*HEADER    ZINC-BINDING PROTEIN                    07-MAY-04   1VYX
*TITLE     SOLUTION STRUCTURE OF THE KSHV K3 N-TERMINAL DOMAIN
*COMPND    MOL_ID: 1;
*COMPND   2 MOLECULE: ORF K3;
*COMPND   3 SYNONYM: K3RING;
*COMPND   4 CHAIN: A;
*COMPND   5 FRAGMENT: RING FINGER, RESIDUES 1-60;
*COMPND   6 ENGINEERED: YES
*SOURCE    MOL_ID: 1;
*SOURCE   2 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
*SOURCE   3 EXPRESSION_SYSTEM_STRAIN: C41;
*SOURCE   4 EXPRESSION_SYSTEM_VECTOR: MODIFIED PRSETA;
*SOURCE   5 ORGANISM_SCIENTIFIC: HUMAN HERPESVIRUS 8;
*SOURCE   6 ORGANISM_COMMON: KAPOSI'S SARCOMA-ASSOCIATED HERPESVIRUS
*KEYWDS    ZINC-BINDING PROTEIN, RING DOMAIN, CROSS-BRACE MOTIF
*EXPDTA    NMR, 28 STRUCTURES
*AUTHOR    R.B.DODD,M.D.ALLEN,S.E.BROWN,C.M.SANDERSON,L.M.DUNCAN,
*AUTHOR  2 P.J.LEHNER,M.BYCROFT,R.J.READ




assi (resi   1  and name HN   ) (resi   1  and name HA   )  4.00  2.20  0.75
assi (resi   1  and name HN   ) (resi   1  and name HE#  )  5.00  3.20  1.00
assi (resi   1  and name HN   ) (resi   1  and name HB#  )  4.00  2.20  0.75
assi (resi   1  and name HN   ) (resi   1  and name HG#  )  5.00  3.20  1.00
assi (resi   1  and name HA   ) (resi   1  and name HE#  )  5.00  3.20  1.00
assi (resi   1  and name HA   ) (resi   1  and name HB#  )  3.00  1.20  0.50
assi (resi   1  and name HA   ) (resi   1  and name HG#  )  5.00  3.20  1.00
assi (resi   1  and name HE#  ) (resi   1  and name HB#  )  4.00  2.20  0.75
assi (resi   1  and name HE#  ) (resi   1  and name HG#  )  5.00  3.20  1.00
assi (resi   1  and name HB#  ) (resi   1  and name HG#  )  4.00  2.20  0.75
assi (resi   2  and name HN   ) (resi   2  and name HA   )  4.00  2.20  0.75
assi (resi   2  and name HN   ) (resi   2  and name HB#  )  3.00  1.20  0.50
assi (resi   2  and name HN   ) (resi   2  and name HG#  )  4.00  2.20  0.75
assi (resi   2  and name HA   ) (resi   2  and name HB#  )  3.00  1.20  0.50
assi (resi   2  and name HA   ) (resi   2  and name HG#  )  4.00  2.20  0.75
assi (resi   2  and name HB#  ) (resi   2  and name HG#  )  3.00  1.20  0.50
assi (resi   3  and name HN   ) (resi   3  and name HA   )  3.00  1.20  0.50
assi (resi   3  and name HN   ) (resi   3  and name HB#  )  3.00  1.20  0.50
assi (resi   3  and name HA   ) (resi   3  and name HB#  )  3.00  1.20  0.50
assi (resi   4  and name HN   ) (resi   4  and name HA   )  3.00  1.20  0.50
assi (resi   4  and name HN   ) (resi   4  and name HB#  )  3.00  1.20  0.50
assi (resi   4  and name HN   ) (resi   4  and name HG#  )  4.00  2.20  0.75
assi (resi   4  and name HA   ) (resi   4  and name HB#  )  3.00  1.20  0.50
assi (resi   4  and name HA   ) (resi   4  and name HG#  )  4.00  2.20  0.75
assi (resi   4  and name HB#  ) (resi   4  and name HG#  )  3.00  1.20  0.50
assi (resi   5  and name HN   ) (resi   5  and name HA   )  3.00  1.20  0.50
assi (resi   5  and name HN   ) (resi   5  and name HB#  )  3.00  1.20  0.50
assi (resi   5  and name HA   ) (resi   5  and name HB#  )  3.00  1.20  0.50
assi (resi   6  and name HN   ) (resi   6  and name HA   )  3.00  1.20  0.50
assi (resi   6  and name HN   ) (resi   6  and name HB   )  3.00  1.20  0.50
assi (resi   6  and name HN   ) (resi   6  and name HG1# )  4.00  2.20  0.75
assi (resi   6  and name HN   ) (resi   6  and name HG2# )  3.00  1.20  0.50
assi (resi   6  and name HA   ) (resi   6  and name HB   )  3.00  1.20  0.50
assi (resi   6  and name HA   ) (resi   6  and name HG1# )  4.00  2.20  0.75
assi (resi   6  and name HA   ) (resi   6  and name HG2# )  4.00  2.20  0.75
assi (resi   6  and name HB   ) (resi   6  and name HG1# )  3.00  1.20  0.50
assi (resi   6  and name HB   ) (resi   6  and name HG2# )  3.00  1.20  0.50
assi (resi   8  and name HN   ) (resi   8  and name HA   )  4.00  2.20  0.75
assi (resi   8  and name HN   ) (resi   8  and name HB   )  4.00  2.20  0.75
assi (resi   8  and name HN   ) (resi   8  and name HG1# )  5.00  3.20  1.00
assi (resi   8  and name HN   ) (resi   8  and name HG2# )  4.00  2.20  0.75
assi (resi   8  and name HA   ) (resi   8  and name HB   )  3.00  1.20  0.50
assi (resi   8  and name HA   ) (resi   8  and name HG1# )  4.00  2.20  0.75
assi (resi   8  and name HA   ) (resi   8  and name HG2# )  4.00  2.20  0.75
assi (resi   8  and name HB   ) (resi   8  and name HG1# )  3.00  1.20  0.50
assi (resi   8  and name HB   ) (resi   8  and name HG2# )  3.00  1.20  0.50
assi (resi   9  and name HN   ) (resi   9  and name HA   )  4.00  2.20  0.75
assi (resi   9  and name HN   ) (resi   9  and name HB1  )  3.00  1.20  0.50
assi (resi   9  and name HN   ) (resi   9  and name HB2  )  3.00  1.20  0.50
assi (resi   9  and name HA   ) (resi   9  and name HB1  )  4.00  2.20  0.75
assi (resi   9  and name HA   ) (resi   9  and name HB2  )  3.00  1.20  0.50
assi (resi  10  and name HN   ) (resi  10  and name HA   )  4.00  2.20  0.75
assi (resi  10  and name HN   ) (resi  10  and name HB1  )  3.00  1.20  0.50
assi (resi  10  and name HN   ) (resi  10  and name HB2  )  4.00  2.20  0.75
assi (resi  10  and name HN   ) (resi  10  and name HD1  )  3.00  1.20  0.50
assi (resi  10  and name HN   ) (resi  10  and name HE3  )  5.00  3.20  1.00
assi (resi  10  and name HA   ) (resi  10  and name HB1  )  3.00  1.20  0.50
assi (resi  10  and name HA   ) (resi  10  and name HB2  )  3.00  1.20  0.50
assi (resi  10  and name HA   ) (resi  10  and name HD1  )  4.00  2.20  0.75
assi (resi  10  and name HA   ) (resi  10  and name HE3  )  4.00  2.20  0.75
assi (resi  10  and name HB1  ) (resi  10  and name HD1  )  3.00  1.20  0.50
assi (resi  10  and name HB1  ) (resi  10  and name HE3  )  4.00  2.20  0.75
assi (resi  10  and name HB2  ) (resi  10  and name HD1  )  4.00  2.20  0.75
assi (resi  10  and name HB2  ) (resi  10  and name HE3  )  3.00  1.20  0.50
assi (resi  11  and name HN   ) (resi  11  and name HA   )  4.00  2.20  0.75
assi (resi  11  and name HN   ) (resi  11  and name HB   )  3.00  1.20  0.50
assi (resi  11  and name HN   ) (resi  11  and name HG11 )  3.00  1.20  0.50
assi (resi  11  and name HN   ) (resi  11  and name HG12 )  4.00  2.20  0.75
assi (resi  11  and name HN   ) (resi  11  and name HG2# )  5.00  3.20  1.00
assi (resi  11  and name HN   ) (resi  11  and name HD1# )  5.00  3.20  1.00
assi (resi  11  and name HA   ) (resi  11  and name HB   )  4.00  2.20  0.75
assi (resi  11  and name HA   ) (resi  11  and name HG11 )  4.00  2.20  0.75
assi (resi  11  and name HA   ) (resi  11  and name HG12 )  4.00  2.20  0.75
assi (resi  11  and name HA   ) (resi  11  and name HG2# )  4.00  2.20  0.75
assi (resi  11  and name HA   ) (resi  11  and name HD1# )  5.00  3.20  1.00
assi (resi  11  and name HB   ) (resi  11  and name HG11 )  4.00  2.20  0.75
assi (resi  11  and name HB   ) (resi  11  and name HG12 )  4.00  2.20  0.75
assi (resi  11  and name HB   ) (resi  11  and name HG2# )  4.00  2.20  0.75
assi (resi  11  and name HB   ) (resi  11  and name HD1# )  5.00  3.20  1.00
assi (resi  11  and name HG11 ) (resi  11  and name HG2# )  5.00  3.20  1.00
assi (resi  11  and name HG11 ) (resi  11  and name HD1# )  4.00  2.20  0.75
assi (resi  11  and name HG12 ) (resi  11  and name HG2# )  5.00  3.20  1.00
assi (resi  11  and name HG12 ) (resi  11  and name HD1# )  4.00  2.20  0.75
assi (resi  11  and name HG2# ) (resi  11  and name HD1# )  5.00  3.20  1.00
assi (resi  12  and name HN   ) (resi  12  and name HA   )  4.00  2.20  0.75
assi (resi  12  and name HN   ) (resi  12  and name HB1  )  4.00  2.20  0.75
assi (resi  12  and name HN   ) (resi  12  and name HB2  )  4.00  2.20  0.75
assi (resi  12  and name HA   ) (resi  12  and name HB1  )  3.00  1.20  0.50
assi (resi  12  and name HA   ) (resi  12  and name HB2  )  3.00  1.20  0.50
assi (resi  13  and name HN   ) (resi  13  and name HA   )  3.00  1.20  0.50
assi (resi  13  and name HN   ) (resi  13  and name HB#  )  4.00  2.20  0.75
assi (resi  13  and name HA   ) (resi  13  and name HB#  )  4.00  2.20  0.75
assi (resi  13  and name HA   ) (resi  13  and name HD2# )  5.00  3.20  1.00
assi (resi  13  and name HB#  ) (resi  13  and name HD2# )  4.00  2.20  0.75
assi (resi  14  and name HN   ) (resi  14  and name HA   )  4.00  2.20  0.75
assi (resi  14  and name HN   ) (resi  14  and name HB#  )  3.00  1.20  0.50
assi (resi  14  and name HN   ) (resi  14  and name HG#  )  4.00  2.20  0.75
assi (resi  14  and name HA   ) (resi  14  and name HB#  )  3.00  1.20  0.50
assi (resi  14  and name HA   ) (resi  14  and name HG#  )  3.00  1.20  0.50
assi (resi  14  and name HB#  ) (resi  14  and name HG#  )  3.00  1.20  0.50
assi (resi  15  and name HN   ) (resi  15  and name HA   )  4.00  2.20  0.75
assi (resi  15  and name HN   ) (resi  15  and name HB#  )  3.00  1.20  0.50
assi (resi  15  and name HN   ) (resi  15  and name HG#  )  4.00  2.20  0.75
assi (resi  15  and name HA   ) (resi  15  and name HB#  )  3.00  1.20  0.50
assi (resi  15  and name HA   ) (resi  15  and name HG#  )  4.00  2.20  0.75
assi (resi  15  and name HB#  ) (resi  15  and name HG#  )  3.00  1.20  0.50
assi (resi  16  and name HN   ) (resi  16  and name HA   )  4.00  2.20  0.75
assi (resi  16  and name HN   ) (resi  16  and name HB1  )  4.00  2.20  0.75
assi (resi  16  and name HN   ) (resi  16  and name HB2  )  4.00  2.20  0.75
assi (resi  16  and name HN   ) (resi  16  and name HG   )  4.00  2.20  0.75
assi (resi  16  and name HN   ) (resi  16  and name HD1# )  5.00  3.20  1.00
assi (resi  16  and name HN   ) (resi  16  and name HD2# )  5.00  3.20  1.00
assi (resi  16  and name HA   ) (resi  16  and name HB1  )  3.00  1.20  0.50
assi (resi  16  and name HA   ) (resi  16  and name HB2  )  4.00  2.20  0.75
assi (resi  16  and name HA   ) (resi  16  and name HG   )  4.00  2.20  0.75
assi (resi  16  and name HA   ) (resi  16  and name HD1# )  5.00  3.20  1.00
assi (resi  16  and name HA   ) (resi  16  and name HD2# )  5.00  3.20  1.00
assi (resi  16  and name HB1  ) (resi  16  and name HG   )  3.00  1.20  0.50
assi (resi  16  and name HB1  ) (resi  16  and name HD1# )  4.00  2.20  0.75
assi (resi  16  and name HB1  ) (resi  16  and name HD2# )  4.00  2.20  0.75
assi (resi  16  and name HB2  ) (resi  16  and name HG   )  3.00  1.20  0.50
assi (resi  16  and name HB2  ) (resi  16  and name HD1# )  4.00  2.20  0.75
assi (resi  16  and name HB2  ) (resi  16  and name HD2# )  4.00  2.20  0.75
assi (resi  16  and name HG   ) (resi  16  and name HD1# )  4.00  2.20  0.75
assi (resi  16  and name HG   ) (resi  16  and name HD2# )  4.00  2.20  0.75
assi (resi  17  and name HN   ) (resi  17  and name HA#  )  3.00  1.20  0.50
assi (resi  18  and name HN   ) (resi  18  and name HA   )  5.00  3.20  1.00
assi (resi  18  and name HN   ) (resi  18  and name HB#  )  4.00  2.20  0.75
assi (resi  18  and name HA   ) (resi  18  and name HB#  )  3.00  1.20  0.50
assi (resi  18  and name HB#  ) (resi  18  and name HD2# )  3.00  1.20  0.50
assi (resi  19  and name HN   ) (resi  19  and name HA   )  4.00  2.20  0.75
assi (resi  19  and name HN   ) (resi  19  and name HB#  )  3.00  1.20  0.50
assi (resi  19  and name HN   ) (resi  19  and name HG#  )  5.00  3.20  1.00
assi (resi  19  and name HA   ) (resi  19  and name HB#  )  3.00  1.20  0.50
assi (resi  19  and name HA   ) (resi  19  and name HG#  )  4.00  2.20  0.75
assi (resi  19  and name HB#  ) (resi  19  and name HG#  )  3.00  1.20  0.50
assi (resi  20  and name HN   ) (resi  20  and name HA   )  3.00  1.20  0.50
assi (resi  20  and name HN   ) (resi  20  and name HB#  )  4.00  2.20  0.75
assi (resi  20  and name HN   ) (resi  20  and name HG#  )  4.00  2.20  0.75
assi (resi  20  and name HA   ) (resi  20  and name HB#  )  4.00  2.20  0.75
assi (resi  20  and name HA   ) (resi  20  and name HG#  )  4.00  2.20  0.75
assi (resi  20  and name HA   ) (resi  20  and name HD#  )  4.00  2.20  0.75
assi (resi  20  and name HE   ) (resi  20  and name HG#  )  5.00  3.20  1.00
assi (resi  20  and name HE   ) (resi  20  and name HD#  )  3.00  1.20  0.50
assi (resi  20  and name HB#  ) (resi  20  and name HG#  )  3.00  1.20  0.50
assi (resi  20  and name HB#  ) (resi  20  and name HD#  )  4.00  2.20  0.75
assi (resi  20  and name HG#  ) (resi  20  and name HD#  )  3.00  1.20  0.50
assi (resi  21  and name HN   ) (resi  21  and name HA   )  4.00  2.20  0.75
assi (resi  21  and name HN   ) (resi  21  and name HB1  )  4.00  2.20  0.75
assi (resi  21  and name HN   ) (resi  21  and name HB2  )  3.00  1.20  0.50
assi (resi  21  and name HN   ) (resi  21  and name HD#  )  4.00  2.20  0.75
assi (resi  21  and name HA   ) (resi  21  and name HB1  )  4.00  2.20  0.75
assi (resi  21  and name HA   ) (resi  21  and name HB2  )  3.00  1.20  0.50
assi (resi  21  and name HA   ) (resi  21  and name HD#  )  3.00  1.20  0.50
assi (resi  21  and name HA   ) (resi  21  and name HE#  )  5.00  3.20  1.00
assi (resi  21  and name HB1  ) (resi  21  and name HD#  )  3.00  1.20  0.50
assi (resi  21  and name HB1  ) (resi  21  and name HE#  )  5.00  3.20  1.00
assi (resi  21  and name HB2  ) (resi  21  and name HD#  )  3.00  1.20  0.50
assi (resi  21  and name HB2  ) (resi  21  and name HE#  )  5.00  3.20  1.00
assi (resi  22  and name HN   ) (resi  22  and name HA   )  4.00  2.20  0.75
assi (resi  22  and name HN   ) (resi  22  and name HB#  )  3.00  1.20  0.50
assi (resi  22  and name HN   ) (resi  22  and name HG#  )  4.00  2.20  0.75
assi (resi  22  and name HA   ) (resi  22  and name HB#  )  4.00  2.20  0.75
assi (resi  22  and name HA   ) (resi  22  and name HG#  )  4.00  2.20  0.75
assi (resi  22  and name HA   ) (resi  22  and name HD#  )  4.00  2.20  0.75
assi (resi  22  and name HE   ) (resi  22  and name HG#  )  4.00  2.20  0.75
assi (resi  22  and name HE   ) (resi  22  and name HD#  )  4.00  2.20  0.75
assi (resi  22  and name HB#  ) (resi  22  and name HG#  )  3.00  1.20  0.50
assi (resi  22  and name HB#  ) (resi  22  and name HD#  )  4.00  2.20  0.75
assi (resi  22  and name HG#  ) (resi  22  and name HD#  )  3.00  1.20  0.50
assi (resi  23  and name HN   ) (resi  23  and name HA   )  4.00  2.20  0.75
assi (resi  23  and name HN   ) (resi  23  and name HB#  )  4.00  2.20  0.75
assi (resi  23  and name HA   ) (resi  23  and name HB#  )  4.00  2.20  0.75
assi (resi  24  and name HN   ) (resi  24  and name HA   )  4.00  2.20  0.75
assi (resi  24  and name HN   ) (resi  24  and name HB1  )  4.00  2.20  0.75
assi (resi  24  and name HN   ) (resi  24  and name HB2  )  4.00  2.20  0.75
assi (resi  24  and name HA   ) (resi  24  and name HB1  )  4.00  2.20  0.75
assi (resi  24  and name HA   ) (resi  24  and name HB2  )  3.00  1.20  0.50
assi (resi  25  and name HN   ) (resi  25  and name HA#  )  4.00  2.20  0.75
assi (resi  26  and name HN   ) (resi  26  and name HA   )  4.00  2.20  0.75
assi (resi  26  and name HN   ) (resi  26  and name HB1  )  4.00  2.20  0.75
assi (resi  26  and name HN   ) (resi  26  and name HB2  )  3.00  1.20  0.50
assi (resi  26  and name HA   ) (resi  26  and name HB1  )  3.00  1.20  0.50
assi (resi  26  and name HA   ) (resi  26  and name HB2  )  4.00  2.20  0.75
assi (resi  27  and name HN   ) (resi  27  and name HA   )  4.00  2.20  0.75
assi (resi  27  and name HN   ) (resi  27  and name HB   )  4.00  2.20  0.75
assi (resi  27  and name HN   ) (resi  27  and name HG2# )  4.00  2.20  0.75
assi (resi  27  and name HA   ) (resi  27  and name HB   )  4.00  2.20  0.75
assi (resi  27  and name HA   ) (resi  27  and name HG2# )  4.00  2.20  0.75
assi (resi  27  and name HB   ) (resi  27  and name HG2# )  4.00  2.20  0.75
assi (resi  28  and name HN   ) (resi  28  and name HA#  )  4.00  2.20  0.75
assi (resi  29  and name HN   ) (resi  29  and name HA   )  4.00  2.20  0.75
assi (resi  29  and name HN   ) (resi  29  and name HB#  )  3.00  1.20  0.50
assi (resi  29  and name HN   ) (resi  29  and name HG#  )  4.00  2.20  0.75
assi (resi  29  and name HA   ) (resi  29  and name HB#  )  3.00  1.20  0.50
assi (resi  29  and name HA   ) (resi  29  and name HG#  )  4.00  2.20  0.75
assi (resi  29  and name HB#  ) (resi  29  and name HG#  )  3.00  1.20  0.50
assi (resi  30  and name HN   ) (resi  30  and name HA   )  4.00  2.20  0.75
assi (resi  30  and name HN   ) (resi  30  and name HG   )  4.00  2.20  0.75
assi (resi  30  and name HN   ) (resi  30  and name HD1# )  5.00  3.20  1.00
assi (resi  30  and name HN   ) (resi  30  and name HD2# )  5.00  3.20  1.00
assi (resi  30  and name HN   ) (resi  30  and name HB#  )  3.00  1.20  0.50
assi (resi  30  and name HA   ) (resi  30  and name HG   )  4.00  2.20  0.75
assi (resi  30  and name HA   ) (resi  30  and name HD1# )  5.00  3.20  1.00
assi (resi  30  and name HA   ) (resi  30  and name HD2# )  4.00  2.20  0.75
assi (resi  30  and name HA   ) (resi  30  and name HB#  )  4.00  2.20  0.75
assi (resi  30  and name HG   ) (resi  30  and name HD1# )  4.00  2.20  0.75
assi (resi  30  and name HG   ) (resi  30  and name HD2# )  4.00  2.20  0.75
assi (resi  30  and name HG   ) (resi  30  and name HB#  )  3.00  1.20  0.50
assi (resi  30  and name HD1# ) (resi  30  and name HB#  )  4.00  2.20  0.75
assi (resi  30  and name HD2# ) (resi  30  and name HB#  )  4.00  2.20  0.75
assi (resi  31  and name HN   ) (resi  31  and name HA   )  4.00  2.20  0.75
assi (resi  31  and name HN   ) (resi  31  and name HB#  )  4.00  2.20  0.75
assi (resi  31  and name HN   ) (resi  31  and name HG#  )  4.00  2.20  0.75
assi (resi  31  and name HA   ) (resi  31  and name HB#  )  4.00  2.20  0.75
assi (resi  31  and name HA   ) (resi  31  and name HG#  )  3.00  1.20  0.50
assi (resi  31  and name HB#  ) (resi  31  and name HG#  )  3.00  1.20  0.50
assi (resi  32  and name HN   ) (resi  32  and name HA   )  4.00  2.20  0.75
assi (resi  32  and name HN   ) (resi  32  and name HB1  )  4.00  2.20  0.75
assi (resi  32  and name HN   ) (resi  32  and name HB2  )  3.00  1.20  0.50
assi (resi  32  and name HN   ) (resi  32  and name HD2# )  3.00  1.20  0.50
assi (resi  32  and name HA   ) (resi  32  and name HB1  )  3.00  1.20  0.50
assi (resi  32  and name HA   ) (resi  32  and name HB2  )  4.00  2.20  0.75
assi (resi  32  and name HA   ) (resi  32  and name HD2# )  5.00  3.20  1.00
assi (resi  32  and name HB1  ) (resi  32  and name HD2# )  4.00  2.20  0.75
assi (resi  32  and name HB2  ) (resi  32  and name HD2# )  4.00  2.20  0.75
assi (resi  33  and name HN   ) (resi  33  and name HA   )  4.00  2.20  0.75
assi (resi  33  and name HN   ) (resi  33  and name HB   )  3.00  1.20  0.50
assi (resi  33  and name HN   ) (resi  33  and name HG1# )  4.00  2.20  0.75
assi (resi  33  and name HN   ) (resi  33  and name HG2# )  5.00  3.20  1.00
assi (resi  33  and name HA   ) (resi  33  and name HB   )  4.00  2.20  0.75
assi (resi  33  and name HA   ) (resi  33  and name HG1# )  5.00  3.20  1.00
assi (resi  33  and name HA   ) (resi  33  and name HG2# )  4.00  2.20  0.75
assi (resi  33  and name HB   ) (resi  33  and name HG1# )  3.00  1.20  0.50
assi (resi  33  and name HB   ) (resi  33  and name HG2# )  3.00  1.20  0.50
assi (resi  34  and name HN   ) (resi  34  and name HA   )  4.00  2.20  0.75
assi (resi  34  and name HN   ) (resi  34  and name HB1  )  4.00  2.20  0.75
assi (resi  34  and name HN   ) (resi  34  and name HB2  )  4.00  2.20  0.75
assi (resi  34  and name HA   ) (resi  34  and name HB1  )  4.00  2.20  0.75
assi (resi  34  and name HA   ) (resi  34  and name HB2  )  5.00  3.20  1.00
assi (resi  34  and name HA   ) (resi  34  and name HD2  )  4.00  2.20  0.75
assi (resi  34  and name HB1  ) (resi  34  and name HD2  )  4.00  2.20  0.75
assi (resi  34  and name HB2  ) (resi  34  and name HD2  )  4.00  2.20  0.75
assi (resi  35  and name HN   ) (resi  35  and name HA   )  4.00  2.20  0.75
assi (resi  35  and name HN   ) (resi  35  and name HB1  )  3.00  1.20  0.50
assi (resi  35  and name HN   ) (resi  35  and name HB2  )  3.00  1.20  0.50
assi (resi  35  and name HN   ) (resi  35  and name HG#  )  5.00  3.20  1.00
assi (resi  35  and name HN   ) (resi  35  and name HD#  )  5.00  3.20  1.00
assi (resi  35  and name HA   ) (resi  35  and name HB1  )  4.00  2.20  0.75
assi (resi  35  and name HA   ) (resi  35  and name HB2  )  3.00  1.20  0.50
assi (resi  35  and name HA   ) (resi  35  and name HG#  )  4.00  2.20  0.75
assi (resi  35  and name HA   ) (resi  35  and name HD#  )  4.00  2.20  0.75
assi (resi  35  and name HE   ) (resi  35  and name HG#  )  4.00  2.20  0.75
assi (resi  35  and name HB1  ) (resi  35  and name HG#  )  3.00  1.20  0.50
assi (resi  35  and name HB1  ) (resi  35  and name HD#  )  3.00  1.20  0.50
assi (resi  35  and name HB2  ) (resi  35  and name HG#  )  4.00  2.20  0.75
assi (resi  35  and name HB2  ) (resi  35  and name HD#  )  4.00  2.20  0.75
assi (resi  35  and name HE   ) (resi  35  and name HD#  )  4.00  2.20  0.75
assi (resi  35  and name HG#  ) (resi  35  and name HD#  )  3.00  1.20  0.50
assi (resi  36  and name HN   ) (resi  36  and name HA   )  4.00  2.20  0.75
assi (resi  36  and name HN   ) (resi  36  and name HB#  )  4.00  2.20  0.75
assi (resi  36  and name HA   ) (resi  36  and name HB#  )  3.00  1.20  0.50
assi (resi  37  and name HN   ) (resi  37  and name HA   )  4.00  2.20  0.75
assi (resi  37  and name HN   ) (resi  37  and name HB1  )  3.00  1.20  0.50
assi (resi  37  and name HN   ) (resi  37  and name HB2  )  4.00  2.20  0.75
assi (resi  37  and name HA   ) (resi  37  and name HB1  )  4.00  2.20  0.75
assi (resi  37  and name HA   ) (resi  37  and name HB2  )  4.00  2.20  0.75
assi (resi  38  and name HN   ) (resi  38  and name HA   )  3.00  1.20  0.50
assi (resi  38  and name HN   ) (resi  38  and name HB1  )  3.00  1.20  0.50
assi (resi  38  and name HN   ) (resi  38  and name HB2  )  4.00  2.20  0.75
assi (resi  38  and name HN   ) (resi  38  and name HG   )  4.00  2.20  0.75
assi (resi  38  and name HN   ) (resi  38  and name HD1# )  5.00  3.20  1.00
assi (resi  38  and name HN   ) (resi  38  and name HD2# )  5.00  3.20  1.00
assi (resi  38  and name HA   ) (resi  38  and name HB1  )  4.00  2.20  0.75
assi (resi  38  and name HA   ) (resi  38  and name HB2  )  4.00  2.20  0.75
assi (resi  38  and name HA   ) (resi  38  and name HG   )  4.00  2.20  0.75
assi (resi  38  and name HA   ) (resi  38  and name HD1# )  4.00  2.20  0.75
assi (resi  38  and name HA   ) (resi  38  and name HD2# )  4.00  2.20  0.75
assi (resi  38  and name HB1  ) (resi  38  and name HG   )  3.00  1.20  0.50
assi (resi  38  and name HB1  ) (resi  38  and name HD1# )  4.00  2.20  0.75
assi (resi  38  and name HB1  ) (resi  38  and name HD2# )  4.00  2.20  0.75
assi (resi  38  and name HB2  ) (resi  38  and name HG   )  3.00  1.20  0.50
assi (resi  38  and name HB2  ) (resi  38  and name HD1# )  4.00  2.20  0.75
assi (resi  38  and name HB2  ) (resi  38  and name HD2# )  4.00  2.20  0.75
assi (resi  38  and name HG   ) (resi  38  and name HD1# )  4.00  2.20  0.75
assi (resi  38  and name HG   ) (resi  38  and name HD2# )  4.00  2.20  0.75
assi (resi  39  and name HN   ) (resi  39  and name HA   )  3.00  1.20  0.50
assi (resi  39  and name HN   ) (resi  39  and name HB#  )  3.00  1.20  0.50
assi (resi  39  and name HA   ) (resi  39  and name HB#  )  3.00  1.20  0.50
assi (resi  40  and name HN   ) (resi  40  and name HA   )  3.00  1.20  0.50
assi (resi  40  and name HN   ) (resi  40  and name HB   )  4.00  2.20  0.75
assi (resi  40  and name HN   ) (resi  40  and name HG2# )  5.00  3.20  1.00
assi (resi  40  and name HA   ) (resi  40  and name HB   )  4.00  2.20  0.75
assi (resi  40  and name HA   ) (resi  40  and name HG2# )  4.00  2.20  0.75
assi (resi  40  and name HB   ) (resi  40  and name HG2# )  4.00  2.20  0.75
assi (resi  41  and name HN   ) (resi  41  and name HA   )  4.00  2.20  0.75
assi (resi  41  and name HN   ) (resi  41  and name HB1  )  3.00  1.20  0.50
assi (resi  41  and name HN   ) (resi  41  and name HB2  )  3.00  1.20  0.50
assi (resi  41  and name HN   ) (resi  41  and name HD1  )  5.00  3.20  1.00
assi (resi  41  and name HN   ) (resi  41  and name HE3  )  5.00  3.20  1.00
assi (resi  41  and name HA   ) (resi  41  and name HB1  )  5.00  3.20  1.00
assi (resi  41  and name HA   ) (resi  41  and name HB2  )  4.00  2.20  0.75
assi (resi  41  and name HA   ) (resi  41  and name HD1  )  4.00  2.20  0.75
assi (resi  41  and name HA   ) (resi  41  and name HE3  )  5.00  3.20  1.00
assi (resi  41  and name HB1  ) (resi  41  and name HD1  )  4.00  2.20  0.75
assi (resi  41  and name HB1  ) (resi  41  and name HE3  )  4.00  2.20  0.75
assi (resi  41  and name HB2  ) (resi  41  and name HD1  )  3.00  1.20  0.50
assi (resi  41  and name HB2  ) (resi  41  and name HE3  )  4.00  2.20  0.75
assi (resi  42  and name HN   ) (resi  42  and name HA   )  4.00  2.20  0.75
assi (resi  42  and name HN   ) (resi  42  and name HB1  )  3.00  1.20  0.50
assi (resi  42  and name HN   ) (resi  42  and name HB2  )  4.00  2.20  0.75
assi (resi  42  and name HN   ) (resi  42  and name HG   )  3.00  1.20  0.50
assi (resi  42  and name HN   ) (resi  42  and name HD1# )  5.00  3.20  1.00
assi (resi  42  and name HN   ) (resi  42  and name HD2# )  5.00  3.20  1.00
assi (resi  42  and name HA   ) (resi  42  and name HB1  )  4.00  2.20  0.75
assi (resi  42  and name HA   ) (resi  42  and name HB2  )  4.00  2.20  0.75
assi (resi  42  and name HA   ) (resi  42  and name HG   )  4.00  2.20  0.75
assi (resi  42  and name HA   ) (resi  42  and name HD1# )  5.00  3.20  1.00
assi (resi  42  and name HA   ) (resi  42  and name HD2# )  5.00  3.20  1.00
assi (resi  42  and name HB1  ) (resi  42  and name HG   )  3.00  1.20  0.50
assi (resi  42  and name HB1  ) (resi  42  and name HD1# )  4.00  2.20  0.75
assi (resi  42  and name HB1  ) (resi  42  and name HD2# )  4.00  2.20  0.75
assi (resi  42  and name HB2  ) (resi  42  and name HG   )  4.00  2.20  0.75
assi (resi  42  and name HB2  ) (resi  42  and name HD1# )  4.00  2.20  0.75
assi (resi  42  and name HB2  ) (resi  42  and name HD2# )  4.00  2.20  0.75
assi (resi  42  and name HG   ) (resi  42  and name HD1# )  4.00  2.20  0.75
assi (resi  42  and name HG   ) (resi  42  and name HD2# )  3.00  1.20  0.50
assi (resi  43  and name HN   ) (resi  43  and name HA   )  3.00  1.20  0.50
assi (resi  43  and name HN   ) (resi  43  and name HB   )  3.00  1.20  0.50
assi (resi  43  and name HN   ) (resi  43  and name HG2# )  4.00  2.20  0.75
assi (resi  43  and name HA   ) (resi  43  and name HB   )  4.00  2.20  0.75
assi (resi  43  and name HA   ) (resi  43  and name HG2# )  3.00  1.20  0.50
assi (resi  43  and name HB   ) (resi  43  and name HG2# )  4.00  2.20  0.75
assi (resi  44  and name HN   ) (resi  44  and name HA   )  3.00  1.20  0.50
assi (resi  44  and name HN   ) (resi  44  and name HB   )  3.00  1.20  0.50
assi (resi  44  and name HN   ) (resi  44  and name HG2# )  4.00  2.20  0.75
assi (resi  44  and name HN   ) (resi  44  and name HG1# )  4.00  2.20  0.75
assi (resi  44  and name HA   ) (resi  44  and name HB   )  3.00  1.20  0.50
assi (resi  44  and name HA   ) (resi  44  and name HG2# )  4.00  2.20  0.75
assi (resi  44  and name HA   ) (resi  44  and name HG1# )  3.00  1.20  0.50
assi (resi  44  and name HB   ) (resi  44  and name HG2# )  3.00  1.20  0.50
assi (resi  44  and name HB   ) (resi  44  and name HD1# )  3.00  1.20  0.50
assi (resi  44  and name HB   ) (resi  44  and name HG1# )  3.00  1.20  0.50
assi (resi  44  and name HG2# ) (resi  44  and name HG1# )  3.00  1.20  0.50
assi (resi  44  and name HD1# ) (resi  44  and name HG1# )  3.00  1.20  0.50
assi (resi  45  and name HN   ) (resi  45  and name HA   )  4.00  2.20  0.75
assi (resi  45  and name HN   ) (resi  45  and name HB#  )  4.00  2.20  0.75
assi (resi  45  and name HA   ) (resi  45  and name HB#  )  3.00  1.20  0.50
assi (resi  46  and name HN   ) (resi  46  and name HA   )  3.00  1.20  0.50
assi (resi  46  and name HN   ) (resi  46  and name HB#  )  4.00  2.20  0.75
assi (resi  46  and name HN   ) (resi  46  and name HG#  )  4.00  2.20  0.75
assi (resi  46  and name HN   ) (resi  46  and name HD#  )  5.00  3.20  1.00
assi (resi  46  and name HA   ) (resi  46  and name HB#  )  3.00  1.20  0.50
assi (resi  46  and name HA   ) (resi  46  and name HG#  )  3.00  1.20  0.50
assi (resi  46  and name HA   ) (resi  46  and name HD#  )  4.00  2.20  0.75
assi (resi  46  and name HE   ) (resi  46  and name HD#  )  5.00  3.20  1.00
assi (resi  46  and name HB#  ) (resi  46  and name HG#  )  3.00  1.20  0.50
assi (resi  46  and name HB#  ) (resi  46  and name HD#  )  3.00  1.20  0.50
assi (resi  46  and name HG#  ) (resi  46  and name HD#  )  3.00  1.20  0.50
assi (resi  47  and name HN   ) (resi  47  and name HA   )  4.00  2.20  0.75
assi (resi  47  and name HN   ) (resi  47  and name HB1  )  4.00  2.20  0.75
assi (resi  47  and name HN   ) (resi  47  and name HB2  )  3.00  1.20  0.50
assi (resi  47  and name HA   ) (resi  47  and name HB1  )  3.00  1.20  0.50
assi (resi  47  and name HA   ) (resi  47  and name HB2  )  4.00  2.20  0.75
assi (resi  47  and name HB1  ) (resi  47  and name HD2# )  3.00  1.20  0.50
assi (resi  47  and name HB2  ) (resi  47  and name HD2# )  3.00  1.20  0.50
assi (resi  48  and name HN   ) (resi  48  and name HA   )  4.00  2.20  0.75
assi (resi  48  and name HN   ) (resi  48  and name HB   )  5.00  3.20  1.00
assi (resi  48  and name HN   ) (resi  48  and name HG2# )  5.00  3.20  1.00
assi (resi  48  and name HA   ) (resi  48  and name HB   )  5.00  3.20  1.00
assi (resi  48  and name HA   ) (resi  48  and name HG2# )  4.00  2.20  0.75
assi (resi  48  and name HB   ) (resi  48  and name HG2# )  3.00  1.20  0.50
assi (resi  49  and name HN   ) (resi  49  and name HA   )  4.00  2.20  0.75
assi (resi  49  and name HN   ) (resi  49  and name HB#  )  4.00  2.20  0.75
assi (resi  49  and name HA   ) (resi  49  and name HB#  )  4.00  2.20  0.75
assi (resi  50  and name HN   ) (resi  50  and name HA   )  4.00  2.20  0.75
assi (resi  50  and name HN   ) (resi  50  and name HB1  )  3.00  1.20  0.50
assi (resi  50  and name HN   ) (resi  50  and name HB2  )  3.00  1.20  0.50
assi (resi  50  and name HA   ) (resi  50  and name HB1  )  4.00  2.20  0.75
assi (resi  50  and name HA   ) (resi  50  and name HB2  )  4.00  2.20  0.75
assi (resi  51  and name HN   ) (resi  51  and name HA   )  4.00  2.20  0.75
assi (resi  51  and name HN   ) (resi  51  and name HB#  )  3.00  1.20  0.50
assi (resi  51  and name HN   ) (resi  51  and name HG#  )  3.00  1.20  0.50
assi (resi  51  and name HA   ) (resi  51  and name HB#  )  3.00  1.20  0.50
assi (resi  51  and name HA   ) (resi  51  and name HG#  )  4.00  2.20  0.75
assi (resi  51  and name HB#  ) (resi  51  and name HG#  )  3.00  1.20  0.50
assi (resi  51  and name HG#  ) (resi  51  and name HE2# )  3.00  1.20  0.50
assi (resi  52  and name HN   ) (resi  52  and name HA   )  4.00  2.20  0.75
assi (resi  52  and name HN   ) (resi  52  and name HB   )  3.00  1.20  0.50
assi (resi  52  and name HN   ) (resi  52  and name HG2# )  5.00  3.20  1.00
assi (resi  52  and name HN   ) (resi  52  and name HD1# )  5.00  3.20  1.00
assi (resi  52  and name HN   ) (resi  52  and name HG1# )  4.00  2.20  0.75
assi (resi  52  and name HA   ) (resi  52  and name HB   )  4.00  2.20  0.75
assi (resi  52  and name HA   ) (resi  52  and name HG2# )  3.00  1.20  0.50
assi (resi  52  and name HA   ) (resi  52  and name HD1# )  4.00  2.20  0.75
assi (resi  52  and name HA   ) (resi  52  and name HG1# )  3.00  1.20  0.50
assi (resi  52  and name HB   ) (resi  52  and name HG2# )  3.00  1.20  0.50
assi (resi  52  and name HB   ) (resi  52  and name HD1# )  4.00  2.20  0.75
assi (resi  52  and name HB   ) (resi  52  and name HG1# )  3.00  1.20  0.50
assi (resi  52  and name HG2# ) (resi  52  and name HD1# )  5.00  3.20  1.00
assi (resi  52  and name HG2# ) (resi  52  and name HG1# )  4.00  2.20  0.75
assi (resi  52  and name HD1# ) (resi  52  and name HG1# )  4.00  2.20  0.75
assi (resi  53  and name HN   ) (resi  53  and name HA   )  4.00  2.20  0.75
assi (resi  53  and name HN   ) (resi  53  and name HB1  )  4.00  2.20  0.75
assi (resi  53  and name HN   ) (resi  53  and name HB2  )  4.00  2.20  0.75
assi (resi  53  and name HA   ) (resi  53  and name HB1  )  3.00  1.20  0.50
assi (resi  53  and name HA   ) (resi  53  and name HB2  )  3.00  1.20  0.50
assi (resi  54  and name HN   ) (resi  54  and name HA#  )  3.00  1.20  0.50
assi (resi  55  and name HN   ) (resi  55  and name HA   )  4.00  2.20  0.75
assi (resi  55  and name HN   ) (resi  55  and name HB   )  3.00  1.20  0.50
assi (resi  55  and name HN   ) (resi  55  and name HG1# )  5.00  3.20  1.00
assi (resi  55  and name HN   ) (resi  55  and name HG2# )  3.00  1.20  0.50
assi (resi  55  and name HA   ) (resi  55  and name HB   )  4.00  2.20  0.75
assi (resi  55  and name HA   ) (resi  55  and name HG1# )  3.00  1.20  0.50
assi (resi  55  and name HA   ) (resi  55  and name HG2# )  3.00  1.20  0.50
assi (resi  55  and name HB   ) (resi  55  and name HG1# )  3.00  1.20  0.50
assi (resi  55  and name HB   ) (resi  55  and name HG2# )  3.00  1.20  0.50
assi (resi  56  and name HN   ) (resi  56  and name HA   )  4.00  2.20  0.75
assi (resi  56  and name HN   ) (resi  56  and name HB   )  3.00  1.20  0.50
assi (resi  56  and name HN   ) (resi  56  and name HG1# )  5.00  3.20  1.00
assi (resi  56  and name HN   ) (resi  56  and name HG2# )  3.00  1.20  0.50
assi (resi  56  and name HA   ) (resi  56  and name HB   )  3.00  1.20  0.50
assi (resi  56  and name HA   ) (resi  56  and name HG1# )  4.00  2.20  0.75
assi (resi  56  and name HA   ) (resi  56  and name HG2# )  3.00  1.20  0.50
assi (resi  56  and name HB   ) (resi  56  and name HG1# )  3.00  1.20  0.50
assi (resi  56  and name HB   ) (resi  56  and name HG2# )  3.00  1.20  0.50
assi (resi  57  and name HN   ) (resi  57  and name HA   )  4.00  2.20  0.75
assi (resi  57  and name HN   ) (resi  57  and name HB1  )  4.00  2.20  0.75
assi (resi  57  and name HN   ) (resi  57  and name HB2  )  4.00  2.20  0.75
assi (resi  57  and name HN   ) (resi  57  and name HD#  )  3.00  1.20  0.50
assi (resi  57  and name HN   ) (resi  57  and name HE#  )  4.00  2.20  0.75
assi (resi  57  and name HA   ) (resi  57  and name HB1  )  4.00  2.20  0.75
assi (resi  57  and name HA   ) (resi  57  and name HB2  )  4.00  2.20  0.75
assi (resi  57  and name HA   ) (resi  57  and name HD#  )  3.00  1.20  0.50
assi (resi  57  and name HA   ) (resi  57  and name HE#  )  5.00  3.20  1.00
assi (resi  57  and name HB1  ) (resi  57  and name HD#  )  3.00  1.20  0.50
assi (resi  57  and name HB1  ) (resi  57  and name HE#  )  5.00  3.20  1.00
assi (resi  57  and name HB2  ) (resi  57  and name HD#  )  3.00  1.20  0.50
assi (resi  57  and name HB2  ) (resi  57  and name HE#  )  5.00  3.20  1.00
assi (resi  58  and name HN   ) (resi  58  and name HA   )  4.00  2.20  0.75
assi (resi  58  and name HN   ) (resi  58  and name HB#  )  4.00  2.20  0.75
assi (resi  58  and name HA   ) (resi  58  and name HB#  )  4.00  2.20  0.75
assi (resi  58  and name HB#  ) (resi  58  and name HD2# )  3.00  1.20  0.50
assi (resi  59  and name HN   ) (resi  59  and name HA   )  4.00  2.20  0.75
assi (resi  59  and name HN   ) (resi  59  and name HB   )  4.00  2.20  0.75
assi (resi  59  and name HN   ) (resi  59  and name HG2# )  5.00  3.20  1.00
assi (resi  59  and name HA   ) (resi  59  and name HB   )  5.00  3.20  1.00
assi (resi  59  and name HA   ) (resi  59  and name HG2# )  4.00  2.20  0.75
assi (resi  59  and name HB   ) (resi  59  and name HG2# )  4.00  2.20  0.75
assi (resi  60  and name HN   ) (resi  60  and name HA   )  3.00  1.20  0.50
assi (resi  60  and name HN   ) (resi  60  and name HB#  )  4.00  2.20  0.75
assi (resi  60  and name HN   ) (resi  60  and name HG#  )  4.00  2.20  0.75
assi (resi  60  and name HA   ) (resi  60  and name HB#  )  4.00  2.20  0.75
assi (resi  60  and name HA   ) (resi  60  and name HG#  )  4.00  2.20  0.75
assi (resi  60  and name HA   ) (resi  60  and name HD#  )  5.00  3.20  1.00
assi (resi  60  and name HE   ) (resi  60  and name HG#  )  4.00  2.20  0.75
assi (resi  60  and name HE   ) (resi  60  and name HD#  )  4.00  2.20  0.75
assi (resi  60  and name HB#  ) (resi  60  and name HG#  )  3.00  1.20  0.50
assi (resi  60  and name HB#  ) (resi  60  and name HD#  )  4.00  2.20  0.75
assi (resi  60  and name HG#  ) (resi  60  and name HD#  )  3.00  1.20  0.50
assi (resi   1  and name HN   ) (resi   2  and name HN   )  5.00  3.20  1.00
assi (resi   1  and name HA   ) (resi   2  and name HN   )  3.00  1.20  0.50
assi (resi   1  and name HB#  ) (resi   2  and name HN   )  4.00  2.20  0.75
assi (resi   1  and name HG#  ) (resi   2  and name HN   )  5.00  3.20  1.00
assi (resi   2  and name HN   ) (resi   3  and name HN   )  4.00  2.20  0.75
assi (resi   2  and name HA   ) (resi   3  and name HN   )  3.00  1.20  0.50
assi (resi   2  and name HB#  ) (resi   3  and name HN   )  3.00  1.20  0.50
assi (resi   3  and name HA   ) (resi   4  and name HN   )  3.00  1.20  0.50
assi (resi   3  and name HA   ) (resi   4  and name HG#  )  4.00  2.20  0.75
assi (resi   3  and name HB#  ) (resi   4  and name HN   )  3.00  1.20  0.50
assi (resi   4  and name HN   ) (resi   5  and name HN   )  4.00  2.20  0.75
assi (resi   4  and name HA   ) (resi   5  and name HN   )  4.00  2.20  0.75
assi (resi   4  and name HB#  ) (resi   5  and name HN   )  3.00  1.20  0.50
assi (resi   4  and name HG#  ) (resi   5  and name HN   )  4.00  2.20  0.75
assi (resi   5  and name HN   ) (resi   6  and name HN   )  4.00  2.20  0.75
assi (resi   5  and name HA   ) (resi   6  and name HN   )  3.00  1.20  0.50
assi (resi   5  and name HA   ) (resi   6  and name HB   )  4.00  2.20  0.75
assi (resi   5  and name HA   ) (resi   6  and name HG2# )  5.00  3.20  1.00
assi (resi   5  and name HB#  ) (resi   6  and name HN   )  4.00  2.20  0.75
assi (resi   6  and name HN   ) (resi   7  and name HD#  )  5.00  3.20  1.00
assi (resi   6  and name HA   ) (resi   7  and name HD#  )  3.00  1.20  0.50
assi (resi   6  and name HB   ) (resi   7  and name HD#  )  4.00  2.20  0.75
assi (resi   6  and name HG1# ) (resi   7  and name HD#  )  4.00  2.20  0.75
assi (resi   6  and name HG2# ) (resi   7  and name HD#  )  5.00  3.20  1.00
assi (resi   7  and name HA   ) (resi   8  and name HN   )  3.00  1.20  0.50
assi (resi   7  and name HB#  ) (resi   8  and name HN   )  3.00  1.20  0.50
assi (resi   7  and name HG#  ) (resi   8  and name HN   )  4.00  2.20  0.75
assi (resi   8  and name HA   ) (resi   9  and name HN   )  3.00  1.20  0.50
assi (resi   8  and name HB   ) (resi   9  and name HN   )  4.00  2.20  0.75
assi (resi   8  and name HG1# ) (resi   9  and name HN   )  4.00  2.20  0.75
assi (resi   8  and name HG2# ) (resi   9  and name HN   )  5.00  3.20  1.00
assi (resi   9  and name HN   ) (resi  10  and name HN   )  5.00  3.20  1.00
assi (resi   9  and name HA   ) (resi  10  and name HN   )  3.00  1.20  0.50
assi (resi   9  and name HA   ) (resi  10  and name HD1  )  5.00  3.20  1.00
assi (resi   9  and name HB1  ) (resi  10  and name HN   )  4.00  2.20  0.75
assi (resi   9  and name HB2  ) (resi  10  and name HN   )  4.00  2.20  0.75
assi (resi  10  and name HN   ) (resi  11  and name HN   )  3.00  1.20  0.50
assi (resi  10  and name HN   ) (resi  11  and name HG11 )  5.00  3.20  1.00
assi (resi  10  and name HA   ) (resi  11  and name HN   )  4.00  2.20  0.75
assi (resi  10  and name HB1  ) (resi  11  and name HN   )  4.00  2.20  0.75
assi (resi  10  and name HB2  ) (resi  11  and name HN   )  4.00  2.20  0.75
assi (resi  10  and name HD1  ) (resi  11  and name HN   )  5.00  3.20  1.00
assi (resi  10  and name HE3  ) (resi  11  and name HA   )  3.00  1.20  0.50
assi (resi  10  and name HE3  ) (resi  11  and name HG11 )  5.00  3.20  1.00
assi (resi  10  and name HE3  ) (resi  11  and name HG12 )  5.00  3.20  1.00
assi (resi  10  and name HE3  ) (resi  11  and name HD1# )  5.00  3.20  1.00
assi (resi  10  and name HZ2  ) (resi  11  and name HD1# )  5.00  3.20  1.00
assi (resi  10  and name HZ3  ) (resi  11  and name HA   )  5.00  3.20  1.00
assi (resi  10  and name HZ3  ) (resi  11  and name HG11 )  5.00  3.20  1.00
assi (resi  10  and name HZ3  ) (resi  11  and name HG12 )  5.00  3.20  1.00
assi (resi  10  and name HZ3  ) (resi  11  and name HD1# )  5.00  3.20  1.00
assi (resi  10  and name HH2  ) (resi  11  and name HD1# )  5.00  3.20  1.00
assi (resi  11  and name HN   ) (resi  12  and name HN   )  3.00  1.20  0.50
assi (resi  11  and name HN   ) (resi  12  and name HB1  )  5.00  3.20  1.00
assi (resi  11  and name HA   ) (resi  12  and name HN   )  4.00  2.20  0.75
assi (resi  11  and name HB   ) (resi  12  and name HN   )  3.00  1.20  0.50
assi (resi  11  and name HB   ) (resi  12  and name HB1  )  5.00  3.20  1.00
assi (resi  11  and name HG11 ) (resi  12  and name HN   )  5.00  3.20  1.00
assi (resi  11  and name HG12 ) (resi  12  and name HN   )  5.00  3.20  1.00
assi (resi  11  and name HG2# ) (resi  12  and name HN   )  4.00  2.20  0.75
assi (resi  11  and name HG2# ) (resi  12  and name HB1  )  5.00  3.20  1.00
assi (resi  11  and name HG2# ) (resi  12  and name HB2  )  5.00  3.20  1.00
assi (resi  12  and name HN   ) (resi  13  and name HN   )  3.00  1.20  0.50
assi (resi  12  and name HA   ) (resi  13  and name HN   )  4.00  2.20  0.75
assi (resi  12  and name HB1  ) (resi  13  and name HN   )  5.00  3.20  1.00
assi (resi  12  and name HB2  ) (resi  13  and name HN   )  4.00  2.20  0.75
assi (resi  13  and name HN   ) (resi  14  and name HN   )  3.00  1.20  0.50
assi (resi  13  and name HA   ) (resi  14  and name HN   )  4.00  2.20  0.75
assi (resi  13  and name HB#  ) (resi  14  and name HN   )  5.00  3.20  1.00
assi (resi  14  and name HN   ) (resi  15  and name HN   )  5.00  3.20  1.00
assi (resi  14  and name HA   ) (resi  15  and name HN   )  3.00  1.20  0.50
assi (resi  14  and name HB#  ) (resi  15  and name HN   )  4.00  2.20  0.75
assi (resi  14  and name HG#  ) (resi  15  and name HN   )  3.00  1.20  0.50
assi (resi  14  and name HG#  ) (resi  15  and name HA   )  4.00  2.20  0.75
assi (resi  15  and name HN   ) (resi  16  and name HN   )  5.00  3.20  1.00
assi (resi  15  and name HA   ) (resi  16  and name HN   )  3.00  1.20  0.50
assi (resi  15  and name HA   ) (resi  16  and name HD1# )  5.00  3.20  1.00
assi (resi  15  and name HA   ) (resi  16  and name HD2# )  5.00  3.20  1.00
assi (resi  15  and name HB#  ) (resi  16  and name HN   )  5.00  3.20  1.00
assi (resi  15  and name HG#  ) (resi  16  and name HN   )  4.00  2.20  0.75
assi (resi  16  and name HN   ) (resi  17  and name HN   )  4.00  2.20  0.75
assi (resi  16  and name HA   ) (resi  17  and name HN   )  4.00  2.20  0.75
assi (resi  16  and name HB1  ) (resi  17  and name HN   )  4.00  2.20  0.75
assi (resi  16  and name HB2  ) (resi  17  and name HN   )  4.00  2.20  0.75
assi (resi  16  and name HG   ) (resi  17  and name HN   )  5.00  3.20  1.00
assi (resi  16  and name HD1# ) (resi  17  and name HN   )  5.00  3.20  1.00
assi (resi  16  and name HD2# ) (resi  17  and name HN   )  5.00  3.20  1.00
assi (resi  17  and name HN   ) (resi  18  and name HN   )  4.00  2.20  0.75
assi (resi  17  and name HA#  ) (resi  18  and name HN   )  4.00  2.20  0.75
assi (resi  18  and name HN   ) (resi  19  and name HN   )  4.00  2.20  0.75
assi (resi  18  and name HA   ) (resi  19  and name HN   )  4.00  2.20  0.75
assi (resi  18  and name HB#  ) (resi  19  and name HN   )  5.00  3.20  1.00
assi (resi  18  and name HD2# ) (resi  19  and name HN   )  5.00  3.20  1.00
assi (resi  19  and name HN   ) (resi  20  and name HN   )  4.00  2.20  0.75
assi (resi  19  and name HA   ) (resi  20  and name HN   )  3.00  1.20  0.50
assi (resi  19  and name HB#  ) (resi  20  and name HN   )  5.00  3.20  1.00
assi (resi  19  and name HG#  ) (resi  20  and name HN   )  5.00  3.20  1.00
assi (resi  20  and name HN   ) (resi  21  and name HN   )  5.00  3.20  1.00
assi (resi  20  and name HA   ) (resi  21  and name HN   )  3.00  1.20  0.50
assi (resi  20  and name HB#  ) (resi  21  and name HN   )  4.00  2.20  0.75
assi (resi  20  and name HG#  ) (resi  21  and name HN   )  5.00  3.20  1.00
assi (resi  20  and name HD#  ) (resi  21  and name HN   )  5.00  3.20  1.00
assi (resi  21  and name HA   ) (resi  22  and name HN   )  3.00  1.20  0.50
assi (resi  21  and name HB1  ) (resi  22  and name HN   )  4.00  2.20  0.75
assi (resi  21  and name HB2  ) (resi  22  and name HN   )  4.00  2.20  0.75
assi (resi  21  and name HD#  ) (resi  22  and name HN   )  3.00  1.20  0.50
assi (resi  21  and name HE#  ) (resi  22  and name HN   )  5.00  3.20  1.00
assi (resi  22  and name HA   ) (resi  23  and name HN   )  3.00  1.20  0.50
assi (resi  22  and name HB#  ) (resi  23  and name HN   )  4.00  2.20  0.75
assi (resi  22  and name HG#  ) (resi  23  and name HN   )  5.00  3.20  1.00
assi (resi  23  and name HN   ) (resi  24  and name HN   )  3.00  1.20  0.50
assi (resi  23  and name HA   ) (resi  24  and name HN   )  4.00  2.20  0.75
assi (resi  23  and name HB#  ) (resi  24  and name HN   )  4.00  2.20  0.75
assi (resi  23  and name HB#  ) (resi  24  and name HB2  )  5.00  3.20  1.00
assi (resi  24  and name HN   ) (resi  25  and name HN   )  5.00  3.20  1.00
assi (resi  24  and name HA   ) (resi  25  and name HN   )  4.00  2.20  0.75
assi (resi  24  and name HB1  ) (resi  25  and name HN   )  4.00  2.20  0.75
assi (resi  24  and name HB2  ) (resi  25  and name HN   )  3.00  1.20  0.50
assi (resi  25  and name HA#  ) (resi  26  and name HN   )  3.00  1.20  0.50
assi (resi  26  and name HN   ) (resi  27  and name HN   )  4.00  2.20  0.75
assi (resi  26  and name HA   ) (resi  27  and name HN   )  3.00  1.20  0.50
assi (resi  26  and name HB1  ) (resi  27  and name HN   )  3.00  1.20  0.50
assi (resi  26  and name HB2  ) (resi  27  and name HN   )  4.00  2.20  0.75
assi (resi  27  and name HN   ) (resi  28  and name HN   )  5.00  3.20  1.00
assi (resi  27  and name HA   ) (resi  28  and name HN   )  4.00  2.20  0.75
assi (resi  27  and name HB   ) (resi  28  and name HN   )  4.00  2.20  0.75
assi (resi  27  and name HG2# ) (resi  28  and name HN   )  5.00  3.20  1.00
assi (resi  28  and name HN   ) (resi  29  and name HN   )  5.00  3.20  1.00
assi (resi  28  and name HA#  ) (resi  29  and name HN   )  4.00  2.20  0.75
assi (resi  29  and name HN   ) (resi  30  and name HN   )  4.00  2.20  0.75
assi (resi  29  and name HA   ) (resi  30  and name HN   )  4.00  2.20  0.75
assi (resi  29  and name HB#  ) (resi  30  and name HN   )  4.00  2.20  0.75
assi (resi  29  and name HB#  ) (resi  30  and name HD2# )  5.00  3.20  1.00
assi (resi  29  and name HG#  ) (resi  30  and name HN   )  4.00  2.20  0.75
assi (resi  29  and name HG#  ) (resi  30  and name HD1# )  5.00  3.20  1.00
assi (resi  29  and name HG#  ) (resi  30  and name HD2# )  5.00  3.20  1.00
assi (resi  30  and name HA   ) (resi  31  and name HN   )  3.00  1.20  0.50
assi (resi  30  and name HG   ) (resi  31  and name HN   )  5.00  3.20  1.00
assi (resi  30  and name HD1# ) (resi  31  and name HN   )  5.00  3.20  1.00
assi (resi  30  and name HB#  ) (resi  31  and name HN   )  5.00  3.20  1.00
assi (resi  31  and name HN   ) (resi  32  and name HN   )  3.00  1.20  0.50
assi (resi  31  and name HA   ) (resi  32  and name HN   )  5.00  3.20  1.00
assi (resi  31  and name HB#  ) (resi  32  and name HN   )  5.00  3.20  1.00
assi (resi  31  and name HG#  ) (resi  32  and name HN   )  5.00  3.20  1.00
assi (resi  32  and name HN   ) (resi  33  and name HN   )  4.00  2.20  0.75
assi (resi  32  and name HA   ) (resi  33  and name HN   )  3.00  1.20  0.50
assi (resi  32  and name HB1  ) (resi  33  and name HN   )  4.00  2.20  0.75
assi (resi  32  and name HB2  ) (resi  33  and name HN   )  5.00  3.20  1.00
assi (resi  33  and name HA   ) (resi  34  and name HN   )  3.00  1.20  0.50
assi (resi  33  and name HB   ) (resi  34  and name HN   )  4.00  2.20  0.75
assi (resi  33  and name HG1# ) (resi  34  and name HN   )  5.00  3.20  1.00
assi (resi  33  and name HG2# ) (resi  34  and name HN   )  4.00  2.20  0.75
assi (resi  33  and name HG2# ) (resi  34  and name HB2  )  5.00  3.20  1.00
assi (resi  34  and name HN   ) (resi  35  and name HN   )  5.00  3.20  1.00
assi (resi  34  and name HA   ) (resi  35  and name HN   )  3.00  1.20  0.50
assi (resi  34  and name HB1  ) (resi  35  and name HN   )  4.00  2.20  0.75
assi (resi  34  and name HB2  ) (resi  35  and name HN   )  5.00  3.20  1.00
assi (resi  34  and name HD2  ) (resi  35  and name HN   )  5.00  3.20  1.00
assi (resi  35  and name HN   ) (resi  36  and name HN   )  4.00  2.20  0.75
assi (resi  35  and name HA   ) (resi  36  and name HN   )  5.00  3.20  1.00
assi (resi  35  and name HB1  ) (resi  36  and name HN   )  4.00  2.20  0.75
assi (resi  35  and name HB2  ) (resi  36  and name HN   )  5.00  3.20  1.00
assi (resi  35  and name HG#  ) (resi  36  and name HN   )  5.00  3.20  1.00
assi (resi  35  and name HD#  ) (resi  36  and name HN   )  5.00  3.20  1.00
assi (resi  36  and name HN   ) (resi  37  and name HN   )  4.00  2.20  0.75
assi (resi  36  and name HA   ) (resi  37  and name HN   )  5.00  3.20  1.00
assi (resi  36  and name HB#  ) (resi  37  and name HN   )  4.00  2.20  0.75
assi (resi  37  and name HN   ) (resi  38  and name HN   )  4.00  2.20  0.75
assi (resi  37  and name HA   ) (resi  38  and name HN   )  4.00  2.20  0.75
assi (resi  37  and name HB1  ) (resi  38  and name HN   )  4.00  2.20  0.75
assi (resi  37  and name HB2  ) (resi  38  and name HN   )  4.00  2.20  0.75
assi (resi  38  and name HN   ) (resi  39  and name HN   )  3.00  1.20  0.50
assi (resi  38  and name HA   ) (resi  39  and name HN   )  4.00  2.20  0.75
assi (resi  38  and name HB1  ) (resi  39  and name HN   )  3.00  1.20  0.50
assi (resi  38  and name HB2  ) (resi  39  and name HN   )  4.00  2.20  0.75
assi (resi  38  and name HG   ) (resi  39  and name HN   )  5.00  3.20  1.00
assi (resi  38  and name HD1# ) (resi  39  and name HN   )  5.00  3.20  1.00
assi (resi  38  and name HD2# ) (resi  39  and name HN   )  5.00  3.20  1.00
assi (resi  39  and name HN   ) (resi  40  and name HN   )  4.00  2.20  0.75
assi (resi  39  and name HA   ) (resi  40  and name HN   )  4.00  2.20  0.75
assi (resi  39  and name HB#  ) (resi  40  and name HN   )  4.00  2.20  0.75
assi (resi  40  and name HN   ) (resi  41  and name HN   )  4.00  2.20  0.75
assi (resi  40  and name HN   ) (resi  41  and name HB1  )  5.00  3.20  1.00
assi (resi  40  and name HN   ) (resi  41  and name HB2  )  5.00  3.20  1.00
assi (resi  40  and name HA   ) (resi  41  and name HN   )  4.00  2.20  0.75
assi (resi  40  and name HB   ) (resi  41  and name HN   )  4.00  2.20  0.75
assi (resi  40  and name HG2# ) (resi  41  and name HN   )  5.00  3.20  1.00
assi (resi  41  and name HN   ) (resi  42  and name HN   )  4.00  2.20  0.75
assi (resi  41  and name HN   ) (resi  42  and name HB1  )  5.00  3.20  1.00
assi (resi  41  and name HN   ) (resi  42  and name HD2# )  5.00  3.20  1.00
assi (resi  41  and name HA   ) (resi  42  and name HN   )  5.00  3.20  1.00
assi (resi  41  and name HB1  ) (resi  42  and name HN   )  4.00  2.20  0.75
assi (resi  41  and name HB2  ) (resi  42  and name HN   )  4.00  2.20  0.75
assi (resi  41  and name HD1  ) (resi  42  and name HN   )  5.00  3.20  1.00
assi (resi  41  and name HE3  ) (resi  42  and name HN   )  5.00  3.20  1.00
assi (resi  41  and name HE3  ) (resi  42  and name HA   )  4.00  2.20  0.75
assi (resi  41  and name HE3  ) (resi  42  and name HB1  )  5.00  3.20  1.00
assi (resi  41  and name HE3  ) (resi  42  and name HG   )  4.00  2.20  0.75
assi (resi  41  and name HE3  ) (resi  42  and name HD1# )  5.00  3.20  1.00
assi (resi  41  and name HE3  ) (resi  42  and name HD2# )  4.00  2.20  0.75
assi (resi  41  and name HZ3  ) (resi  42  and name HB2  )  5.00  3.20  1.00
assi (resi  41  and name HZ3  ) (resi  42  and name HD2# )  4.00  2.20  0.75
assi (resi  42  and name HN   ) (resi  43  and name HN   )  4.00  2.20  0.75
assi (resi  42  and name HA   ) (resi  43  and name HN   )  4.00  2.20  0.75
assi (resi  42  and name HB1  ) (resi  43  and name HN   )  4.00  2.20  0.75
assi (resi  42  and name HB2  ) (resi  43  and name HN   )  4.00  2.20  0.75
assi (resi  42  and name HG   ) (resi  43  and name HN   )  4.00  2.20  0.75
assi (resi  43  and name HG2# ) (resi  44  and name HA   )  5.00  3.20  1.00
assi (resi  43  and name HG2# ) (resi  44  and name HD1# )  5.00  3.20  1.00
assi (resi  44  and name HN   ) (resi  45  and name HN   )  3.00  1.20  0.50
assi (resi  44  and name HA   ) (resi  45  and name HN   )  4.00  2.20  0.75
assi (resi  44  and name HB   ) (resi  45  and name HN   )  4.00  2.20  0.75
assi (resi  44  and name HG2# ) (resi  45  and name HB#  )  5.00  3.20  1.00
assi (resi  45  and name HN   ) (resi  46  and name HN   )  4.00  2.20  0.75
assi (resi  45  and name HA   ) (resi  46  and name HN   )  3.00  1.20  0.50
assi (resi  45  and name HB#  ) (resi  46  and name HN   )  5.00  3.20  1.00
assi (resi  46  and name HN   ) (resi  47  and name HN   )  3.00  1.20  0.50
assi (resi  46  and name HA   ) (resi  47  and name HN   )  3.00  1.20  0.50
assi (resi  46  and name HB#  ) (resi  47  and name HN   )  4.00  2.20  0.75
assi (resi  46  and name HG#  ) (resi  47  and name HN   )  4.00  2.20  0.75
assi (resi  47  and name HN   ) (resi  48  and name HN   )  5.00  3.20  1.00
assi (resi  47  and name HA   ) (resi  48  and name HN   )  3.00  1.20  0.50
assi (resi  47  and name HB1  ) (resi  48  and name HN   )  4.00  2.20  0.75
assi (resi  47  and name HB2  ) (resi  48  and name HN   )  5.00  3.20  1.00
assi (resi  48  and name HN   ) (resi  49  and name HN   )  3.00  1.20  0.50
assi (resi  48  and name HN   ) (resi  49  and name HB#  )  5.00  3.20  1.00
assi (resi  48  and name HA   ) (resi  49  and name HN   )  4.00  2.20  0.75
assi (resi  48  and name HB   ) (resi  49  and name HN   )  4.00  2.20  0.75
assi (resi  48  and name HG2# ) (resi  49  and name HN   )  5.00  3.20  1.00
assi (resi  49  and name HN   ) (resi  50  and name HN   )  4.00  2.20  0.75
assi (resi  49  and name HA   ) (resi  50  and name HN   )  3.00  1.20  0.50
assi (resi  49  and name HB#  ) (resi  50  and name HN   )  4.00  2.20  0.75
assi (resi  50  and name HN   ) (resi  51  and name HN   )  5.00  3.20  1.00
assi (resi  50  and name HA   ) (resi  51  and name HN   )  3.00  1.20  0.50
assi (resi  50  and name HB1  ) (resi  51  and name HN   )  5.00  3.20  1.00
assi (resi  50  and name HB2  ) (resi  51  and name HN   )  5.00  3.20  1.00
assi (resi  51  and name HN   ) (resi  52  and name HN   )  4.00  2.20  0.75
assi (resi  51  and name HN   ) (resi  52  and name HG1# )  5.00  3.20  1.00
assi (resi  51  and name HA   ) (resi  52  and name HN   )  4.00  2.20  0.75
assi (resi  51  and name HB#  ) (resi  52  and name HN   )  5.00  3.20  1.00
assi (resi  51  and name HG#  ) (resi  52  and name HN   )  5.00  3.20  1.00
assi (resi  52  and name HN   ) (resi  53  and name HN   )  3.00  1.20  0.50
assi (resi  52  and name HA   ) (resi  53  and name HN   )  4.00  2.20  0.75
assi (resi  52  and name HB   ) (resi  53  and name HN   )  3.00  1.20  0.50
assi (resi  52  and name HG2# ) (resi  53  and name HN   )  4.00  2.20  0.75
assi (resi  52  and name HG2# ) (resi  53  and name HA   )  5.00  3.20  1.00
assi (resi  52  and name HG2# ) (resi  53  and name HB1  )  5.00  3.20  1.00
assi (resi  52  and name HG2# ) (resi  53  and name HB2  )  5.00  3.20  1.00
assi (resi  52  and name HD1# ) (resi  53  and name HN   )  5.00  3.20  1.00
assi (resi  52  and name HG1# ) (resi  53  and name HN   )  4.00  2.20  0.75
assi (resi  53  and name HN   ) (resi  54  and name HN   )  3.00  1.20  0.50
assi (resi  53  and name HN   ) (resi  54  and name HA#  )  5.00  3.20  1.00
assi (resi  53  and name HA   ) (resi  54  and name HN   )  5.00  3.20  1.00
assi (resi  53  and name HB1  ) (resi  54  and name HN   )  5.00  3.20  1.00
assi (resi  53  and name HB2  ) (resi  54  and name HN   )  5.00  3.20  1.00
assi (resi  54  and name HN   ) (resi  55  and name HN   )  3.00  1.20  0.50
assi (resi  54  and name HN   ) (resi  55  and name HA   )  5.00  3.20  1.00
assi (resi  54  and name HN   ) (resi  55  and name HB   )  5.00  3.20  1.00
assi (resi  54  and name HN   ) (resi  55  and name HG2# )  5.00  3.20  1.00
assi (resi  54  and name HA#  ) (resi  55  and name HN   )  4.00  2.20  0.75
assi (resi  55  and name HA   ) (resi  56  and name HN   )  2.50  0.70  0.30
assi (resi  55  and name HB   ) (resi  56  and name HN   )  4.00  2.20  0.75
assi (resi  55  and name HG1# ) (resi  56  and name HN   )  4.00  2.20  0.75
assi (resi  55  and name HG2# ) (resi  56  and name HN   )  5.00  3.20  1.00
assi (resi  56  and name HA   ) (resi  57  and name HN   )  3.00  1.20  0.50
assi (resi  56  and name HA   ) (resi  57  and name HD#  )  5.00  3.20  1.00
assi (resi  56  and name HA   ) (resi  57  and name HE#  )  5.00  3.20  1.00
assi (resi  56  and name HB   ) (resi  57  and name HN   )  4.00  2.20  0.75
assi (resi  56  and name HG1# ) (resi  57  and name HN   )  4.00  2.20  0.75
assi (resi  56  and name HG2# ) (resi  57  and name HN   )  5.00  3.20  1.00
assi (resi  57  and name HN   ) (resi  58  and name HN   )  5.00  3.20  1.00
assi (resi  57  and name HA   ) (resi  58  and name HN   )  3.00  1.20  0.50
assi (resi  57  and name HB1  ) (resi  58  and name HN   )  4.00  2.20  0.75
assi (resi  57  and name HB2  ) (resi  58  and name HN   )  4.00  2.20  0.75
assi (resi  57  and name HD#  ) (resi  58  and name HN   )  4.00  2.20  0.75
assi (resi  58  and name HN   ) (resi  59  and name HN   )  4.00  2.20  0.75
assi (resi  58  and name HA   ) (resi  59  and name HN   )  3.00  1.20  0.50
assi (resi  58  and name HA   ) (resi  59  and name HG2# )  5.00  3.20  1.00
assi (resi  58  and name HB#  ) (resi  59  and name HN   )  4.00  2.20  0.75
assi (resi  59  and name HN   ) (resi  60  and name HN   )  5.00  3.20  1.00
assi (resi  59  and name HA   ) (resi  60  and name HN   )  3.00  1.20  0.50
assi (resi  59  and name HB   ) (resi  60  and name HN   )  5.00  3.20  1.00
assi (resi  59  and name HG2# ) (resi  60  and name HN   )  5.00  3.20  1.00
assi (resi   8  and name HG1# ) (resi  10  and name HN   )  5.00  3.20  1.00
assi (resi   9  and name HA   ) (resi  11  and name HN   )  4.00  2.20  0.75
assi (resi  11  and name HB   ) (resi  13  and name HN   )  5.00  3.20  1.00
assi (resi  15  and name HA   ) (resi  17  and name HN   )  5.00  3.20  1.00
assi (resi  15  and name HB#  ) (resi  17  and name HN   )  4.00  2.20  0.75
assi (resi  15  and name HG#  ) (resi  17  and name HN   )  4.00  2.20  0.75
assi (resi  17  and name HA#  ) (resi  19  and name HN   )  5.00  3.20  1.00
assi (resi  18  and name HN   ) (resi  20  and name HN   )  5.00  3.20  1.00
assi (resi  21  and name HB1  ) (resi  23  and name HB#  )  5.00  3.20  1.00
assi (resi  21  and name HZ   ) (resi  23  and name HA   )  4.00  2.20  0.75
assi (resi  21  and name HZ   ) (resi  23  and name HB#  )  4.00  2.20  0.75
assi (resi  21  and name HD#  ) (resi  23  and name HA   )  5.00  3.20  1.00
assi (resi  21  and name HD#  ) (resi  23  and name HB#  )  4.00  2.20  0.75
assi (resi  21  and name HE#  ) (resi  23  and name HN   )  5.00  3.20  1.00
assi (resi  21  and name HE#  ) (resi  23  and name HA   )  4.00  2.20  0.75
assi (resi  21  and name HE#  ) (resi  23  and name HB#  )  4.00  2.20  0.75
assi (resi  28  and name HA#  ) (resi  30  and name HN   )  5.00  3.20  1.00
assi (resi  29  and name HN   ) (resi  31  and name HN   )  5.00  3.20  1.00
assi (resi  29  and name HA   ) (resi  31  and name HN   )  5.00  3.20  1.00
assi (resi  30  and name HN   ) (resi  32  and name HN   )  5.00  3.20  1.00
assi (resi  30  and name HA   ) (resi  32  and name HN   )  5.00  3.20  1.00
assi (resi  33  and name HG1# ) (resi  35  and name HA   )  5.00  3.20  1.00
assi (resi  34  and name HN   ) (resi  36  and name HN   )  5.00  3.20  1.00
assi (resi  34  and name HA   ) (resi  36  and name HN   )  5.00  3.20  1.00
assi (resi  34  and name HB1  ) (resi  36  and name HN   )  5.00  3.20  1.00
assi (resi  34  and name HB2  ) (resi  36  and name HN   )  5.00  3.20  1.00
assi (resi  34  and name HD2  ) (resi  36  and name HN   )  5.00  3.20  1.00
assi (resi  35  and name HN   ) (resi  37  and name HN   )  5.00  3.20  1.00
assi (resi  35  and name HA   ) (resi  37  and name HN   )  5.00  3.20  1.00
assi (resi  36  and name HN   ) (resi  38  and name HN   )  5.00  3.20  1.00
assi (resi  36  and name HA   ) (resi  38  and name HN   )  5.00  3.20  1.00
assi (resi  37  and name HN   ) (resi  39  and name HN   )  5.00  3.20  1.00
assi (resi  38  and name HN   ) (resi  40  and name HN   )  4.00  2.20  0.75
assi (resi  38  and name HN   ) (resi  40  and name HG2# )  5.00  3.20  1.00
assi (resi  38  and name HA   ) (resi  40  and name HN   )  5.00  3.20  1.00
assi (resi  39  and name HN   ) (resi  41  and name HN   )  4.00  2.20  0.75
assi (resi  40  and name HN   ) (resi  42  and name HN   )  5.00  3.20  1.00
assi (resi  40  and name HA   ) (resi  42  and name HN   )  5.00  3.20  1.00
assi (resi  41  and name HN   ) (resi  43  and name HN   )  5.00  3.20  1.00
assi (resi  44  and name HG2# ) (resi  46  and name HN   )  5.00  3.20  1.00
assi (resi  45  and name HB#  ) (resi  47  and name HN   )  5.00  3.20  1.00
assi (resi  45  and name HB#  ) (resi  47  and name HD2# )  5.00  3.20  1.00
assi (resi  47  and name HA   ) (resi  49  and name HN   )  4.00  2.20  0.75
assi (resi  47  and name HB1  ) (resi  49  and name HN   )  4.00  2.20  0.75
assi (resi  50  and name HA   ) (resi  52  and name HN   )  5.00  3.20  1.00
assi (resi  50  and name HB1  ) (resi  52  and name HN   )  5.00  3.20  1.00
assi (resi  51  and name HN   ) (resi  53  and name HN   )  5.00  3.20  1.00
assi (resi  51  and name HA   ) (resi  53  and name HN   )  5.00  3.20  1.00
assi (resi  52  and name HN   ) (resi  54  and name HN   )  4.00  2.20  0.75
assi (resi  52  and name HN   ) (resi  54  and name HA#  )  5.00  3.20  1.00
assi (resi  52  and name HB   ) (resi  54  and name HN   )  4.00  2.20  0.75
assi (resi  52  and name HG2# ) (resi  54  and name HN   )  5.00  3.20  1.00
assi (resi  53  and name HB1  ) (resi  55  and name HG2# )  5.00  3.20  1.00
assi (resi  53  and name HB2  ) (resi  55  and name HG2# )  4.00  2.20  0.75
assi (resi  56  and name HG1# ) (resi  58  and name HN   )  5.00  3.20  1.00
assi (resi  56  and name HG2# ) (resi  58  and name HN   )  5.00  3.20  1.00
assi (resi  57  and name HB1  ) (resi  59  and name HG2# )  5.00  3.20  1.00
assi (resi   9  and name HA   ) (resi  12  and name HN   )  5.00  3.20  1.00
assi (resi  10  and name HA   ) (resi  13  and name HD2# )  5.00  3.20  1.00
assi (resi  16  and name HG   ) (resi  19  and name HN   )  5.00  3.20  1.00
assi (resi  16  and name HD1# ) (resi  19  and name HN   )  5.00  3.20  1.00
assi (resi  16  and name HD1# ) (resi  19  and name HB#  )  5.00  3.20  1.00
assi (resi  16  and name HD2# ) (resi  19  and name HN   )  5.00  3.20  1.00
assi (resi  27  and name HN   ) (resi  30  and name HB#  )  4.00  2.20  0.75
assi (resi  28  and name HN   ) (resi  31  and name HB#  )  5.00  3.20  1.00
assi (resi  28  and name HN   ) (resi  31  and name HG#  )  4.00  2.20  0.75
assi (resi  28  and name HA#  ) (resi  31  and name HN   )  5.00  3.20  1.00
assi (resi  28  and name HA#  ) (resi  31  and name HG#  )  5.00  3.20  1.00
assi (resi  29  and name HA   ) (resi  32  and name HD2# )  4.00  2.20  0.75
assi (resi  30  and name HD2# ) (resi  33  and name HG1# )  5.00  3.20  1.00
assi (resi  34  and name HN   ) (resi  37  and name HN   )  5.00  3.20  1.00
assi (resi  34  and name HA   ) (resi  37  and name HN   )  5.00  3.20  1.00
assi (resi  34  and name HB1  ) (resi  37  and name HN   )  3.00  1.20  0.50
assi (resi  34  and name HB1  ) (resi  37  and name HB1  )  5.00  3.20  1.00
assi (resi  34  and name HB1  ) (resi  37  and name HB2  )  5.00  3.20  1.00
assi (resi  34  and name HB2  ) (resi  37  and name HN   )  3.00  1.20  0.50
assi (resi  34  and name HB2  ) (resi  37  and name HB1  )  4.00  2.20  0.75
assi (resi  34  and name HB2  ) (resi  37  and name HB2  )  4.00  2.20  0.75
assi (resi  34  and name HD2  ) (resi  37  and name HN   )  5.00  3.20  1.00
assi (resi  35  and name HA   ) (resi  38  and name HN   )  4.00  2.20  0.75
assi (resi  35  and name HA   ) (resi  38  and name HB1  )  4.00  2.20  0.75
assi (resi  35  and name HA   ) (resi  38  and name HB2  )  5.00  3.20  1.00
assi (resi  36  and name HN   ) (resi  39  and name HB#  )  5.00  3.20  1.00
assi (resi  36  and name HA   ) (resi  39  and name HN   )  5.00  3.20  1.00
assi (resi  37  and name HA   ) (resi  40  and name HN   )  5.00  3.20  1.00
assi (resi  37  and name HA   ) (resi  40  and name HB   )  5.00  3.20  1.00
assi (resi  37  and name HA   ) (resi  40  and name HG2# )  5.00  3.20  1.00
assi (resi  38  and name HN   ) (resi  41  and name HE3  )  5.00  3.20  1.00
assi (resi  38  and name HA   ) (resi  41  and name HN   )  4.00  2.20  0.75
assi (resi  38  and name HA   ) (resi  41  and name HB1  )  4.00  2.20  0.75
assi (resi  38  and name HA   ) (resi  41  and name HB2  )  4.00  2.20  0.75
assi (resi  38  and name HA   ) (resi  41  and name HD1  )  5.00  3.20  1.00
assi (resi  38  and name HA   ) (resi  41  and name HE3  )  5.00  3.20  1.00
assi (resi  38  and name HG   ) (resi  41  and name HE3  )  5.00  3.20  1.00
assi (resi  38  and name HD1# ) (resi  41  and name HN   )  5.00  3.20  1.00
assi (resi  38  and name HD1# ) (resi  41  and name HB1  )  5.00  3.20  1.00
assi (resi  38  and name HD1# ) (resi  41  and name HB2  )  5.00  3.20  1.00
assi (resi  38  and name HD1# ) (resi  41  and name HE3  )  4.00  2.20  0.75
assi (resi  38  and name HD1# ) (resi  41  and name HZ3  )  5.00  3.20  1.00
assi (resi  38  and name HD2# ) (resi  41  and name HE3  )  5.00  3.20  1.00
assi (resi  39  and name HN   ) (resi  42  and name HD1# )  5.00  3.20  1.00
assi (resi  39  and name HN   ) (resi  42  and name HD2# )  5.00  3.20  1.00
assi (resi  39  and name HA   ) (resi  42  and name HN   )  5.00  3.20  1.00
assi (resi  39  and name HA   ) (resi  42  and name HB1  )  4.00  2.20  0.75
assi (resi  39  and name HA   ) (resi  42  and name HB2  )  5.00  3.20  1.00
assi (resi  39  and name HA   ) (resi  42  and name HD1# )  5.00  3.20  1.00
assi (resi  40  and name HN   ) (resi  43  and name HN   )  5.00  3.20  1.00
assi (resi  40  and name HA   ) (resi  43  and name HN   )  3.00  1.20  0.50
assi (resi  41  and name HN   ) (resi  44  and name HD1# )  5.00  3.20  1.00
assi (resi  41  and name HA   ) (resi  44  and name HN   )  4.00  2.20  0.75
assi (resi  41  and name HA   ) (resi  44  and name HB   )  5.00  3.20  1.00
assi (resi  41  and name HD1  ) (resi  44  and name HB   )  4.00  2.20  0.75
assi (resi  42  and name HA   ) (resi  45  and name HN   )  5.00  3.20  1.00
assi (resi  43  and name HA   ) (resi  46  and name HN   )  4.00  2.20  0.75
assi (resi  43  and name HB   ) (resi  46  and name HN   )  5.00  3.20  1.00
assi (resi  43  and name HG2# ) (resi  46  and name HN   )  5.00  3.20  1.00
assi (resi  50  and name HN   ) (resi  53  and name HN   )  5.00  3.20  1.00
assi (resi  50  and name HB1  ) (resi  53  and name HN   )  4.00  2.20  0.75
assi (resi  50  and name HB2  ) (resi  53  and name HN   )  5.00  3.20  1.00
assi (resi  51  and name HA   ) (resi  54  and name HN   )  5.00  3.20  1.00
assi (resi  52  and name HN   ) (resi  55  and name HN   )  5.00  3.20  1.00
assi (resi  26  and name HB1  ) (resi  30  and name HN   )  5.00  3.20  1.00
assi (resi  26  and name HB1  ) (resi  30  and name HB#  )  4.00  2.20  0.75
assi (resi  26  and name HB2  ) (resi  30  and name HD1# )  5.00  3.20  1.00
assi (resi  26  and name HB2  ) (resi  30  and name HB#  )  4.00  2.20  0.75
assi (resi  27  and name HA   ) (resi  31  and name HB#  )  5.00  3.20  1.00
assi (resi  27  and name HA   ) (resi  31  and name HG#  )  4.00  2.20  0.75
assi (resi  33  and name HG2# ) (resi  37  and name HN   )  5.00  3.20  1.00
assi (resi  34  and name HN   ) (resi  38  and name HB2  )  5.00  3.20  1.00
assi (resi  34  and name HB1  ) (resi  38  and name HN   )  5.00  3.20  1.00
assi (resi  34  and name HB2  ) (resi  38  and name HN   )  4.00  2.20  0.75
assi (resi  35  and name HA   ) (resi  39  and name HN   )  5.00  3.20  1.00
assi (resi  36  and name HA   ) (resi  40  and name HN   )  4.00  2.20  0.75
assi (resi  37  and name HA   ) (resi  41  and name HN   )  5.00  3.20  1.00
assi (resi  37  and name HB1  ) (resi  41  and name HB1  )  5.00  3.20  1.00
assi (resi  38  and name HA   ) (resi  42  and name HN   )  4.00  2.20  0.75
assi (resi  38  and name HG   ) (resi  42  and name HN   )  5.00  3.20  1.00
assi (resi  38  and name HD1# ) (resi  42  and name HN   )  5.00  3.20  1.00
assi (resi  39  and name HA   ) (resi  43  and name HN   )  4.00  2.20  0.75
assi (resi  40  and name HG2# ) (resi  44  and name HD1# )  5.00  3.20  1.00
assi (resi  41  and name HA   ) (resi  45  and name HN   )  4.00  2.20  0.75
assi (resi  41  and name HD1  ) (resi  45  and name HB#  )  4.00  2.20  0.75
assi (resi  41  and name HE1  ) (resi  45  and name HB#  )  5.00  3.20  1.00
assi (resi  41  and name HE3  ) (resi  45  and name HN   )  5.00  3.20  1.00
assi (resi  42  and name HA   ) (resi  46  and name HN   )  5.00  3.20  1.00
assi (resi  50  and name HA   ) (resi  54  and name HN   )  5.00  3.20  1.00
assi (resi  50  and name HB1  ) (resi  54  and name HN   )  4.00  2.20  0.75
assi (resi  50  and name HB2  ) (resi  54  and name HN   )  5.00  3.20  1.00
assi (resi   6  and name HN   ) (resi  15  and name HG#  )  5.00  3.20  1.00
assi (resi   6  and name HG1# ) (resi  15  and name HG#  )  5.00  3.20  1.00
assi (resi   6  and name HG1# ) (resi  17  and name HN   )  5.00  3.20  1.00
assi (resi   6  and name HG1# ) (resi  18  and name HN   )  5.00  3.20  1.00
assi (resi   7  and name HA   ) (resi  16  and name HD2# )  5.00  3.20  1.00
assi (resi   7  and name HB#  ) (resi  16  and name HD2# )  4.00  2.20  0.75
assi (resi   7  and name HG#  ) (resi  16  and name HD1# )  4.00  2.20  0.75
assi (resi   7  and name HG#  ) (resi  16  and name HD2# )  5.00  3.20  1.00
assi (resi   7  and name HD#  ) (resi  16  and name HN   )  5.00  3.20  1.00
assi (resi   7  and name HA   ) (resi  32  and name HD2# )  5.00  3.20  1.00
assi (resi   7  and name HB#  ) (resi  32  and name HD2# )  4.00  2.20  0.75
assi (resi   7  and name HG#  ) (resi  32  and name HD2# )  4.00  2.20  0.75
assi (resi   8  and name HB   ) (resi  13  and name HN   )  5.00  3.20  1.00
assi (resi   8  and name HG1# ) (resi  13  and name HB#  )  5.00  3.20  1.00
assi (resi   8  and name HB   ) (resi  14  and name HN   )  5.00  3.20  1.00
assi (resi   8  and name HG1# ) (resi  14  and name HN   )  5.00  3.20  1.00
assi (resi   8  and name HG2# ) (resi  14  and name HN   )  5.00  3.20  1.00
assi (resi   8  and name HA   ) (resi  15  and name HN   )  5.00  3.20  1.00
assi (resi   8  and name HA   ) (resi  15  and name HA   )  3.00  1.20  0.50
assi (resi   8  and name HG1# ) (resi  15  and name HN   )  5.00  3.20  1.00
assi (resi   8  and name HG1# ) (resi  15  and name HA   )  4.00  2.20  0.75
assi (resi   8  and name HG1# ) (resi  15  and name HB#  )  4.00  2.20  0.75
assi (resi   8  and name HG1# ) (resi  15  and name HG#  )  4.00  2.20  0.75
assi (resi   8  and name HG2# ) (resi  15  and name HA   )  5.00  3.20  1.00
assi (resi   8  and name HG2# ) (resi  15  and name HG#  )  5.00  3.20  1.00
assi (resi   8  and name HN   ) (resi  16  and name HD1# )  5.00  3.20  1.00
assi (resi   8  and name HN   ) (resi  16  and name HD2# )  5.00  3.20  1.00
assi (resi   8  and name HA   ) (resi  16  and name HN   )  4.00  2.20  0.75
assi (resi   8  and name HA   ) (resi  16  and name HD1# )  5.00  3.20  1.00
assi (resi   8  and name HA   ) (resi  16  and name HD2# )  5.00  3.20  1.00
assi (resi   8  and name HG1# ) (resi  16  and name HN   )  5.00  3.20  1.00
assi (resi   8  and name HA   ) (resi  17  and name HN   )  5.00  3.20  1.00
assi (resi   8  and name HN   ) (resi  32  and name HB1  )  5.00  3.20  1.00
assi (resi   8  and name HN   ) (resi  32  and name HB2  )  5.00  3.20  1.00
assi (resi   8  and name HN   ) (resi  32  and name HD2# )  5.00  3.20  1.00
assi (resi   8  and name HA   ) (resi  34  and name HE1  )  5.00  3.20  1.00
assi (resi   8  and name HG1# ) (resi  34  and name HE1  )  5.00  3.20  1.00
assi (resi   9  and name HN   ) (resi  14  and name HN   )  4.00  2.20  0.75
assi (resi   9  and name HN   ) (resi  14  and name HB#  )  4.00  2.20  0.75
assi (resi   9  and name HN   ) (resi  14  and name HG#  )  5.00  3.20  1.00
assi (resi   9  and name HB1  ) (resi  14  and name HN   )  4.00  2.20  0.75
assi (resi   9  and name HB1  ) (resi  14  and name HB#  )  5.00  3.20  1.00
assi (resi   9  and name HB2  ) (resi  14  and name HN   )  4.00  2.20  0.75
assi (resi   9  and name HN   ) (resi  15  and name HN   )  5.00  3.20  1.00
assi (resi   9  and name HN   ) (resi  15  and name HA   )  4.00  2.20  0.75
assi (resi   9  and name HN   ) (resi  16  and name HG   )  5.00  3.20  1.00
assi (resi   9  and name HN   ) (resi  16  and name HD1# )  5.00  3.20  1.00
assi (resi   9  and name HN   ) (resi  16  and name HD2# )  5.00  3.20  1.00
assi (resi   9  and name HA   ) (resi  16  and name HD1# )  5.00  3.20  1.00
assi (resi   9  and name HA   ) (resi  16  and name HD2# )  5.00  3.20  1.00
assi (resi   9  and name HB1  ) (resi  16  and name HN   )  5.00  3.20  1.00
assi (resi   9  and name HB1  ) (resi  16  and name HD1# )  5.00  3.20  1.00
assi (resi   9  and name HB1  ) (resi  16  and name HD2# )  5.00  3.20  1.00
assi (resi   9  and name HB2  ) (resi  16  and name HD1# )  5.00  3.20  1.00
assi (resi   9  and name HB2  ) (resi  16  and name HD2# )  5.00  3.20  1.00
assi (resi   9  and name HN   ) (resi  17  and name HN   )  5.00  3.20  1.00
assi (resi   9  and name HN   ) (resi  33  and name HA   )  5.00  3.20  1.00
assi (resi   9  and name HA   ) (resi  33  and name HA   )  3.00  1.20  0.50
assi (resi   9  and name HB1  ) (resi  33  and name HA   )  4.00  2.20  0.75
assi (resi   9  and name HN   ) (resi  34  and name HE1  )  4.00  2.20  0.75
assi (resi   9  and name HA   ) (resi  34  and name HN   )  3.00  1.20  0.50
assi (resi   9  and name HA   ) (resi  34  and name HE1  )  5.00  3.20  1.00
assi (resi   9  and name HB1  ) (resi  34  and name HN   )  3.00  1.20  0.50
assi (resi   9  and name HB1  ) (resi  34  and name HE1  )  3.00  1.20  0.50
assi (resi   9  and name HB2  ) (resi  34  and name HD2  )  5.00  3.20  1.00
assi (resi   9  and name HB2  ) (resi  34  and name HE1  )  4.00  2.20  0.75
assi (resi   9  and name HB2  ) (resi  34  and name HE2  )  5.00  3.20  1.00
assi (resi  10  and name HD1  ) (resi  30  and name HA   )  4.00  2.20  0.75
assi (resi  10  and name HD1  ) (resi  30  and name HD1# )  4.00  2.20  0.75
assi (resi  10  and name HD1  ) (resi  30  and name HD2# )  5.00  3.20  1.00
assi (resi  10  and name HD1  ) (resi  30  and name HB#  )  5.00  3.20  1.00
assi (resi  10  and name HE1  ) (resi  30  and name HA   )  4.00  2.20  0.75
assi (resi  10  and name HE1  ) (resi  30  and name HG   )  5.00  3.20  1.00
assi (resi  10  and name HE1  ) (resi  30  and name HD2# )  5.00  3.20  1.00
assi (resi  10  and name HE1  ) (resi  30  and name HB#  )  5.00  3.20  1.00
assi (resi  10  and name HZ2  ) (resi  30  and name HA   )  5.00  3.20  1.00
assi (resi  10  and name HD1  ) (resi  32  and name HN   )  4.00  2.20  0.75
assi (resi  10  and name HD1  ) (resi  32  and name HA   )  5.00  3.20  1.00
assi (resi  10  and name HD1  ) (resi  32  and name HB1  )  5.00  3.20  1.00
assi (resi  10  and name HN   ) (resi  33  and name HA   )  3.00  1.20  0.50
assi (resi  10  and name HD1  ) (resi  33  and name HA   )  5.00  3.20  1.00
assi (resi  10  and name HD1  ) (resi  33  and name HB   )  3.00  1.20  0.50
assi (resi  10  and name HD1  ) (resi  33  and name HG1# )  5.00  3.20  1.00
assi (resi  10  and name HD1  ) (resi  33  and name HG2# )  4.00  2.20  0.75
assi (resi  10  and name HE1  ) (resi  33  and name HB   )  4.00  2.20  0.75
assi (resi  10  and name HE1  ) (resi  33  and name HG1# )  5.00  3.20  1.00
assi (resi  10  and name HE1  ) (resi  33  and name HG2# )  5.00  3.20  1.00
assi (resi  10  and name HZ2  ) (resi  33  and name HB   )  5.00  3.20  1.00
assi (resi  10  and name HZ2  ) (resi  33  and name HG1# )  5.00  3.20  1.00
assi (resi  10  and name HZ2  ) (resi  33  and name HG2# )  5.00  3.20  1.00
assi (resi  10  and name HE1  ) (resi  34  and name HN   )  5.00  3.20  1.00
assi (resi  10  and name HE1  ) (resi  38  and name HB2  )  5.00  3.20  1.00
assi (resi  10  and name HZ2  ) (resi  38  and name HD1# )  5.00  3.20  1.00
assi (resi  10  and name HZ2  ) (resi  38  and name HD2# )  5.00  3.20  1.00
assi (resi  10  and name HZ3  ) (resi  41  and name HE1  )  5.00  3.20  1.00
assi (resi  10  and name HZ3  ) (resi  41  and name HZ2  )  5.00  3.20  1.00
assi (resi  10  and name HH2  ) (resi  41  and name HE1  )  5.00  3.20  1.00
assi (resi  10  and name HH2  ) (resi  41  and name HE3  )  5.00  3.20  1.00
assi (resi  10  and name HH2  ) (resi  41  and name HZ2  )  5.00  3.20  1.00
assi (resi  10  and name HH2  ) (resi  41  and name HZ3  )  4.00  2.20  0.75
assi (resi  10  and name HH2  ) (resi  41  and name HH2  )  5.00  3.20  1.00
assi (resi  11  and name HD1# ) (resi  21  and name HE#  )  5.00  3.20  1.00
assi (resi  11  and name HD1# ) (resi  30  and name HD2# )  5.00  3.20  1.00
assi (resi  11  and name HN   ) (resi  33  and name HA   )  5.00  3.20  1.00
assi (resi  11  and name HN   ) (resi  33  and name HG2# )  5.00  3.20  1.00
assi (resi  11  and name HG11 ) (resi  33  and name HG1# )  5.00  3.20  1.00
assi (resi  11  and name HG11 ) (resi  33  and name HG2# )  5.00  3.20  1.00
assi (resi  11  and name HD1# ) (resi  33  and name HB   )  5.00  3.20  1.00
assi (resi  11  and name HD1# ) (resi  33  and name HG1# )  5.00  3.20  1.00
assi (resi  11  and name HD1# ) (resi  33  and name HG2# )  5.00  3.20  1.00
assi (resi  11  and name HG11 ) (resi  34  and name HN   )  5.00  3.20  1.00
assi (resi  11  and name HD1# ) (resi  34  and name HN   )  5.00  3.20  1.00
assi (resi  11  and name HB   ) (resi  37  and name HB1  )  4.00  2.20  0.75
assi (resi  11  and name HB   ) (resi  37  and name HB2  )  4.00  2.20  0.75
assi (resi  11  and name HG2# ) (resi  37  and name HB1  )  5.00  3.20  1.00
assi (resi  11  and name HG2# ) (resi  37  and name HB2  )  4.00  2.20  0.75
assi (resi  11  and name HD1# ) (resi  37  and name HN   )  5.00  3.20  1.00
assi (resi  11  and name HD1# ) (resi  37  and name HA   )  5.00  3.20  1.00
assi (resi  11  and name HD1# ) (resi  37  and name HB1  )  5.00  3.20  1.00
assi (resi  11  and name HD1# ) (resi  37  and name HB2  )  5.00  3.20  1.00
assi (resi  11  and name HD1# ) (resi  38  and name HN   )  5.00  3.20  1.00
assi (resi  11  and name HD1# ) (resi  38  and name HA   )  5.00  3.20  1.00
assi (resi  11  and name HD1# ) (resi  38  and name HB1  )  5.00  3.20  1.00
assi (resi  11  and name HD1# ) (resi  38  and name HB2  )  5.00  3.20  1.00
assi (resi  11  and name HD1# ) (resi  38  and name HG   )  5.00  3.20  1.00
assi (resi  11  and name HD1# ) (resi  38  and name HD1# )  5.00  3.20  1.00
assi (resi  11  and name HD1# ) (resi  38  and name HD2# )  5.00  3.20  1.00
assi (resi  11  and name HD1# ) (resi  39  and name HN   )  5.00  3.20  1.00
assi (resi  11  and name HG2# ) (resi  41  and name HB2  )  5.00  3.20  1.00
assi (resi  11  and name HG2# ) (resi  41  and name HE1  )  5.00  3.20  1.00
assi (resi  11  and name HD1# ) (resi  41  and name HN   )  5.00  3.20  1.00
assi (resi  11  and name HD1# ) (resi  41  and name HB1  )  5.00  3.20  1.00
assi (resi  11  and name HD1# ) (resi  41  and name HB2  )  5.00  3.20  1.00
assi (resi  11  and name HD1# ) (resi  41  and name HD1  )  5.00  3.20  1.00
assi (resi  11  and name HD1# ) (resi  41  and name HE3  )  5.00  3.20  1.00
assi (resi  11  and name HD1# ) (resi  41  and name HZ3  )  5.00  3.20  1.00
assi (resi  14  and name HN   ) (resi  34  and name HE1  )  4.00  2.20  0.75
assi (resi  14  and name HB#  ) (resi  34  and name HE1  )  3.00  1.20  0.50
assi (resi  14  and name HB#  ) (resi  34  and name HE2  )  5.00  3.20  1.00
assi (resi  14  and name HG#  ) (resi  34  and name HE1  )  4.00  2.20  0.75
assi (resi  15  and name HN   ) (resi  34  and name HE1  )  5.00  3.20  1.00
assi (resi  15  and name HA   ) (resi  34  and name HE1  )  5.00  3.20  1.00
assi (resi  16  and name HD1# ) (resi  32  and name HA   )  5.00  3.20  1.00
assi (resi  16  and name HD1# ) (resi  32  and name HB1  )  5.00  3.20  1.00
assi (resi  16  and name HD1# ) (resi  32  and name HB2  )  5.00  3.20  1.00
assi (resi  16  and name HD2# ) (resi  32  and name HN   )  5.00  3.20  1.00
assi (resi  16  and name HD2# ) (resi  32  and name HA   )  5.00  3.20  1.00
assi (resi  16  and name HD2# ) (resi  32  and name HB1  )  5.00  3.20  1.00
assi (resi  16  and name HD2# ) (resi  32  and name HB2  )  5.00  3.20  1.00
assi (resi  16  and name HD2# ) (resi  32  and name HD2# )  5.00  3.20  1.00
assi (resi  16  and name HD1# ) (resi  33  and name HN   )  5.00  3.20  1.00
assi (resi  16  and name HD1# ) (resi  33  and name HA   )  5.00  3.20  1.00
assi (resi  16  and name HD1# ) (resi  33  and name HG2# )  5.00  3.20  1.00
assi (resi  16  and name HD2# ) (resi  33  and name HN   )  5.00  3.20  1.00
assi (resi  16  and name HD2# ) (resi  33  and name HA   )  5.00  3.20  1.00
assi (resi  16  and name HN   ) (resi  34  and name HE1  )  5.00  3.20  1.00
assi (resi  16  and name HA   ) (resi  34  and name HD2  )  4.00  2.20  0.75
assi (resi  16  and name HA   ) (resi  34  and name HE1  )  4.00  2.20  0.75
assi (resi  16  and name HA   ) (resi  34  and name HE2  )  4.00  2.20  0.75
assi (resi  16  and name HB1  ) (resi  34  and name HD2  )  5.00  3.20  1.00
assi (resi  16  and name HB1  ) (resi  34  and name HE1  )  5.00  3.20  1.00
assi (resi  16  and name HB1  ) (resi  34  and name HE2  )  5.00  3.20  1.00
assi (resi  16  and name HB2  ) (resi  34  and name HD2  )  5.00  3.20  1.00
assi (resi  16  and name HB2  ) (resi  34  and name HE1  )  5.00  3.20  1.00
assi (resi  16  and name HG   ) (resi  34  and name HN   )  5.00  3.20  1.00
assi (resi  16  and name HG   ) (resi  34  and name HD2  )  5.00  3.20  1.00
assi (resi  16  and name HG   ) (resi  34  and name HE1  )  5.00  3.20  1.00
assi (resi  16  and name HD1# ) (resi  34  and name HN   )  5.00  3.20  1.00
assi (resi  16  and name HD1# ) (resi  34  and name HA   )  5.00  3.20  1.00
assi (resi  16  and name HD1# ) (resi  34  and name HD2  )  5.00  3.20  1.00
assi (resi  16  and name HD1# ) (resi  34  and name HE1  )  5.00  3.20  1.00
assi (resi  16  and name HD1# ) (resi  34  and name HE2  )  5.00  3.20  1.00
assi (resi  16  and name HD2# ) (resi  34  and name HN   )  5.00  3.20  1.00
assi (resi  16  and name HD2# ) (resi  34  and name HA   )  5.00  3.20  1.00
assi (resi  16  and name HD2# ) (resi  34  and name HD2  )  5.00  3.20  1.00
assi (resi  16  and name HD2# ) (resi  34  and name HE1  )  5.00  3.20  1.00
assi (resi  16  and name HD2# ) (resi  34  and name HE2  )  5.00  3.20  1.00
assi (resi  19  and name HB#  ) (resi  34  and name HD2  )  4.00  2.20  0.75
assi (resi  19  and name HG#  ) (resi  34  and name HD2  )  5.00  3.20  1.00
assi (resi  21  and name HN   ) (resi  32  and name HA   )  5.00  3.20  1.00
assi (resi  21  and name HN   ) (resi  33  and name HN   )  5.00  3.20  1.00
assi (resi  21  and name HB1  ) (resi  33  and name HN   )  5.00  3.20  1.00
assi (resi  21  and name HB1  ) (resi  33  and name HG1# )  5.00  3.20  1.00
assi (resi  21  and name HB2  ) (resi  33  and name HG1# )  5.00  3.20  1.00
assi (resi  21  and name HD#  ) (resi  33  and name HN   )  5.00  3.20  1.00
assi (resi  21  and name HD#  ) (resi  33  and name HB   )  5.00  3.20  1.00
assi (resi  21  and name HD#  ) (resi  33  and name HG1# )  4.00  2.20  0.75
assi (resi  21  and name HD#  ) (resi  33  and name HG2# )  4.00  2.20  0.75
assi (resi  21  and name HE#  ) (resi  33  and name HB   )  5.00  3.20  1.00
assi (resi  21  and name HE#  ) (resi  33  and name HG1# )  5.00  3.20  1.00
assi (resi  21  and name HE#  ) (resi  33  and name HG2# )  5.00  3.20  1.00
assi (resi  21  and name HD#  ) (resi  34  and name HA   )  5.00  3.20  1.00
assi (resi  21  and name HB2  ) (resi  35  and name HN   )  5.00  3.20  1.00
assi (resi  21  and name HB2  ) (resi  35  and name HB2  )  5.00  3.20  1.00
assi (resi  21  and name HD#  ) (resi  35  and name HN   )  5.00  3.20  1.00
assi (resi  21  and name HD#  ) (resi  35  and name HA   )  3.00  1.20  0.50
assi (resi  21  and name HD#  ) (resi  35  and name HB1  )  4.00  2.20  0.75
assi (resi  21  and name HD#  ) (resi  35  and name HB2  )  4.00  2.20  0.75
assi (resi  21  and name HD#  ) (resi  35  and name HG#  )  4.00  2.20  0.75
assi (resi  21  and name HD#  ) (resi  35  and name HD#  )  4.00  2.20  0.75
assi (resi  21  and name HE#  ) (resi  35  and name HN   )  5.00  3.20  1.00
assi (resi  21  and name HE#  ) (resi  35  and name HA   )  4.00  2.20  0.75
assi (resi  21  and name HE#  ) (resi  35  and name HB2  )  5.00  3.20  1.00
assi (resi  21  and name HE#  ) (resi  35  and name HG#  )  5.00  3.20  1.00
assi (resi  21  and name HE#  ) (resi  35  and name HD#  )  4.00  2.20  0.75
assi (resi  21  and name HB2  ) (resi  36  and name HN   )  5.00  3.20  1.00
assi (resi  21  and name HZ   ) (resi  38  and name HB1  )  4.00  2.20  0.75
assi (resi  21  and name HZ   ) (resi  38  and name HD1# )  4.00  2.20  0.75
assi (resi  21  and name HZ   ) (resi  38  and name HD2# )  4.00  2.20  0.75
assi (resi  21  and name HD#  ) (resi  38  and name HB1  )  5.00  3.20  1.00
assi (resi  21  and name HD#  ) (resi  38  and name HB2  )  5.00  3.20  1.00
assi (resi  21  and name HD#  ) (resi  38  and name HD2# )  5.00  3.20  1.00
assi (resi  21  and name HE#  ) (resi  38  and name HB1  )  5.00  3.20  1.00
assi (resi  21  and name HE#  ) (resi  38  and name HB2  )  5.00  3.20  1.00
assi (resi  21  and name HE#  ) (resi  38  and name HD1# )  5.00  3.20  1.00
assi (resi  21  and name HE#  ) (resi  38  and name HD2# )  4.00  2.20  0.75
assi (resi  21  and name HD#  ) (resi  39  and name HB#  )  5.00  3.20  1.00
assi (resi  21  and name HD#  ) (resi  58  and name HB#  )  5.00  3.20  1.00
assi (resi  21  and name HE#  ) (resi  58  and name HB#  )  5.00  3.20  1.00
assi (resi  21  and name HZ   ) (resi  59  and name HG2# )  5.00  3.20  1.00
assi (resi  21  and name HD#  ) (resi  59  and name HA   )  4.00  2.20  0.75
assi (resi  21  and name HD#  ) (resi  59  and name HB   )  5.00  3.20  1.00
assi (resi  21  and name HD#  ) (resi  59  and name HG2# )  5.00  3.20  1.00
assi (resi  21  and name HE#  ) (resi  59  and name HA   )  4.00  2.20  0.75
assi (resi  21  and name HE#  ) (resi  59  and name HG2# )  5.00  3.20  1.00
assi (resi  21  and name HD#  ) (resi  60  and name HN   )  5.00  3.20  1.00
assi (resi  21  and name HE#  ) (resi  60  and name HN   )  5.00  3.20  1.00
assi (resi  23  and name HN   ) (resi  31  and name HA   )  5.00  3.20  1.00
assi (resi  23  and name HN   ) (resi  33  and name HG1# )  5.00  3.20  1.00
assi (resi  23  and name HB#  ) (resi  33  and name HG1# )  5.00  3.20  1.00
assi (resi  23  and name HB#  ) (resi  33  and name HG2# )  5.00  3.20  1.00
assi (resi  23  and name HB#  ) (resi  38  and name HD1# )  5.00  3.20  1.00
assi (resi  23  and name HB#  ) (resi  38  and name HD2# )  5.00  3.20  1.00
assi (resi  23  and name HA   ) (resi  57  and name HD#  )  5.00  3.20  1.00
assi (resi  23  and name HA   ) (resi  57  and name HE#  )  5.00  3.20  1.00
assi (resi  23  and name HB#  ) (resi  57  and name HB1  )  5.00  3.20  1.00
assi (resi  23  and name HB#  ) (resi  57  and name HB2  )  5.00  3.20  1.00
assi (resi  23  and name HB#  ) (resi  57  and name HD#  )  4.00  2.20  0.75
assi (resi  23  and name HB#  ) (resi  57  and name HE#  )  5.00  3.20  1.00
assi (resi  23  and name HA   ) (resi  58  and name HN   )  4.00  2.20  0.75
assi (resi  23  and name HA   ) (resi  58  and name HB#  )  5.00  3.20  1.00
assi (resi  23  and name HB#  ) (resi  58  and name HN   )  5.00  3.20  1.00
assi (resi  24  and name HB1  ) (resi  30  and name HD1# )  4.00  2.20  0.75
assi (resi  24  and name HN   ) (resi  33  and name HG1# )  5.00  3.20  1.00
assi (resi  24  and name HB1  ) (resi  50  and name HB1  )  4.00  2.20  0.75
assi (resi  24  and name HB1  ) (resi  50  and name HB2  )  4.00  2.20  0.75
assi (resi  24  and name HB2  ) (resi  50  and name HB2  )  4.00  2.20  0.75
assi (resi  24  and name HA   ) (resi  55  and name HB   )  4.00  2.20  0.75
assi (resi  24  and name HA   ) (resi  55  and name HG1# )  4.00  2.20  0.75
assi (resi  24  and name HB1  ) (resi  55  and name HN   )  5.00  3.20  1.00
assi (resi  24  and name HB1  ) (resi  55  and name HB   )  4.00  2.20  0.75
assi (resi  24  and name HB1  ) (resi  55  and name HG1# )  5.00  3.20  1.00
assi (resi  24  and name HB1  ) (resi  55  and name HG2# )  5.00  3.20  1.00
assi (resi  24  and name HB2  ) (resi  55  and name HB   )  4.00  2.20  0.75
assi (resi  24  and name HB2  ) (resi  55  and name HG1# )  5.00  3.20  1.00
assi (resi  24  and name HB2  ) (resi  57  and name HD#  )  4.00  2.20  0.75
assi (resi  24  and name HB2  ) (resi  57  and name HE#  )  4.00  2.20  0.75
assi (resi  25  and name HN   ) (resi  50  and name HB2  )  5.00  3.20  1.00
assi (resi  25  and name HN   ) (resi  53  and name HB1  )  5.00  3.20  1.00
assi (resi  25  and name HN   ) (resi  55  and name HN   )  5.00  3.20  1.00
assi (resi  25  and name HN   ) (resi  55  and name HB   )  3.00  1.20  0.50
assi (resi  25  and name HN   ) (resi  55  and name HG2# )  4.00  2.20  0.75
assi (resi  25  and name HA#  ) (resi  55  and name HG2# )  4.00  2.20  0.75
assi (resi  26  and name HN   ) (resi  50  and name HB2  )  5.00  3.20  1.00
assi (resi  26  and name HN   ) (resi  53  and name HB1  )  5.00  3.20  1.00
assi (resi  26  and name HN   ) (resi  53  and name HB2  )  5.00  3.20  1.00
assi (resi  26  and name HA   ) (resi  53  and name HB2  )  5.00  3.20  1.00
assi (resi  26  and name HN   ) (resi  55  and name HG2# )  5.00  3.20  1.00
assi (resi  30  and name HD2# ) (resi  38  and name HD1# )  5.00  3.20  1.00
assi (resi  30  and name HD2# ) (resi  41  and name HZ3  )  5.00  3.20  1.00
assi (resi  30  and name HD1# ) (resi  52  and name HB   )  5.00  3.20  1.00
assi (resi  33  and name HG1# ) (resi  38  and name HD2# )  4.00  2.20  0.75
assi (resi  33  and name HG2# ) (resi  38  and name HD2# )  5.00  3.20  1.00
assi (resi  38  and name HD1# ) (resi  57  and name HD#  )  5.00  3.20  1.00
assi (resi  38  and name HD1# ) (resi  57  and name HE#  )  5.00  3.20  1.00
assi (resi  38  and name HD2# ) (resi  57  and name HB1  )  5.00  3.20  1.00
assi (resi  38  and name HD2# ) (resi  57  and name HB2  )  5.00  3.20  1.00
assi (resi  38  and name HD2# ) (resi  57  and name HD#  )  5.00  3.20  1.00
assi (resi  38  and name HD2# ) (resi  57  and name HE#  )  5.00  3.20  1.00
assi (resi  39  and name HA   ) (resi  59  and name HG2# )  5.00  3.20  1.00
assi (resi  41  and name HE3  ) (resi  47  and name HD2# )  5.00  3.20  1.00
assi (resi  41  and name HH2  ) (resi  50  and name HA   )  4.00  2.20  0.75
assi (resi  41  and name HE3  ) (resi  57  and name HD#  )  5.00  3.20  1.00
assi (resi  42  and name HA   ) (resi  47  and name HN   )  4.00  2.20  0.75
assi (resi  42  and name HA   ) (resi  47  and name HD2# )  5.00  3.20  1.00
assi (resi  42  and name HD1# ) (resi  47  and name HN   )  5.00  3.20  1.00
assi (resi  42  and name HD2# ) (resi  47  and name HN   )  5.00  3.20  1.00
assi (resi  42  and name HD2# ) (resi  47  and name HB1  )  5.00  3.20  1.00
assi (resi  42  and name HD2# ) (resi  47  and name HB2  )  5.00  3.20  1.00
assi (resi  42  and name HG   ) (resi  57  and name HE#  )  5.00  3.20  1.00
assi (resi  42  and name HD1# ) (resi  57  and name HB1  )  5.00  3.20  1.00
assi (resi  42  and name HD1# ) (resi  57  and name HD#  )  5.00  3.20  1.00
assi (resi  42  and name HD1# ) (resi  57  and name HE#  )  5.00  3.20  1.00
assi (resi  42  and name HD2# ) (resi  57  and name HD#  )  5.00  3.20  1.00
assi (resi  42  and name HD2# ) (resi  57  and name HE#  )  4.00  2.20  0.75
assi (resi  47  and name HB1  ) (resi  57  and name HD#  )  4.00  2.20  0.75
assi (resi  47  and name HB1  ) (resi  57  and name HE#  )  3.00  1.20  0.50
assi (resi  47  and name HB2  ) (resi  57  and name HD#  )  5.00  3.20  1.00
assi (resi  47  and name HB2  ) (resi  57  and name HE#  )  3.00  1.20  0.50
assi (resi  48  and name HB   ) (resi  56  and name HG1# )  5.00  3.20  1.00
assi (resi  48  and name HB   ) (resi  56  and name HG2# )  5.00  3.20  1.00
assi (resi  48  and name HA   ) (resi  57  and name HD#  )  4.00  2.20  0.75
assi (resi  48  and name HA   ) (resi  57  and name HE#  )  5.00  3.20  1.00
assi (resi  48  and name HB   ) (resi  57  and name HD#  )  5.00  3.20  1.00
assi (resi  48  and name HG2# ) (resi  57  and name HD#  )  5.00  3.20  1.00
assi (resi  48  and name HG2# ) (resi  57  and name HE#  )  5.00  3.20  1.00
assi (resi  49  and name HB#  ) (resi  54  and name HN   )  5.00  3.20  1.00
assi (resi  49  and name HA   ) (resi  56  and name HA   )  3.00  1.20  0.50
assi (resi  49  and name HA   ) (resi  56  and name HG1# )  5.00  3.20  1.00
assi (resi  49  and name HA   ) (resi  56  and name HG2# )  5.00  3.20  1.00
assi (resi  49  and name HB#  ) (resi  56  and name HA   )  3.00  1.20  0.50
assi (resi  49  and name HN   ) (resi  57  and name HD#  )  5.00  3.20  1.00
assi (resi  49  and name HN   ) (resi  57  and name HE#  )  4.00  2.20  0.75
assi (resi  49  and name HA   ) (resi  57  and name HN   )  3.00  1.20  0.50
assi (resi  49  and name HA   ) (resi  57  and name HD#  )  4.00  2.20  0.75
assi (resi  49  and name HA   ) (resi  57  and name HE#  )  5.00  3.20  1.00
assi (resi  49  and name HB#  ) (resi  57  and name HN   )  4.00  2.20  0.75
assi (resi  49  and name HB#  ) (resi  57  and name HD#  )  5.00  3.20  1.00
assi (resi  49  and name HB#  ) (resi  57  and name HE#  )  5.00  3.20  1.00
assi (resi  50  and name HN   ) (resi  55  and name HN   )  4.00  2.20  0.75
assi (resi  50  and name HB1  ) (resi  55  and name HN   )  4.00  2.20  0.75
assi (resi  50  and name HB2  ) (resi  55  and name HN   )  4.00  2.20  0.75
assi (resi  50  and name HN   ) (resi  56  and name HN   )  5.00  3.20  1.00
assi (resi  50  and name HN   ) (resi  56  and name HA   )  4.00  2.20  0.75
assi (resi  50  and name HN   ) (resi  56  and name HG1# )  5.00  3.20  1.00
assi (resi  50  and name HN   ) (resi  56  and name HG2# )  5.00  3.20  1.00
assi (resi  50  and name HN   ) (resi  57  and name HN   )  4.00  2.20  0.75
assi (resi  50  and name HN   ) (resi  57  and name HB2  )  5.00  3.20  1.00
assi (resi  50  and name HN   ) (resi  57  and name HD#  )  4.00  2.20  0.75
assi (resi  50  and name HA   ) (resi  57  and name HD#  )  5.00  3.20  1.00
assi (resi  50  and name HA   ) (resi  57  and name HE#  )  4.00  2.20  0.75
assi (resi  50  and name HB1  ) (resi  57  and name HE#  )  4.00  2.20  0.75
assi (resi  50  and name HB2  ) (resi  57  and name HD#  )  5.00  3.20  1.00
assi (resi  50  and name HB2  ) (resi  57  and name HE#  )  4.00  2.20  0.75

!Zinc co-ordination distance constraints

assign (resid   9 and name SG  ) (resid  61 and name ZN  ) 2.30 0.10 0.10
assign (resid  12 and name SG  ) (resid  61 and name ZN  ) 2.30 0.10 0.10
assign (resid  34 and name ND1 ) (resid  61 and name ZN  ) 2.30 0.10 0.10
assign (resid  37 and name SG  ) (resid  61 and name ZN  ) 2.30 0.10 0.10
assign (resid   9 and name SG  ) (resid  12 and name SG  ) 3.75 0.20 0.20
assign (resid   9 and name SG  ) (resid  34 and name ND1 ) 3.75 0.20 0.20
assign (resid   9 and name SG  ) (resid  37 and name SG  ) 3.75 0.20 0.20
assign (resid  12 and name SG  ) (resid  34 and name ND1 ) 3.75 0.20 0.20
assign (resid  12 and name SG  ) (resid  37 and name SG  ) 3.75 0.20 0.20
assign (resid  34 and name ND1 ) (resid  37 and name SG  ) 3.75 0.20 0.20
assign (resid  24 and name SG  ) (resid  62 and name ZN  ) 2.30 0.10 0.10
assign (resid  26 and name SG  ) (resid  62 and name ZN  ) 2.30 0.10 0.10
assign (resid  50 and name SG  ) (resid  62 and name ZN  ) 2.30 0.10 0.10
assign (resid  53 and name SG  ) (resid  62 and name ZN  ) 2.30 0.10 0.10
assign (resid  24 and name SG  ) (resid  26 and name SG  ) 3.75 0.20 0.20
assign (resid  24 and name SG  ) (resid  50 and name SG  ) 3.75 0.20 0.20
assign (resid  24 and name SG  ) (resid  53 and name SG  ) 3.75 0.20 0.20
assign (resid  26 and name SG  ) (resid  50 and name SG  ) 3.75 0.20 0.20
assign (resid  26 and name SG  ) (resid  53 and name SG  ) 3.75 0.20 0.20
assign (resid  50 and name SG  ) (resid  53 and name SG  ) 3.75 0.20 0.20

!Hydrogen bonds

assign (resid   9 and name HN ) (resid  14 and name O ) 1.95 0.15 0.15
assign (resid   9 and name N  ) (resid  14 and name O ) 2.90 0.20 0.20 
assign (resid  13 and name HN ) (resid   9 and name O ) 1.95 0.15 0.15
assign (resid  13 and name N  ) (resid   9 and name O ) 2.90 0.20 0.20 
assign (resid  16 and name HN ) (resid   7 and name O ) 1.95 0.15 0.15
assign (resid  16 and name N  ) (resid   7 and name O ) 2.90 0.20 0.20 
assign (resid  38 and name HN ) (resid  34 and name O ) 1.95 0.15 0.15
assign (resid  38 and name N  ) (resid  34 and name O ) 2.90 0.20 0.20 
assign (resid  41 and name HN ) (resid  37 and name O ) 1.95 0.15 0.15
assign (resid  41 and name N  ) (resid  37 and name O ) 2.90 0.20 0.20 
assign (resid  42 and name HN ) (resid  38 and name O ) 1.95 0.15 0.15
assign (resid  42 and name N  ) (resid  38 and name O ) 2.90 0.20 0.20 

!Zinc coordination Chi1 angle constraints

assign (resid  9 and name N ) (resid  9 and name CA)
       (resid  9 and name CB) (resid  9 and name SG) 1.0 180.0 45.0 2
assign (resid 12 and name N ) (resid 12 and name CA)
       (resid 12 and name CB) (resid 12 and name SG) 1.0  60.0 45.0 2
assign (resid 24 and name N ) (resid 24 and name CA)
       (resid 24 and name CB) (resid 24 and name SG) 1.0 180.0 45.0 2
assign (resid 26 and name N ) (resid 26 and name CA)
       (resid 26 and name CB) (resid 26 and name SG) 1.0 -60.0 45.0 2
assign (resid 34 and name N ) (resid 34 and name CA)
       (resid 34 and name CB) (resid 34 and name CG) 1.0 -60.0 45.0 2
assign (resid 37 and name N ) (resid 37 and name CA)
       (resid 37 and name CB) (resid 37 and name SG) 1.0  60.0 45.0 2
assign (resid 50 and name N ) (resid 50 and name CA)
       (resid 50 and name CB) (resid 50 and name SG) 1.0 180.0 45.0 2
assign (resid 53 and name N ) (resid 53 and name CA)
       (resid 53 and name CB) (resid 53 and name SG) 1.0  60.0 45.0 2

!Chi1 angle constraints

assign (resid 10 and name N ) (resid 10 and name CA)
       (resid 10 and name CB) (resid 10 and name CG) 1.0  60.0 45.0 2
assign (resid 16 and name N ) (resid 16 and name CA)
       (resid 16 and name CB) (resid 16 and name CG) 1.0  60.0 45.0 2
assign (resid 21 and name N ) (resid 21 and name CA)
       (resid 21 and name CB) (resid 21 and name CG) 1.0 180.0 45.0 2
assign (resid 32 and name N ) (resid 32 and name CA)
       (resid 32 and name CB) (resid 32 and name CG) 1.0 -60.0 45.0 2
assign (resid 35 and name N ) (resid 35 and name CA)
       (resid 35 and name CB) (resid 35 and name CG) 1.0 180.0 45.0 2
assign (resid 38 and name N ) (resid 38 and name CA)
       (resid 38 and name CB) (resid 38 and name CG) 1.0 180.0 45.0 2
assign (resid 41 and name N ) (resid 41 and name CA)
       (resid 41 and name CB) (resid 41 and name CG) 1.0 180.0 45.0 2
assign (resid 42 and name N ) (resid 42 and name CA)
       (resid 42 and name CB) (resid 42 and name CG) 1.0  60.0 45.0 2
assign (resid 47 and name N ) (resid 47 and name CA)
       (resid 47 and name CB) (resid 47 and name CG) 1.0 -60.0 45.0 2
assign (resid 57 and name N ) (resid 57 and name CA)
       (resid 57 and name CB) (resid 57 and name CG) 1.0 -60.0 45.0 2

!Chi1 angle constraints Valines

assign (resid  6 and name N ) (resid  6 and name CA)
       (resid  6 and name CB) (resid  6 and name CG1) 1.0 180.0 45.0 2
assign (resid  8 and name N ) (resid  8 and name CA)
       (resid  8 and name CB) (resid  8 and name CG1) 1.0 180.0 45.0 2
assign (resid 33 and name N ) (resid 33 and name CA)
       (resid 33 and name CB) (resid 33 and name CG2) 1.0 180.0 45.0 2
assign (resid 55 and name N ) (resid 55 and name CA)
       (resid 55 and name CB) (resid 55 and name CG1) 1.0 180.0 45.0 2
assign (resid 56 and name N ) (resid 56 and name CA)
       (resid 56 and name CB) (resid 56 and name CG1) 1.0 180.0 45.0 2

!Talos Phi angle constraints

assign (resid  5 and name C ) (resid  6 and name N )
       (resid  6 and name CA) (resid  6 and name C ) 1 -107.0 29.0 2
assign (resid  6 and name C ) (resid  7 and name N )
       (resid  7 and name CA) (resid  7 and name C ) 1  -88.0 34.0 2
assign (resid  7 and name C ) (resid  8 and name N )
       (resid  8 and name CA) (resid  8 and name C ) 1 -129.0 30.0 2
assign (resid  8 and name C ) (resid  9 and name N )
       (resid  9 and name CA) (resid  9 and name C ) 1  -87.0 23.0 2
assign (resid  9 and name C ) (resid 10 and name N )
       (resid 10 and name CA) (resid 10 and name C ) 1  -74.0 26.0 2
assign (resid 10 and name C ) (resid 11 and name N )
       (resid 11 and name CA) (resid 11 and name C ) 1  -64.0 20.0 2
assign (resid 11 and name C ) (resid 12 and name N )
       (resid 12 and name CA) (resid 12 and name C ) 1  -76.0 28.0 2
assign (resid 14 and name C ) (resid 15 and name N )
       (resid 15 and name CA) (resid 15 and name C ) 1  -94.0 36.0 2
assign (resid 16 and name C ) (resid 17 and name N )
       (resid 17 and name CA) (resid 17 and name C ) 1   90.0 22.0 2
assign (resid 18 and name C ) (resid 19 and name N )
       (resid 19 and name CA) (resid 19 and name C ) 1  -84.0 24.0 2
assign (resid 19 and name C ) (resid 20 and name N )
       (resid 20 and name CA) (resid 20 and name C ) 1  -91.0 28.0 2
assign (resid 20 and name C ) (resid 21 and name N )
       (resid 21 and name CA) (resid 21 and name C ) 1 -113.0 35.0 2
assign (resid 21 and name C ) (resid 22 and name N )
       (resid 22 and name CA) (resid 22 and name C ) 1 -111.0 37.0 2
assign (resid 26 and name C ) (resid 27 and name N )
       (resid 27 and name CA) (resid 27 and name C ) 1 -102.0 25.0 2
assign (resid 28 and name C ) (resid 29 and name N )
       (resid 29 and name CA) (resid 29 and name C ) 1  -61.0 19.0 2
assign (resid 29 and name C ) (resid 30 and name N )
       (resid 30 and name CA) (resid 30 and name C ) 1  -69.0 19.0 2
assign (resid 30 and name C ) (resid 31 and name N )
       (resid 31 and name CA) (resid 31 and name C ) 1  -86.0 37.0 2
assign (resid 31 and name C ) (resid 32 and name N )
       (resid 32 and name CA) (resid 32 and name C ) 1 -127.0 42.0 2
assign (resid 32 and name C ) (resid 33 and name N )
       (resid 33 and name CA) (resid 33 and name C ) 1 -124.0 24.0 2
assign (resid 33 and name C ) (resid 34 and name N )
       (resid 34 and name CA) (resid 34 and name C ) 1  -87.0 38.0 2
assign (resid 34 and name C ) (resid 35 and name N )
       (resid 35 and name CA) (resid 35 and name C ) 1  -66.0 15.0 2
assign (resid 35 and name C ) (resid 36 and name N )
       (resid 36 and name CA) (resid 36 and name C ) 1  -65.0 14.0 2
assign (resid 36 and name C ) (resid 37 and name N )
       (resid 37 and name CA) (resid 37 and name C ) 1  -66.0 15.0 2
assign (resid 37 and name C ) (resid 38 and name N )
       (resid 38 and name CA) (resid 38 and name C ) 1  -65.0 16.0 2
assign (resid 38 and name C ) (resid 39 and name N )
       (resid 39 and name CA) (resid 39 and name C ) 1  -65.0 18.0 2
assign (resid 39 and name C ) (resid 40 and name N )
       (resid 40 and name CA) (resid 40 and name C ) 1  -69.0 18.0 2
assign (resid 40 and name C ) (resid 41 and name N )
       (resid 41 and name CA) (resid 41 and name C ) 1  -65.0 15.0 2
assign (resid 41 and name C ) (resid 42 and name N )
       (resid 42 and name CA) (resid 42 and name C ) 1  -65.0 17.0 2
assign (resid 42 and name C ) (resid 43 and name N )
       (resid 43 and name CA) (resid 43 and name C ) 1  -66.0 19.0 2
assign (resid 43 and name C ) (resid 44 and name N )
       (resid 44 and name CA) (resid 44 and name C ) 1  -63.0 17.0 2
assign (resid 44 and name C ) (resid 45 and name N )
       (resid 45 and name CA) (resid 45 and name C ) 1  -78.0 28.0 2
assign (resid 48 and name C ) (resid 49 and name N )
       (resid 49 and name CA) (resid 49 and name C ) 1 -114.0 38.0 2
assign (resid 49 and name C ) (resid 50 and name N )
       (resid 50 and name CA) (resid 50 and name C ) 1  -72.0 29.0 2
assign (resid 50 and name C ) (resid 51 and name N )
       (resid 51 and name CA) (resid 51 and name C ) 1  -81.0 25.0 2
assign (resid 51 and name C ) (resid 52 and name N )
       (resid 52 and name CA) (resid 52 and name C ) 1  -75.0 29.0 2
assign (resid 52 and name C ) (resid 53 and name N )
       (resid 53 and name CA) (resid 53 and name C ) 1  -97.0 24.0 2
assign (resid 53 and name C ) (resid 54 and name N )
       (resid 54 and name CA) (resid 54 and name C ) 1   59.0 32.0 2
assign (resid 54 and name C ) (resid 55 and name N )
       (resid 55 and name CA) (resid 55 and name C ) 1  -92.0 31.0 2
assign (resid 55 and name C ) (resid 56 and name N )
       (resid 56 and name CA) (resid 56 and name C ) 1  -79.0 29.0 2
assign (resid 58 and name C ) (resid 59 and name N )
       (resid 59 and name CA) (resid 59 and name C ) 1  -98.0 38.0 2

!Talos Psi angle restraints

assign (resid  6 and name N ) (resid  6 and name CA)
       (resid  6 and name C ) (resid  7 and name N ) 1  126.0 30.0 2
assign (resid  7 and name N ) (resid  7 and name CA)
       (resid  7 and name C ) (resid  8 and name N ) 1  131.0 30.0 2
assign (resid  8 and name N ) (resid  8 and name CA)
       (resid  8 and name C ) (resid  9 and name N ) 1  155.0 23.0 2
assign (resid  9 and name N ) (resid  9 and name CA)
       (resid  9 and name C ) (resid 10 and name N ) 1  127.0 28.0 2
assign (resid 10 and name N ) (resid 10 and name CA)
       (resid 10 and name C ) (resid 11 and name N ) 1  -25.0 23.0 2
assign (resid 11 and name N ) (resid 11 and name CA)
       (resid 11 and name C ) (resid 12 and name N ) 1  -36.0 21.0 2
assign (resid 12 and name N ) (resid 12 and name CA)
       (resid 12 and name C ) (resid 13 and name N ) 1  -30.0 33.0 2
assign (resid 15 and name N ) (resid 15 and name CA)
       (resid 15 and name C ) (resid 16 and name N ) 1  157.0 27.0 2
assign (resid 17 and name N ) (resid 17 and name CA)
       (resid 17 and name C ) (resid 18 and name N ) 1   -7.0 21.0 2
assign (resid 19 and name N ) (resid 19 and name CA)
       (resid 19 and name C ) (resid 20 and name N ) 1  136.0 32.0 2
assign (resid 20 and name N ) (resid 20 and name CA)
       (resid 20 and name C ) (resid 21 and name N ) 1  133.0 35.0 2
assign (resid 21 and name N ) (resid 21 and name CA)
       (resid 21 and name C ) (resid 22 and name N ) 1  124.0 25.0 2
assign (resid 22 and name N ) (resid 22 and name CA)
       (resid 22 and name C ) (resid 23 and name N ) 1  116.0 28.0 2
assign (resid 27 and name N ) (resid 27 and name CA)
       (resid 27 and name C ) (resid 28 and name N ) 1    7.0 22.0 2
assign (resid 29 and name N ) (resid 29 and name CA)
       (resid 29 and name C ) (resid 30 and name N ) 1  -36.0 25.0 2
assign (resid 30 and name N ) (resid 30 and name CA)
       (resid 30 and name C ) (resid 31 and name N ) 1  -30.0 21.0 2
assign (resid 31 and name N ) (resid 31 and name CA)
       (resid 31 and name C ) (resid 32 and name N ) 1  -31.0 38.0 2
assign (resid 32 and name N ) (resid 32 and name CA)
       (resid 32 and name C ) (resid 33 and name N ) 1  144.0 21.0 2
assign (resid 33 and name N ) (resid 33 and name CA)
       (resid 33 and name C ) (resid 34 and name N ) 1  146.0 32.0 2
assign (resid 34 and name N ) (resid 34 and name CA)
       (resid 34 and name C ) (resid 35 and name N ) 1  136.0 34.0 2
assign (resid 35 and name N ) (resid 35 and name CA)
       (resid 35 and name C ) (resid 36 and name N ) 1  -36.0 20.0 2
assign (resid 36 and name N ) (resid 36 and name CA)
       (resid 36 and name C ) (resid 37 and name N ) 1  -39.0 22.0 2
assign (resid 37 and name N ) (resid 37 and name CA)
       (resid 37 and name C ) (resid 38 and name N ) 1  -39.0 19.0 2
assign (resid 38 and name N ) (resid 38 and name CA)
       (resid 38 and name C ) (resid 39 and name N ) 1  -40.0 19.0 2
assign (resid 39 and name N ) (resid 39 and name CA)
       (resid 39 and name C ) (resid 40 and name N ) 1  -42.0 15.0 2
assign (resid 40 and name N ) (resid 40 and name CA)
       (resid 40 and name C ) (resid 41 and name N ) 1  -41.0 15.0 2
assign (resid 41 and name N ) (resid 41 and name CA)
       (resid 41 and name C ) (resid 42 and name N ) 1  -41.0 16.0 2
assign (resid 42 and name N ) (resid 42 and name CA)
       (resid 42 and name C ) (resid 43 and name N ) 1  -39.0 19.0 2
assign (resid 43 and name N ) (resid 43 and name CA)
       (resid 43 and name C ) (resid 44 and name N ) 1  -35.0 17.0 2
assign (resid 44 and name N ) (resid 44 and name CA)
       (resid 44 and name C ) (resid 45 and name N ) 1  -35.0 18.0 2
assign (resid 45 and name N ) (resid 45 and name CA)
       (resid 45 and name C ) (resid 46 and name N ) 1  -19.0 32.0 2
assign (resid 49 and name N ) (resid 49 and name CA)
       (resid 49 and name C ) (resid 50 and name N ) 1  146.0 44.0 2
assign (resid 50 and name N ) (resid 50 and name CA)
       (resid 50 and name C ) (resid 51 and name N ) 1  123.0 29.0 2
assign (resid 51 and name N ) (resid 51 and name CA)
       (resid 51 and name C ) (resid 52 and name N ) 1  -17.0 27.0 2
assign (resid 52 and name N ) (resid 52 and name CA)
       (resid 52 and name C ) (resid 53 and name N ) 1  -33.0 22.0 2
assign (resid 53 and name N ) (resid 53 and name CA)
       (resid 53 and name C ) (resid 54 and name N ) 1    8.0 25.0 2
assign (resid 54 and name N ) (resid 54 and name CA)
       (resid 54 and name C ) (resid 55 and name N ) 1   29.0 36.0 2
assign (resid 55 and name N ) (resid 55 and name CA)
       (resid 55 and name C ) (resid 56 and name N ) 1  127.0 23.0 2
assign (resid 56 and name N ) (resid 56 and name CA)
       (resid 56 and name C ) (resid 57 and name N ) 1  128.0 28.0 2
assign (resid 59 and name N ) (resid 59 and name CA)
       (resid 59 and name C ) (resid 60 and name N ) 1  146.0 29.0 2
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   MET   1           HT2      MET   1  19.274  -3.084  11.930
    2    H2   MET   1           HT1      MET   1  19.098  -4.768  11.775
    3    H3   MET   1           HT3      MET   1  18.590  -3.744  10.522
    4    HA   MET   1           HA       MET   1  16.660  -4.499  11.741
    5   1HB   MET   1           HB2      MET   1  18.382  -3.490  14.016
    6   2HB   MET   1           HB1      MET   1  16.654  -3.787  14.213
    7   1HG   MET   1           HG2      MET   1  17.179  -6.122  13.175
    8   2HG   MET   1           HG1      MET   1  18.848  -5.760  13.612
    9   1HE   MET   1           HE1      MET   1  19.332  -7.333  14.810
   10   2HE   MET   1           HE3      MET   1  19.618  -6.642  16.413
   11   3HE   MET   1           HE2      MET   1  18.567  -8.044  16.229
   12    H    GLU   2           HN       GLU   2  17.242  -2.325  10.065
   13    HA   GLU   2           HA       GLU   2  16.448   0.178  11.399
   14   1HB   GLU   2           HB2      GLU   2  17.907  -0.583   9.158
   15   2HB   GLU   2           HB1      GLU   2  16.416   0.063   8.472
   16   1HG   GLU   2           HG2      GLU   2  17.142   1.819  10.565
   17   2HG   GLU   2           HG1      GLU   2  18.621   1.494   9.659
   18    H    ASP   3           HN       ASP   3  14.855  -2.507  10.045
   19    HA   ASP   3           HA       ASP   3  12.587  -1.299   8.789
   20   1HB   ASP   3           HB2      ASP   3  12.813  -3.905  10.327
   21   2HB   ASP   3           HB1      ASP   3  11.639  -3.538   9.063
   22    H    GLU   4           HN       GLU   4  13.549  -1.257  12.046
   23    HA   GLU   4           HA       GLU   4  11.236  -1.526  13.588
   24   1HB   GLU   4           HB2      GLU   4  12.360   0.156  15.057
   25   2HB   GLU   4           HB1      GLU   4  13.483  -1.064  14.454
   26   1HG   GLU   4           HG2      GLU   4  13.843   0.648  12.489
   27   2HG   GLU   4           HG1      GLU   4  13.207   1.816  13.648
   28    H    ASP   5           HN       ASP   5  10.272   0.671  14.685
   29    HA   ASP   5           HA       ASP   5   8.928   2.603  14.397
   30   1HB   ASP   5           HB2      ASP   5  11.099   3.018  12.867
   31   2HB   ASP   5           HB1      ASP   5   9.889   2.917  11.589
   32    H    VAL   6           HN       VAL   6   6.879   3.092  13.383
   33    HA   VAL   6           HA       VAL   6   5.818   0.835  11.734
   34    HB   VAL   6           HB       VAL   6   4.429   2.959  13.402
   35   1HG1  VAL   6          2HG1      VAL   6   3.367   1.430  11.387
   36   2HG1  VAL   6          1HG1      VAL   6   3.090   0.403  12.793
   37   3HG1  VAL   6          3HG1      VAL   6   2.448   2.045  12.761
   38   1HG2  VAL   6          3HG2      VAL   6   5.983   1.048  14.445
   39   2HG2  VAL   6          2HG2      VAL   6   4.452   1.499  15.196
   40   3HG2  VAL   6          1HG2      VAL   6   4.543   0.070  14.166
   41    HA   PRO   7           HA       PRO   7   5.746   3.849   8.432
   42   1HB   PRO   7           HB2      PRO   7   4.702   2.174   6.542
   43   2HB   PRO   7           HB1      PRO   7   6.407   2.128   7.033
   44   1HG   PRO   7           HG2      PRO   7   4.156   0.363   7.843
   45   2HG   PRO   7           HG1      PRO   7   5.842  -0.048   7.496
   46   1HD   PRO   7           HD2      PRO   7   4.839   0.187  10.022
   47   2HD   PRO   7           HD1      PRO   7   6.543   0.481   9.610
   48    H    VAL   8           HN       VAL   8   3.990   4.835   7.099
   49    HA   VAL   8           HA       VAL   8   1.272   4.313   8.255
   50    HB   VAL   8           HB       VAL   8   2.339   6.954   7.248
   51   1HG1  VAL   8          3HG1      VAL   8  -0.199   6.204   7.846
   52   2HG1  VAL   8          2HG1      VAL   8   0.351   6.728   9.438
   53   3HG1  VAL   8          1HG1      VAL   8   0.403   7.846   8.075
   54   1HG2  VAL   8          1HG2      VAL   8   3.059   5.477   9.652
   55   2HG2  VAL   8          3HG2      VAL   8   3.729   6.985   9.030
   56   3HG2  VAL   8          2HG2      VAL   8   2.290   7.013  10.050
   57    H    CYS   9           HN       CYS   9  -0.424   4.170   6.802
   58    HA   CYS   9           HA       CYS   9   0.098   3.605   4.045
   59   1HB   CYS   9           HB2      CYS   9  -1.818   2.690   5.181
   60   2HB   CYS   9           HB1      CYS   9  -2.390   4.296   5.633
   61    H    TRP  10           HN       TRP  10   0.669   5.096   2.553
   62    HA   TRP  10           HA       TRP  10   0.546   7.924   2.891
   63   1HB   TRP  10           HB2      TRP  10   1.215   7.891   0.503
   64   2HB   TRP  10           HB1      TRP  10   2.110   6.703   1.449
   65    HD1  TRP  10           HD1      TRP  10   1.526   4.127   1.098
   66    HE1  TRP  10           HE1      TRP  10   0.323   2.889  -0.819
   67    HE3  TRP  10           HE3      TRP  10  -0.683   8.081  -1.271
   68    HZ2  TRP  10           HZ2      TRP  10  -1.354   3.492  -3.056
   69    HZ3  TRP  10           HZ3      TRP  10  -2.076   7.720  -3.288
   70    HH2  TRP  10           HH2      TRP  10  -2.415   5.432  -4.183
   71    H    ILE  11           HN       ILE  11  -1.962   5.737   1.957
   72    HA   ILE  11           HA       ILE  11  -3.415   7.675   0.294
   73    HB   ILE  11           HB       ILE  11  -4.380   5.083   1.531
   74   1HG1  ILE  11          2HG1      ILE  11  -2.790   5.546  -1.015
   75   2HG1  ILE  11          1HG1      ILE  11  -2.231   4.680   0.416
   76   1HG2  ILE  11          2HG2      ILE  11  -5.352   6.986  -0.501
   77   2HG2  ILE  11          1HG2      ILE  11  -5.387   5.300  -1.017
   78   3HG2  ILE  11          3HG2      ILE  11  -6.245   5.794   0.442
   79   1HD1  ILE  11          3HD1      ILE  11  -4.607   3.878  -1.289
   80   2HD1  ILE  11          2HD1      ILE  11  -3.014   3.122  -1.346
   81   3HD1  ILE  11          1HD1      ILE  11  -3.996   3.002   0.114
   82    H    CYS  12           HN       CYS  12  -4.196   6.058   3.418
   83    HA   CYS  12           HA       CYS  12  -6.083   8.291   4.004
   84   1HB   CYS  12           HB2      CYS  12  -7.009   6.728   5.613
   85   2HB   CYS  12           HB1      CYS  12  -6.738   5.857   4.103
   86    H    ASN  13           HN       ASN  13  -2.887   7.658   4.525
   87    HA   ASN  13           HA       ASN  13  -1.313   8.497   6.071
   88   1HB   ASN  13           HB2      ASN  13  -3.727  10.247   6.182
   89   2HB   ASN  13           HB1      ASN  13  -2.516  10.471   7.445
   90   1HD2  ASN  13          1HD2      ASN  13  -0.908  11.937   6.884
   91   2HD2  ASN  13          2HD2      ASN  13  -0.395  12.269   5.300
   92    H    GLU  14           HN       GLU  14  -2.134   6.156   6.995
   93    HA   GLU  14           HA       GLU  14  -2.588   6.629   9.909
   94   1HB   GLU  14           HB2      GLU  14  -4.757   6.083   9.051
   95   2HB   GLU  14           HB1      GLU  14  -4.102   4.807   8.025
   96   1HG   GLU  14           HG2      GLU  14  -3.739   3.359   9.825
   97   2HG   GLU  14           HG1      GLU  14  -3.730   4.671  11.004
   98    H    GLU  15           HN       GLU  15  -1.185   5.391  11.127
   99    HA   GLU  15           HA       GLU  15   0.938   3.901   9.972
  100   1HB   GLU  15           HB2      GLU  15  -0.132   4.605  12.575
  101   2HB   GLU  15           HB1      GLU  15   0.521   2.966  12.586
  102   1HG   GLU  15           HG2      GLU  15   2.467   4.133  13.006
  103   2HG   GLU  15           HG1      GLU  15   2.505   4.152  11.243
  104    H    LEU  16           HN       LEU  16   1.149   1.766   9.402
  105    HA   LEU  16           HA       LEU  16  -1.202  -0.021   9.905
  106   1HB   LEU  16           HB2      LEU  16  -0.192  -1.184   7.790
  107   2HB   LEU  16           HB1      LEU  16  -1.090   0.312   7.575
  108    HG   LEU  16           HG       LEU  16   1.895   0.368   7.974
  109   1HD1  LEU  16          2HD1      LEU  16   0.422  -0.745   5.723
  110   2HD1  LEU  16          1HD1      LEU  16   1.392   0.644   5.237
  111   3HD1  LEU  16          3HD1      LEU  16   2.160  -0.737   6.022
  112   1HD2  LEU  16          1HD2      LEU  16  -0.019   2.351   7.750
  113   2HD2  LEU  16          3HD2      LEU  16   1.698   2.559   7.399
  114   3HD2  LEU  16          2HD2      LEU  16   0.569   2.201   6.093
  115    H    GLY  17           HN       GLY  17   2.261   0.389  10.014
  116   1HA   GLY  17           HA1      GLY  17   2.547  -1.696  12.004
  117   2HA   GLY  17           HA2      GLY  17   3.844  -0.705  11.354
  118    H    ASN  18           HN       ASN  18   1.745  -2.725   9.301
  119    HA   ASN  18           HA       ASN  18   3.878  -3.900   7.872
  120   1HB   ASN  18           HB2      ASN  18   3.872  -6.174   9.050
  121   2HB   ASN  18           HB1      ASN  18   4.678  -4.872   9.913
  122   1HD2  ASN  18          1HD2      ASN  18   2.844  -7.418  10.626
  123   2HD2  ASN  18          2HD2      ASN  18   1.867  -6.797  11.867
  124    H    GLU  19           HN       GLU  19   1.086  -3.134   7.419
  125    HA   GLU  19           HA       GLU  19  -0.680  -5.368   7.239
  126   1HB   GLU  19           HB2      GLU  19  -0.891  -2.746   6.809
  127   2HB   GLU  19           HB1      GLU  19  -0.610  -3.230   5.136
  128   1HG   GLU  19           HG2      GLU  19  -3.010  -3.204   5.562
  129   2HG   GLU  19           HG1      GLU  19  -2.482  -4.873   5.340
  130    H    ARG  20           HN       ARG  20   0.081  -7.270   6.291
  131    HA   ARG  20           HA       ARG  20   2.018  -7.418   4.203
  132   1HB   ARG  20           HB2      ARG  20   1.146  -9.766   4.031
  133   2HB   ARG  20           HB1      ARG  20   1.471  -9.268   5.691
  134   1HG   ARG  20           HG2      ARG  20  -0.655  -9.786   6.209
  135   2HG   ARG  20           HG1      ARG  20  -1.189  -8.482   5.147
  136   1HD   ARG  20           HD2      ARG  20  -1.670  -9.923   3.396
  137   2HD   ARG  20           HD1      ARG  20  -0.423 -11.089   3.879
  138    HE   ARG  20           HE       ARG  20  -1.942 -12.010   5.478
  139   1HH1  ARG  20          1HH1      ARG  20  -3.981 -11.463   3.336
  140   2HH1  ARG  20          2HH1      ARG  20  -5.210 -10.620   4.220
  141   1HH2  ARG  20          1HH2      ARG  20  -3.153  -9.915   6.922
  142   2HH2  ARG  20          2HH2      ARG  20  -4.740  -9.744   6.250
  143    H    PHE  21           HN       PHE  21   1.479  -6.069   2.450
  144    HA   PHE  21           HA       PHE  21  -0.633  -7.120   0.654
  145   1HB   PHE  21           HB2      PHE  21  -1.838  -5.474   1.904
  146   2HB   PHE  21           HB1      PHE  21  -0.487  -4.345   1.853
  147    HD1  PHE  21           HD1      PHE  21  -1.201  -6.253  -1.173
  148    HD2  PHE  21           HD2      PHE  21  -2.062  -2.624   0.955
  149    HE1  PHE  21           HE1      PHE  21  -2.108  -5.246  -3.252
  150    HE2  PHE  21           HE2      PHE  21  -2.966  -1.620  -1.115
  151    HZ   PHE  21           HZ       PHE  21  -2.989  -2.926  -3.224
  152    H    ARG  22           HN       ARG  22   0.937  -7.658  -0.914
  153    HA   ARG  22           HA       ARG  22   3.135  -5.894  -1.616
  154   1HB   ARG  22           HB2      ARG  22   2.147  -8.537  -2.183
  155   2HB   ARG  22           HB1      ARG  22   2.511  -7.726  -3.707
  156   1HG   ARG  22           HG2      ARG  22   4.735  -7.036  -2.623
  157   2HG   ARG  22           HG1      ARG  22   4.366  -8.228  -1.375
  158   1HD   ARG  22           HD2      ARG  22   3.948  -9.826  -3.443
  159   2HD   ARG  22           HD1      ARG  22   5.004  -8.667  -4.276
  160    HE   ARG  22           HE       ARG  22   5.888 -10.560  -2.307
  161   1HH1  ARG  22          1HH1      ARG  22   6.944  -8.095  -4.245
  162   2HH1  ARG  22          2HH1      ARG  22   8.204  -7.541  -3.195
  163   1HH2  ARG  22          1HH2      ARG  22   7.191  -9.493  -0.513
  164   2HH2  ARG  22          2HH2      ARG  22   8.345  -8.332  -1.081
  165    H    ALA  23           HN       ALA  23   2.250  -3.850  -2.234
  166    HA   ALA  23           HA       ALA  23   0.529  -3.915  -4.688
  167   1HB   ALA  23           HB2      ALA  23   0.030  -2.869  -2.158
  168   2HB   ALA  23           HB1      ALA  23   0.506  -1.459  -3.104
  169   3HB   ALA  23           HB3      ALA  23  -0.848  -2.458  -3.631
  170    H    CYS  24           HN       CYS  24   3.582  -3.148  -3.508
  171    HA   CYS  24           HA       CYS  24   4.560  -2.032  -5.917
  172   1HB   CYS  24           HB2      CYS  24   3.305  -0.102  -5.750
  173   2HB   CYS  24           HB1      CYS  24   3.221  -0.178  -3.996
  174    H    GLY  25           HN       GLY  25   6.749  -1.021  -5.587
  175   1HA   GLY  25           HA1      GLY  25   8.733  -2.257  -4.472
  176   2HA   GLY  25           HA2      GLY  25   7.966  -1.764  -2.960
  177    H    CYS  26           HN       CYS  26   7.259   0.790  -3.310
  178    HA   CYS  26           HA       CYS  26   9.246   2.403  -4.697
  179   1HB   CYS  26           HB2      CYS  26   6.798   2.710  -3.083
  180   2HB   CYS  26           HB1      CYS  26   7.946   4.036  -2.902
  181    H    THR  27           HN       THR  27   9.796   4.382  -2.777
  182    HA   THR  27           HA       THR  27  11.435   2.901  -0.745
  183    HB   THR  27           HB       THR  27  12.685   5.353  -1.487
  184    HG1  THR  27           HG1      THR  27  12.595   5.380  -3.602
  185   1HG2  THR  27          3HG2      THR  27  13.480   2.881  -0.843
  186   2HG2  THR  27          2HG2      THR  27  13.619   2.749  -2.596
  187   3HG2  THR  27          1HG2      THR  27  14.523   3.992  -1.731
  188    H    GLY  28           HN       GLY  28   8.774   4.540  -0.778
  189   1HA   GLY  28           HA1      GLY  28   8.547   6.915   0.303
  190   2HA   GLY  28           HA2      GLY  28   9.510   6.191   1.590
  191    H    GLU  29           HN       GLU  29   6.694   7.219   1.541
  192    HA   GLU  29           HA       GLU  29   5.458   5.448   3.347
  193   1HB   GLU  29           HB2      GLU  29   3.431   6.782   2.762
  194   2HB   GLU  29           HB1      GLU  29   4.858   7.800   2.978
  195   1HG   GLU  29           HG2      GLU  29   5.216   7.610   0.460
  196   2HG   GLU  29           HG1      GLU  29   3.602   6.906   0.373
  197    H    LEU  30           HN       LEU  30   5.092   5.642  -0.199
  198    HA   LEU  30           HA       LEU  30   2.945   3.922  -0.616
  199   1HB   LEU  30           HB2      LEU  30   4.746   5.228  -2.147
  200   2HB   LEU  30           HB1      LEU  30   5.319   3.573  -2.365
  201    HG   LEU  30           HG       LEU  30   3.674   3.997  -4.084
  202   1HD1  LEU  30          2HD1      LEU  30   2.456   2.412  -1.804
  203   2HD1  LEU  30          1HD1      LEU  30   1.958   2.310  -3.493
  204   3HD1  LEU  30          3HD1      LEU  30   3.572   1.781  -3.015
  205   1HD2  LEU  30          3HD2      LEU  30   2.159   5.168  -1.771
  206   2HD2  LEU  30          2HD2      LEU  30   2.380   5.811  -3.398
  207   3HD2  LEU  30          1HD2      LEU  30   1.253   4.482  -3.123
  208    H    GLU  31           HN       GLU  31   6.284   3.023   0.165
  209    HA   GLU  31           HA       GLU  31   6.247   0.274  -0.384
  210   1HB   GLU  31           HB2      GLU  31   7.563   2.113   1.544
  211   2HB   GLU  31           HB1      GLU  31   7.641   0.396   1.945
  212   1HG   GLU  31           HG2      GLU  31   8.207   1.104  -0.884
  213   2HG   GLU  31           HG1      GLU  31   9.419   1.595   0.298
  214    H    ASN  32           HN       ASN  32   4.722   2.012   2.318
  215    HA   ASN  32           HA       ASN  32   3.514  -0.599   3.186
  216   1HB   ASN  32           HB2      ASN  32   4.097   1.902   4.798
  217   2HB   ASN  32           HB1      ASN  32   3.524   0.363   5.429
  218   1HD2  ASN  32          1HD2      ASN  32   6.276   2.154   5.167
  219   2HD2  ASN  32          2HD2      ASN  32   7.435   0.912   5.132
  220    H    VAL  33           HN       VAL  33   1.346  -0.634   2.723
  221    HA   VAL  33           HA       VAL  33  -0.264   1.804   3.221
  222    HB   VAL  33           HB       VAL  33   0.485   2.042   0.926
  223   1HG1  VAL  33          3HG1      VAL  33   1.016  -0.432   0.690
  224   2HG1  VAL  33          2HG1      VAL  33  -0.703  -0.690   0.390
  225   3HG1  VAL  33          1HG1      VAL  33   0.246   0.304  -0.715
  226   1HG2  VAL  33          1HG2      VAL  33  -2.349   1.048   1.248
  227   2HG2  VAL  33          3HG2      VAL  33  -1.785   2.718   1.248
  228   3HG2  VAL  33          2HG2      VAL  33  -1.762   1.780  -0.247
  229    H    HIS  34           HN       HIS  34  -2.396   1.275   3.816
  230    HA   HIS  34           HA       HIS  34  -3.030  -1.442   4.548
  231   1HB   HIS  34           HB2      HIS  34  -4.744   1.008   4.091
  232   2HB   HIS  34           HB1      HIS  34  -5.307  -0.450   4.889
  233    HD2  HIS  34           HD2      HIS  34  -3.460  -1.035   7.276
  234    HE1  HIS  34           HE1      HIS  34  -3.087   3.122   7.983
  235    HE2  HIS  34           HE2      HIS  34  -2.772   0.817   8.956
  236    H    ARG  35           HN       ARG  35  -3.889  -3.054   3.249
  237    HA   ARG  35           HA       ARG  35  -4.318  -2.641   0.421
  238   1HB   ARG  35           HB2      ARG  35  -3.630  -4.784   1.232
  239   2HB   ARG  35           HB1      ARG  35  -4.940  -4.831   2.414
  240   1HG   ARG  35           HG2      ARG  35  -6.584  -5.182   0.751
  241   2HG   ARG  35           HG1      ARG  35  -5.499  -4.675  -0.546
  242   1HD   ARG  35           HD2      ARG  35  -5.741  -7.144  -0.506
  243   2HD   ARG  35           HD1      ARG  35  -4.077  -6.669  -0.110
  244    HE   ARG  35           HE       ARG  35  -4.790  -6.858   2.328
  245   1HH1  ARG  35          1HH1      ARG  35  -4.704  -9.500   0.659
  246   2HH1  ARG  35          2HH1      ARG  35  -6.104 -10.296   1.297
  247   1HH2  ARG  35          1HH2      ARG  35  -7.370  -7.434   2.797
  248   2HH2  ARG  35          2HH2      ARG  35  -7.615  -9.124   2.509
  249    H    SER  36           HN       SER  36  -6.265  -2.232   3.229
  250    HA   SER  36           HA       SER  36  -8.882  -2.655   2.138
  251   1HB   SER  36           HB2      SER  36  -7.811  -0.920   4.379
  252   2HB   SER  36           HB1      SER  36  -9.523  -1.242   4.120
  253    HG   SER  36           HG       SER  36  -8.054  -2.669   5.567
  254    H    CYS  37           HN       CYS  37  -7.243   0.490   2.811
  255    HA   CYS  37           HA       CYS  37  -9.190   1.877   1.116
  256   1HB   CYS  37           HB2      CYS  37  -7.723   3.860   1.702
  257   2HB   CYS  37           HB1      CYS  37  -8.392   2.993   3.075
  258    HG   CYS  37           HG       CYS  37  -5.472   2.415   2.135
  259    H    LEU  38           HN       LEU  38  -5.912   0.621   0.649
  260    HA   LEU  38           HA       LEU  38  -5.385   2.231  -1.722
  261   1HB   LEU  38           HB2      LEU  38  -3.540   1.304  -0.502
  262   2HB   LEU  38           HB1      LEU  38  -4.234  -0.316  -0.556
  263    HG   LEU  38           HG       LEU  38  -3.785  -0.554  -2.878
  264   1HD1  LEU  38          2HD1      LEU  38  -3.891   2.382  -2.819
  265   2HD1  LEU  38          1HD1      LEU  38  -2.602   1.745  -3.840
  266   3HD1  LEU  38          3HD1      LEU  38  -4.274   1.267  -4.131
  267   1HD2  LEU  38          2HD2      LEU  38  -1.738  -0.028  -1.088
  268   2HD2  LEU  38          1HD2      LEU  38  -1.536  -0.730  -2.692
  269   3HD2  LEU  38          3HD2      LEU  38  -1.340   1.007  -2.459
  270    H    SER  39           HN       SER  39  -6.050  -1.272  -1.372
  271    HA   SER  39           HA       SER  39  -6.461  -1.935  -4.050
  272   1HB   SER  39           HB2      SER  39  -6.414  -3.407  -1.990
  273   2HB   SER  39           HB1      SER  39  -8.072  -2.906  -1.667
  274    HG   SER  39           HG       SER  39  -8.750  -4.098  -3.285
  275    H    THR  40           HN       THR  40  -8.819  -0.559  -1.741
  276    HA   THR  40           HA       THR  40 -10.990  -0.524  -3.693
  277    HB   THR  40           HB       THR  40 -11.122  -0.657  -1.144
  278    HG1  THR  40           HG1      THR  40 -13.030  -0.211  -1.967
  279   1HG2  THR  40          2HG2      THR  40  -9.477   1.132  -0.693
  280   2HG2  THR  40          1HG2      THR  40 -10.570   2.311  -1.419
  281   3HG2  THR  40          3HG2      THR  40 -11.030   1.481   0.066
  282    H    TRP  41           HN       TRP  41  -8.612   1.814  -2.458
  283    HA   TRP  41           HA       TRP  41  -9.670   4.175  -3.643
  284   1HB   TRP  41           HB2      TRP  41  -7.948   4.407  -2.053
  285   2HB   TRP  41           HB1      TRP  41  -6.946   3.177  -2.817
  286    HD1  TRP  41           HD1      TRP  41  -8.172   6.781  -3.357
  287    HE1  TRP  41           HE1      TRP  41  -6.483   8.005  -4.873
  288    HE3  TRP  41           HE3      TRP  41  -5.055   2.906  -4.511
  289    HZ2  TRP  41           HZ2      TRP  41  -4.119   7.415  -6.377
  290    HZ3  TRP  41           HZ3      TRP  41  -3.095   3.263  -5.983
  291    HH2  TRP  41           HH2      TRP  41  -2.624   5.510  -6.918
  292    H    LEU  42           HN       LEU  42  -7.034   2.072  -4.916
  293    HA   LEU  42           HA       LEU  42  -6.813   3.275  -7.461
  294   1HB   LEU  42           HB2      LEU  42  -5.997   0.953  -8.123
  295   2HB   LEU  42           HB1      LEU  42  -5.216   1.646  -6.704
  296    HG   LEU  42           HG       LEU  42  -7.278   0.365  -5.502
  297   1HD1  LEU  42          2HD1      LEU  42  -7.330  -0.593  -8.169
  298   2HD1  LEU  42          1HD1      LEU  42  -6.653  -1.885  -7.177
  299   3HD1  LEU  42          3HD1      LEU  42  -8.234  -1.211  -6.786
  300   1HD2  LEU  42          2HD2      LEU  42  -4.461  -0.179  -6.071
  301   2HD2  LEU  42          1HD2      LEU  42  -5.346  -0.350  -4.557
  302   3HD2  LEU  42          3HD2      LEU  42  -5.381  -1.648  -5.749
  303    H    THR  43           HN       THR  43  -9.149   0.902  -6.257
  304    HA   THR  43           HA       THR  43 -10.353   0.240  -8.784
  305    HB   THR  43           HB       THR  43 -11.513   0.344  -5.976
  306    HG1  THR  43           HG1      THR  43 -10.683  -1.655  -5.742
  307   1HG2  THR  43          3HG2      THR  43 -12.629  -0.383  -8.531
  308   2HG2  THR  43          2HG2      THR  43 -12.538  -1.809  -7.497
  309   3HG2  THR  43          1HG2      THR  43 -13.407  -0.375  -6.949
  310    H    ILE  44           HN       ILE  44 -11.006   2.761  -6.353
  311    HA   ILE  44           HA       ILE  44 -13.274   3.889  -7.808
  312    HB   ILE  44           HB       ILE  44 -11.559   4.598  -5.428
  313   1HG1  ILE  44          2HG1      ILE  44 -14.396   4.702  -5.016
  314   2HG1  ILE  44          1HG1      ILE  44 -14.015   3.224  -5.900
  315   1HG2  ILE  44          2HG2      ILE  44 -13.728   6.337  -6.647
  316   2HG2  ILE  44          1HG2      ILE  44 -12.944   6.619  -5.092
  317   3HG2  ILE  44          3HG2      ILE  44 -12.010   6.730  -6.584
  318   1HD1  ILE  44          3HD1      ILE  44 -12.049   3.641  -3.834
  319   2HD1  ILE  44          2HD1      ILE  44 -13.666   3.709  -3.134
  320   3HD1  ILE  44          1HD1      ILE  44 -13.159   2.286  -4.044
  321    H    SER  45           HN       SER  45  -9.828   4.703  -7.379
  322    HA   SER  45           HA       SER  45  -9.970   7.046  -9.131
  323   1HB   SER  45           HB2      SER  45  -8.407   6.862  -7.236
  324   2HB   SER  45           HB1      SER  45  -7.679   5.431  -7.959
  325    HG   SER  45           HG       SER  45  -6.620   7.540  -8.340
  326    H    ARG  46           HN       ARG  46  -9.889   3.703  -9.636
  327    HA   ARG  46           HA       ARG  46  -9.685   2.458 -11.635
  328   1HB   ARG  46           HB2      ARG  46 -10.223   5.159 -12.334
  329   2HB   ARG  46           HB1      ARG  46  -8.961   4.589 -13.429
  330   1HG   ARG  46           HG2      ARG  46 -10.431   3.306 -14.550
  331   2HG   ARG  46           HG1      ARG  46 -10.964   2.537 -13.054
  332   1HD   ARG  46           HD2      ARG  46 -12.849   3.803 -12.975
  333   2HD   ARG  46           HD1      ARG  46 -11.944   5.293 -13.311
  334    HE   ARG  46           HE       ARG  46 -12.572   3.346 -15.497
  335   1HH1  ARG  46          1HH1      ARG  46 -10.949   5.646 -16.291
  336   2HH1  ARG  46          2HH1      ARG  46 -12.124   6.818 -16.786
  337   1HH2  ARG  46          1HH2      ARG  46 -14.766   5.231 -15.203
  338   2HH2  ARG  46          2HH2      ARG  46 -14.282   6.583 -16.171
  339    H    ASN  47           HN       ASN  47  -7.548   2.084 -10.210
  340    HA   ASN  47           HA       ASN  47  -5.239   2.565 -12.057
  341   1HB   ASN  47           HB2      ASN  47  -5.573   3.098  -9.115
  342   2HB   ASN  47           HB1      ASN  47  -3.972   2.726  -9.756
  343   1HD2  ASN  47          1HD2      ASN  47  -3.564   5.096  -9.060
  344   2HD2  ASN  47          2HD2      ASN  47  -3.957   6.313 -10.176
  345    H    THR  48           HN       THR  48  -3.728   0.819 -12.099
  346    HA   THR  48           HA       THR  48  -4.626  -1.651 -10.649
  347    HB   THR  48           HB       THR  48  -3.927  -2.862 -12.647
  348    HG1  THR  48           HG1      THR  48  -3.193  -0.325 -13.674
  349   1HG2  THR  48          2HG2      THR  48  -6.160  -1.547 -12.536
  350   2HG2  THR  48          1HG2      THR  48  -5.398  -0.449 -13.686
  351   3HG2  THR  48          3HG2      THR  48  -5.628  -2.146 -14.107
  352    H    ALA  49           HN       ALA  49  -1.933   0.424 -11.518
  353    HA   ALA  49           HA       ALA  49  -0.196  -1.188  -9.702
  354   1HB   ALA  49           HB1      ALA  49   0.380  -0.325 -12.550
  355   2HB   ALA  49           HB3      ALA  49   1.613  -0.947 -11.452
  356   3HB   ALA  49           HB2      ALA  49   0.268  -1.977 -11.941
  357    H    CYS  50           HN       CYS  50   1.539   0.049  -8.777
  358    HA   CYS  50           HA       CYS  50   0.986   2.736  -8.076
  359   1HB   CYS  50           HB2      CYS  50   2.497   1.155  -6.899
  360   2HB   CYS  50           HB1      CYS  50   3.641   1.268  -8.235
  361    HG   CYS  50           HG       CYS  50   4.412   3.486  -7.407
  362    H    GLN  51           HN       GLN  51   1.208   4.618  -9.234
  363    HA   GLN  51           HA       GLN  51   2.410   4.554 -11.917
  364   1HB   GLN  51           HB2      GLN  51   1.404   6.736 -12.093
  365   2HB   GLN  51           HB1      GLN  51   0.272   5.733 -11.186
  366   1HG   GLN  51           HG2      GLN  51   1.306   6.625  -9.064
  367   2HG   GLN  51           HG1      GLN  51   2.227   7.755 -10.058
  368   1HE2  GLN  51          1HE2      GLN  51  -1.167   6.751  -9.386
  369   2HE2  GLN  51          2HE2      GLN  51  -1.838   8.277  -9.705
  370    H    ILE  52           HN       ILE  52   3.836   4.680  -9.000
  371    HA   ILE  52           HA       ILE  52   5.668   6.952  -9.566
  372    HB   ILE  52           HB       ILE  52   5.455   5.025  -7.229
  373   1HG1  ILE  52          2HG1      ILE  52   4.461   7.882  -7.413
  374   2HG1  ILE  52          1HG1      ILE  52   3.424   6.488  -7.718
  375   1HG2  ILE  52          3HG2      ILE  52   6.889   7.677  -7.563
  376   2HG2  ILE  52          2HG2      ILE  52   6.740   6.796  -6.043
  377   3HG2  ILE  52          1HG2      ILE  52   7.649   6.096  -7.382
  378   1HD1  ILE  52          2HD1      ILE  52   4.923   6.128  -5.262
  379   2HD1  ILE  52          1HD1      ILE  52   4.007   7.634  -5.217
  380   3HD1  ILE  52          3HD1      ILE  52   3.177   6.106  -5.511
  381    H    CYS  53           HN       CYS  53   5.757   3.414  -9.071
  382    HA   CYS  53           HA       CYS  53   8.518   3.411 -10.252
  383   1HB   CYS  53           HB2      CYS  53   8.754   1.298  -8.901
  384   2HB   CYS  53           HB1      CYS  53   8.459   2.731  -7.915
  385    HG   CYS  53           HG       CYS  53   6.728   1.045  -7.060
  386    H    GLY  54           HN       GLY  54   5.259   2.294 -10.563
  387   1HA   GLY  54           HA1      GLY  54   6.013   0.838 -13.023
  388   2HA   GLY  54           HA2      GLY  54   4.376   1.297 -12.557
  389    H    VAL  55           HN       VAL  55   4.558   0.187  -9.853
  390    HA   VAL  55           HA       VAL  55   4.868  -2.736 -10.438
  391    HB   VAL  55           HB       VAL  55   4.682  -1.218  -7.812
  392   1HG1  VAL  55          1HG1      VAL  55   5.230  -4.097  -8.547
  393   2HG1  VAL  55          3HG1      VAL  55   5.755  -3.419  -7.005
  394   3HG1  VAL  55          2HG1      VAL  55   4.039  -3.467  -7.409
  395   1HG2  VAL  55          3HG2      VAL  55   6.719  -0.852  -9.412
  396   2HG2  VAL  55          2HG2      VAL  55   7.028  -1.229  -7.717
  397   3HG2  VAL  55          1HG2      VAL  55   7.168  -2.491  -8.941
  398    H    VAL  56           HN       VAL  56   3.050  -4.060 -10.285
  399    HA   VAL  56           HA       VAL  56   0.426  -2.834 -10.284
  400    HB   VAL  56           HB       VAL  56   1.280  -5.732 -10.023
  401   1HG1  VAL  56          2HG1      VAL  56  -1.274  -4.439 -10.025
  402   2HG1  VAL  56          1HG1      VAL  56  -1.104  -5.326 -11.540
  403   3HG1  VAL  56          3HG1      VAL  56  -0.928  -6.169 -10.001
  404   1HG2  VAL  56          3HG2      VAL  56   1.449  -3.798 -12.210
  405   2HG2  VAL  56          2HG2      VAL  56   2.142  -5.416 -12.093
  406   3HG2  VAL  56          1HG2      VAL  56   0.480  -5.207 -12.644
  407    H    TYR  57           HN       TYR  57  -1.229  -3.061  -8.686
  408    HA   TYR  57           HA       TYR  57  -0.331  -3.005  -5.938
  409   1HB   TYR  57           HB2      TYR  57  -3.089  -3.183  -7.181
  410   2HB   TYR  57           HB1      TYR  57  -2.746  -2.706  -5.515
  411    HD1  TYR  57           HD1      TYR  57  -0.489  -0.994  -5.610
  412    HD2  TYR  57           HD2      TYR  57  -3.696  -1.315  -8.445
  413    HE1  TYR  57           HE1      TYR  57  -0.051   1.320  -6.359
  414    HE2  TYR  57           HE2      TYR  57  -3.264   1.006  -9.197
  415    HH   TYR  57           HH       TYR  57  -2.234   3.042  -8.379
  416    H    ASN  58           HN       ASN  58  -1.935  -5.419  -7.970
  417    HA   ASN  58           HA       ASN  58  -2.474  -7.688  -7.541
  418   1HB   ASN  58           HB2      ASN  58  -0.028  -7.248  -5.796
  419   2HB   ASN  58           HB1      ASN  58  -0.631  -8.824  -6.311
  420   1HD2  ASN  58          1HD2      ASN  58  -0.305  -9.448  -8.544
  421   2HD2  ASN  58          2HD2      ASN  58   0.683  -8.554  -9.595
  422    H    THR  59           HN       THR  59  -4.425  -6.703  -6.292
  423    HA   THR  59           HA       THR  59  -4.200  -7.061  -3.339
  424    HB   THR  59           HB       THR  59  -6.319  -5.838  -3.330
  425    HG1  THR  59           HG1      THR  59  -6.811  -5.150  -5.710
  426   1HG2  THR  59          1HG2      THR  59  -4.104  -4.633  -3.725
  427   2HG2  THR  59          3HG2      THR  59  -4.560  -4.559  -5.428
  428   3HG2  THR  59          2HG2      THR  59  -5.556  -3.757  -4.213
  429    H    ARG  60           HN       ARG  60  -5.548  -8.571  -2.245
  430    HA   ARG  60           HA       ARG  60  -6.195 -11.006  -3.606
  431   1HB   ARG  60           HB2      ARG  60  -6.365  -9.799  -0.941
  432   2HB   ARG  60           HB1      ARG  60  -7.687 -10.925  -1.256
  433   1HG   ARG  60           HG2      ARG  60  -4.747 -11.547  -1.665
  434   2HG   ARG  60           HG1      ARG  60  -5.705 -12.065  -0.278
  435   1HD   ARG  60           HD2      ARG  60  -7.316 -13.014  -2.183
  436   2HD   ARG  60           HD1      ARG  60  -5.801 -13.035  -3.108
  437    HE   ARG  60           HE       ARG  60  -5.156 -14.093  -0.595
  438   1HH1  ARG  60          1HH1      ARG  60  -7.250 -15.662  -0.001
  439   2HH1  ARG  60          2HH1      ARG  60  -7.279 -16.985  -1.118
  440   1HH2  ARG  60          1HH2      ARG  60  -5.208 -15.428  -3.423
  441   2HH2  ARG  60          2HH2      ARG  60  -6.122 -16.853  -3.057

  No H/Q in entry =         441
  Start of MODEL    2
    1    H1   MET   1           HT3      MET   1  -8.426  13.149  17.686
    2    H2   MET   1           HT2      MET   1  -6.936  13.261  16.878
    3    H3   MET   1           HT1      MET   1  -8.332  12.797  16.030
    4    HA   MET   1           HA       MET   1  -6.908  10.873  16.508
    5   1HB   MET   1           HB2      MET   1  -6.365  12.302  18.743
    6   2HB   MET   1           HB1      MET   1  -7.544  11.165  19.398
    7   1HG   MET   1           HG2      MET   1  -6.238   9.276  18.707
    8   2HG   MET   1           HG1      MET   1  -5.172  10.290  17.736
    9   1HE   MET   1           HE1      MET   1  -3.089  10.182  18.320
   10   2HE   MET   1           HE3      MET   1  -3.200  11.878  18.809
   11   3HE   MET   1           HE2      MET   1  -2.320  10.724  19.809
   12    H    GLU   2           HN       GLU   2  -9.943  12.174  17.204
   13    HA   GLU   2           HA       GLU   2 -12.055  11.205  17.731
   14   1HB   GLU   2           HB2      GLU   2 -12.638   9.721  15.918
   15   2HB   GLU   2           HB1      GLU   2 -11.475  10.886  15.291
   16   1HG   GLU   2           HG2      GLU   2 -10.376   8.356  16.429
   17   2HG   GLU   2           HG1      GLU   2 -11.211   8.246  14.882
   18    H    ASP   3           HN       ASP   3 -12.513   8.273  17.246
   19    HA   ASP   3           HA       ASP   3 -11.712   7.354  19.952
   20   1HB   ASP   3           HB2      ASP   3 -13.617   6.292  17.843
   21   2HB   ASP   3           HB1      ASP   3 -13.426   5.604  19.455
   22    H    GLU   4           HN       GLU   4 -12.124   5.511  16.937
   23    HA   GLU   4           HA       GLU   4  -9.451   4.247  17.458
   24   1HB   GLU   4           HB2      GLU   4 -11.941   3.091  16.162
   25   2HB   GLU   4           HB1      GLU   4 -10.465   2.208  16.556
   26   1HG   GLU   4           HG2      GLU   4 -11.375   1.764  18.569
   27   2HG   GLU   4           HG1      GLU   4 -11.197   3.479  18.945
   28    H    ASP   5           HN       ASP   5  -8.067   4.012  15.671
   29    HA   ASP   5           HA       ASP   5  -9.039   5.177  13.080
   30   1HB   ASP   5           HB2      ASP   5  -6.722   6.041  12.856
   31   2HB   ASP   5           HB1      ASP   5  -7.494   6.640  14.325
   32    H    VAL   6           HN       VAL   6  -9.217   3.467  11.673
   33    HA   VAL   6           HA       VAL   6  -6.945   1.514  11.576
   34    HB   VAL   6           HB       VAL   6  -9.890   0.884  11.224
   35   1HG1  VAL   6          3HG1      VAL   6  -7.331  -0.656  11.228
   36   2HG1  VAL   6          2HG1      VAL   6  -8.747  -1.424  11.947
   37   3HG1  VAL   6          1HG1      VAL   6  -8.786  -0.901  10.263
   38   1HG2  VAL   6          2HG2      VAL   6  -8.185   1.136  13.651
   39   2HG2  VAL   6          1HG2      VAL   6  -9.930   1.333  13.477
   40   3HG2  VAL   6          3HG2      VAL   6  -9.229  -0.283  13.573
   41    HA   PRO   7           HA       PRO   7  -7.287   3.085   7.373
   42   1HB   PRO   7           HB2      PRO   7  -4.896   2.048   6.536
   43   2HB   PRO   7           HB1      PRO   7  -5.027   3.555   7.466
   44   1HG   PRO   7           HG2      PRO   7  -4.312   0.819   8.387
   45   2HG   PRO   7           HG1      PRO   7  -3.641   2.385   8.871
   46   1HD   PRO   7           HD2      PRO   7  -5.445   1.004  10.375
   47   2HD   PRO   7           HD1      PRO   7  -5.305   2.775  10.399
   48    H    VAL   8           HN       VAL   8  -7.365   1.990   5.243
   49    HA   VAL   8           HA       VAL   8  -7.777  -0.972   5.428
   50    HB   VAL   8           HB       VAL   8  -9.481   0.993   3.870
   51   1HG1  VAL   8          3HG1      VAL   8  -9.245  -1.694   3.559
   52   2HG1  VAL   8          2HG1      VAL   8 -10.499  -1.633   4.798
   53   3HG1  VAL   8          1HG1      VAL   8 -10.741  -0.810   3.257
   54   1HG2  VAL   8          1HG2      VAL   8  -9.448   1.137   6.514
   55   2HG2  VAL   8          3HG2      VAL   8 -10.982   1.150   5.647
   56   3HG2  VAL   8          2HG2      VAL   8 -10.406  -0.337   6.397
   57    H    CYS   9           HN       CYS   9  -7.224  -2.122   3.506
   58    HA   CYS   9           HA       CYS   9  -5.225  -0.898   1.812
   59   1HB   CYS   9           HB2      CYS   9  -5.114  -3.243   2.339
   60   2HB   CYS   9           HB1      CYS   9  -6.762  -3.509   1.772
   61    H    TRP  10           HN       TRP  10  -5.717   0.479   0.192
   62    HA   TRP  10           HA       TRP  10  -8.345   0.957  -0.832
   63   1HB   TRP  10           HB2      TRP  10  -7.084   2.393  -2.405
   64   2HB   TRP  10           HB1      TRP  10  -6.461   2.556  -0.761
   65    HD1  TRP  10           HD1      TRP  10  -4.095   1.474  -0.209
   66    HE1  TRP  10           HE1      TRP  10  -2.165   0.684  -1.729
   67    HE3  TRP  10           HE3      TRP  10  -6.507   1.333  -4.714
   68    HZ2  TRP  10           HZ2      TRP  10  -1.705   0.075  -4.484
   69    HZ3  TRP  10           HZ3      TRP  10  -5.300   0.645  -6.765
   70    HH2  TRP  10           HH2      TRP  10  -2.903   0.017  -6.657
   71    H    ILE  11           HN       ILE  11  -5.970  -1.440  -1.716
   72    HA   ILE  11           HA       ILE  11  -6.784  -1.758  -4.486
   73    HB   ILE  11           HB       ILE  11  -5.365  -3.614  -2.548
   74   1HG1  ILE  11          2HG1      ILE  11  -4.385  -1.476  -4.462
   75   2HG1  ILE  11          1HG1      ILE  11  -4.183  -1.511  -2.710
   76   1HG2  ILE  11          3HG2      ILE  11  -5.572  -3.575  -5.574
   77   2HG2  ILE  11          2HG2      ILE  11  -4.389  -4.536  -4.686
   78   3HG2  ILE  11          1HG2      ILE  11  -6.112  -4.854  -4.486
   79   1HD1  ILE  11          2HD1      ILE  11  -3.016  -3.834  -3.217
   80   2HD1  ILE  11          1HD1      ILE  11  -2.782  -3.120  -4.813
   81   3HD1  ILE  11          3HD1      ILE  11  -2.117  -2.325  -3.386
   82    H    CYS  12           HN       CYS  12  -7.306  -3.901  -1.644
   83    HA   CYS  12           HA       CYS  12  -9.635  -5.082  -3.096
   84   1HB   CYS  12           HB2      CYS  12  -9.297  -6.933  -1.478
   85   2HB   CYS  12           HB1      CYS  12  -7.814  -6.567  -2.356
   86    H    ASN  13           HN       ASN  13  -9.039  -2.722  -0.829
   87    HA   ASN  13           HA       ASN  13 -10.485  -1.585   0.657
   88   1HB   ASN  13           HB2      ASN  13 -12.048  -2.898  -1.319
   89   2HB   ASN  13           HB1      ASN  13 -12.868  -3.143   0.224
   90   1HD2  ASN  13          1HD2      ASN  13 -13.820  -1.372  -1.922
   91   2HD2  ASN  13          2HD2      ASN  13 -13.830   0.203  -1.290
   92    H    GLU  14           HN       GLU  14  -8.926  -3.370   1.946
   93    HA   GLU  14           HA       GLU  14 -10.813  -4.711   3.852
   94   1HB   GLU  14           HB2      GLU  14  -9.819  -6.390   2.402
   95   2HB   GLU  14           HB1      GLU  14  -8.208  -5.719   2.665
   96   1HG   GLU  14           HG2      GLU  14  -8.532  -6.197   5.137
   97   2HG   GLU  14           HG1      GLU  14  -9.977  -7.105   4.691
   98    H    GLU  15           HN       GLU  15 -10.442  -4.056   5.940
   99    HA   GLU  15           HA       GLU  15  -8.558  -2.064   6.659
  100   1HB   GLU  15           HB2      GLU  15 -10.480  -3.891   7.918
  101   2HB   GLU  15           HB1      GLU  15  -9.130  -3.483   8.977
  102   1HG   GLU  15           HG2      GLU  15 -10.411  -1.651   9.449
  103   2HG   GLU  15           HG1      GLU  15  -9.691  -1.029   7.964
  104    H    LEU  16           HN       LEU  16  -6.548  -2.143   7.617
  105    HA   LEU  16           HA       LEU  16  -5.282  -4.828   7.953
  106   1HB   LEU  16           HB2      LEU  16  -3.374  -4.107   6.665
  107   2HB   LEU  16           HB1      LEU  16  -4.815  -3.769   5.714
  108    HG   LEU  16           HG       LEU  16  -3.461  -1.704   7.465
  109   1HD1  LEU  16          3HD1      LEU  16  -2.274  -2.793   5.302
  110   2HD1  LEU  16          2HD1      LEU  16  -3.291  -1.594   4.503
  111   3HD1  LEU  16          1HD1      LEU  16  -2.113  -1.086   5.714
  112   1HD2  LEU  16          3HD2      LEU  16  -5.903  -1.797   5.897
  113   2HD2  LEU  16          2HD2      LEU  16  -5.322  -0.529   6.977
  114   3HD2  LEU  16          1HD2      LEU  16  -4.816  -0.549   5.290
  115    H    GLY  17           HN       GLY  17  -5.596  -1.515   8.980
  116   1HA   GLY  17           HA1      GLY  17  -4.264  -2.157  11.504
  117   2HA   GLY  17           HA2      GLY  17  -5.141  -0.676  11.142
  118    H    ASN  18           HN       ASN  18  -2.562  -1.930   9.095
  119    HA   ASN  18           HA       ASN  18  -1.084   0.214   8.459
  120   1HB   ASN  18           HB2      ASN  18  -1.018   1.161  10.645
  121   2HB   ASN  18           HB1      ASN  18  -0.628  -0.389  11.393
  122   1HD2  ASN  18          1HD2      ASN  18   1.546  -0.579  11.940
  123   2HD2  ASN  18          2HD2      ASN  18   2.824   0.220  11.158
  124    H    GLU  19           HN       GLU  19  -0.812  -1.865   7.111
  125    HA   GLU  19           HA       GLU  19   0.981  -3.938   8.050
  126   1HB   GLU  19           HB2      GLU  19  -0.786  -3.750   6.067
  127   2HB   GLU  19           HB1      GLU  19   0.633  -3.227   5.158
  128   1HG   GLU  19           HG2      GLU  19   0.598  -5.577   4.868
  129   2HG   GLU  19           HG1      GLU  19   1.799  -5.313   6.132
  130    H    ARG  20           HN       ARG  20   3.166  -3.663   8.345
  131    HA   ARG  20           HA       ARG  20   4.593  -1.292   7.636
  132   1HB   ARG  20           HB2      ARG  20   4.985  -3.615   9.113
  133   2HB   ARG  20           HB1      ARG  20   6.176  -3.759   7.819
  134   1HG   ARG  20           HG2      ARG  20   7.470  -2.408   9.094
  135   2HG   ARG  20           HG1      ARG  20   6.408  -1.107   8.552
  136   1HD   ARG  20           HD2      ARG  20   6.120  -0.821  10.826
  137   2HD   ARG  20           HD1      ARG  20   4.918  -2.108  10.599
  138    HE   ARG  20           HE       ARG  20   6.741  -3.739  11.183
  139   1HH1  ARG  20          1HH1      ARG  20   6.154  -1.178  13.115
  140   2HH1  ARG  20          2HH1      ARG  20   7.718  -1.093  13.854
  141   1HH2  ARG  20          1HH2      ARG  20   9.182  -3.311  11.629
  142   2HH2  ARG  20          2HH2      ARG  20   9.432  -2.300  13.013
  143    H    PHE  21           HN       PHE  21   4.354  -0.816   5.404
  144    HA   PHE  21           HA       PHE  21   5.934  -2.549   3.579
  145   1HB   PHE  21           HB2      PHE  21   3.650  -3.386   3.506
  146   2HB   PHE  21           HB1      PHE  21   3.024  -1.756   3.278
  147    HD1  PHE  21           HD1      PHE  21   6.152  -2.436   1.596
  148    HD2  PHE  21           HD2      PHE  21   1.884  -2.738   1.249
  149    HE1  PHE  21           HE1      PHE  21   6.369  -2.696  -0.862
  150    HE2  PHE  21           HE2      PHE  21   2.098  -2.999  -1.199
  151    HZ   PHE  21           HZ       PHE  21   4.339  -2.977  -2.264
  152    H    ARG  22           HN       ARG  22   7.363  -1.079   2.711
  153    HA   ARG  22           HA       ARG  22   6.649   1.766   2.443
  154   1HB   ARG  22           HB2      ARG  22   9.057   0.003   2.065
  155   2HB   ARG  22           HB1      ARG  22   9.069   1.635   1.394
  156   1HG   ARG  22           HG2      ARG  22   8.373   1.041   4.281
  157   2HG   ARG  22           HG1      ARG  22  10.005   1.442   3.744
  158   1HD   ARG  22           HD2      ARG  22   8.969   3.544   2.674
  159   2HD   ARG  22           HD1      ARG  22   7.534   3.187   3.657
  160    HE   ARG  22           HE       ARG  22   8.774   4.071   5.456
  161   1HH1  ARG  22          1HH1      ARG  22  10.375   2.288   6.575
  162   2HH1  ARG  22          2HH1      ARG  22  12.001   2.564   6.047
  163   1HH2  ARG  22          1HH2      ARG  22  11.070   4.496   3.321
  164   2HH2  ARG  22          2HH2      ARG  22  12.395   3.815   4.206
  165    H    ALA  23           HN       ALA  23   5.004   1.750   0.779
  166    HA   ALA  23           HA       ALA  23   6.058   1.045  -1.940
  167   1HB   ALA  23           HB2      ALA  23   4.488  -0.590  -1.859
  168   2HB   ALA  23           HB1      ALA  23   3.729   0.109  -0.428
  169   3HB   ALA  23           HB3      ALA  23   3.304   0.706  -2.032
  170    H    CYS  24           HN       CYS  24   4.103   3.206   0.046
  171    HA   CYS  24           HA       CYS  24   4.391   5.367  -1.871
  172   1HB   CYS  24           HB2      CYS  24   2.734   4.419  -3.173
  173   2HB   CYS  24           HB1      CYS  24   1.971   3.616  -1.808
  174    H    GLY  25           HN       GLY  25   3.113   7.313  -1.124
  175   1HA   GLY  25           HA1      GLY  25   3.419   8.590   1.032
  176   2HA   GLY  25           HA2      GLY  25   2.662   7.212   1.833
  177    H    CYS  26           HN       CYS  26   1.794   8.915  -1.186
  178    HA   CYS  26           HA       CYS  26  -0.142  10.228  -1.663
  179   1HB   CYS  26           HB2      CYS  26  -0.708   7.467  -0.803
  180   2HB   CYS  26           HB1      CYS  26  -2.118   8.523  -0.813
  181    H    THR  27           HN       THR  27  -2.660  10.216  -0.323
  182    HA   THR  27           HA       THR  27  -1.962  11.876   2.040
  183    HB   THR  27           HB       THR  27  -4.722  11.948   1.567
  184    HG1  THR  27           HG1      THR  27  -4.978  11.379  -0.416
  185   1HG2  THR  27          2HG2      THR  27  -2.378  13.654   0.770
  186   2HG2  THR  27          1HG2      THR  27  -4.013  14.106   0.288
  187   3HG2  THR  27          3HG2      THR  27  -3.605  13.961   1.998
  188    H    GLY  28           HN       GLY  28  -3.197   8.723   1.319
  189   1HA   GLY  28           HA1      GLY  28  -4.788   8.460   3.748
  190   2HA   GLY  28           HA2      GLY  28  -3.190   7.737   3.904
  191    H    GLU  29           HN       GLU  29  -5.729   7.810   1.362
  192    HA   GLU  29           HA       GLU  29  -6.591   5.177   1.482
  193   1HB   GLU  29           HB2      GLU  29  -7.346   5.525  -0.751
  194   2HB   GLU  29           HB1      GLU  29  -7.293   7.131  -0.026
  195   1HG   GLU  29           HG2      GLU  29  -5.038   7.475  -1.029
  196   2HG   GLU  29           HG1      GLU  29  -5.178   5.903  -1.819
  197    H    LEU  30           HN       LEU  30  -3.734   6.330  -0.369
  198    HA   LEU  30           HA       LEU  30  -2.990   3.541  -0.992
  199   1HB   LEU  30           HB2      LEU  30  -2.827   5.852  -2.357
  200   2HB   LEU  30           HB1      LEU  30  -1.256   5.904  -1.566
  201    HG   LEU  30           HG       LEU  30  -1.030   4.817  -3.733
  202   1HD1  LEU  30          2HD1      LEU  30  -0.080   3.841  -1.382
  203   2HD1  LEU  30          1HD1      LEU  30  -0.913   2.420  -2.011
  204   3HD1  LEU  30          3HD1      LEU  30   0.356   3.191  -2.961
  205   1HD2  LEU  30          2HD2      LEU  30  -3.196   2.976  -2.686
  206   2HD2  LEU  30          1HD2      LEU  30  -3.278   4.019  -4.103
  207   3HD2  LEU  30          3HD2      LEU  30  -2.212   2.615  -4.100
  208    H    GLU  31           HN       GLU  31  -2.157   6.090   1.258
  209    HA   GLU  31           HA       GLU  31   0.431   5.443   2.090
  210   1HB   GLU  31           HB2      GLU  31  -1.801   6.903   2.999
  211   2HB   GLU  31           HB1      GLU  31  -1.369   5.841   4.340
  212   1HG   GLU  31           HG2      GLU  31   0.962   7.066   3.050
  213   2HG   GLU  31           HG1      GLU  31  -0.143   8.252   3.751
  214    H    ASN  32           HN       ASN  32  -2.617   3.961   3.284
  215    HA   ASN  32           HA       ASN  32  -1.018   1.751   4.489
  216   1HB   ASN  32           HB2      ASN  32  -3.993   2.313   4.642
  217   2HB   ASN  32           HB1      ASN  32  -3.025   1.345   5.752
  218   1HD2  ASN  32          1HD2      ASN  32  -4.067   4.585   4.992
  219   2HD2  ASN  32          2HD2      ASN  32  -3.220   5.368   6.238
  220    H    VAL  33           HN       VAL  33  -0.788  -0.068   3.238
  221    HA   VAL  33           HA       VAL  33  -3.094  -0.973   1.602
  222    HB   VAL  33           HB       VAL  33  -1.903   0.439   0.084
  223   1HG1  VAL  33          2HG1      VAL  33   0.174   0.505   1.539
  224   2HG1  VAL  33          1HG1      VAL  33   0.641  -1.029   0.806
  225   3HG1  VAL  33          3HG1      VAL  33   0.479   0.414  -0.195
  226   1HG2  VAL  33          1HG2      VAL  33  -2.452  -2.031  -0.556
  227   2HG2  VAL  33          3HG2      VAL  33  -1.416  -1.088  -1.629
  228   3HG2  VAL  33          2HG2      VAL  33  -0.703  -2.253  -0.512
  229    H    HIS  34           HN       HIS  34  -3.239  -3.178   1.630
  230    HA   HIS  34           HA       HIS  34  -1.636  -4.834   3.281
  231   1HB   HIS  34           HB2      HIS  34  -3.589  -5.139   1.044
  232   2HB   HIS  34           HB1      HIS  34  -2.730  -6.581   1.590
  233    HD2  HIS  34           HD2      HIS  34  -2.811  -6.143   4.831
  234    HE1  HIS  34           HE1      HIS  34  -6.969  -5.518   4.361
  235    HE2  HIS  34           HE2      HIS  34  -5.124  -6.035   5.995
  236    H    ARG  35           HN       ARG  35   0.544  -5.177   2.937
  237    HA   ARG  35           HA       ARG  35   1.946  -4.837   0.490
  238   1HB   ARG  35           HB2      ARG  35   2.593  -5.180   3.067
  239   2HB   ARG  35           HB1      ARG  35   2.857  -6.835   2.518
  240   1HG   ARG  35           HG2      ARG  35   3.974  -4.885   0.658
  241   2HG   ARG  35           HG1      ARG  35   4.659  -4.721   2.276
  242   1HD   ARG  35           HD2      ARG  35   4.420  -7.411   0.899
  243   2HD   ARG  35           HD1      ARG  35   5.862  -6.386   0.751
  244    HE   ARG  35           HE       ARG  35   4.884  -6.882   3.499
  245   1HH1  ARG  35          1HH1      ARG  35   7.679  -5.977   2.620
  246   2HH1  ARG  35          2HH1      ARG  35   8.595  -7.417   2.914
  247   1HH2  ARG  35          1HH2      ARG  35   5.804  -9.458   3.175
  248   2HH2  ARG  35          2HH2      ARG  35   7.534  -9.388   3.227
  249    H    SER  36           HN       SER  36  -0.135  -7.392   1.481
  250    HA   SER  36           HA       SER  36   1.111  -9.510  -0.095
  251   1HB   SER  36           HB2      SER  36  -1.410 -10.349   0.401
  252   2HB   SER  36           HB1      SER  36  -0.136 -10.390   1.615
  253    HG   SER  36           HG       SER  36  -2.408  -8.969   1.587
  254    H    CYS  37           HN       CYS  37  -1.910  -7.608  -0.499
  255    HA   CYS  37           HA       CYS  37  -2.246  -8.672  -3.216
  256   1HB   CYS  37           HB2      CYS  37  -4.083  -6.665  -3.077
  257   2HB   CYS  37           HB1      CYS  37  -4.367  -8.292  -2.495
  258    HG   CYS  37           HG       CYS  37  -4.990  -6.670  -0.563
  259    H    LEU  38           HN       LEU  38  -0.836  -5.762  -1.840
  260    HA   LEU  38           HA       LEU  38  -0.984  -4.233  -4.318
  261   1HB   LEU  38           HB2      LEU  38  -0.805  -3.042  -2.267
  262   2HB   LEU  38           HB1      LEU  38   0.560  -4.017  -1.729
  263    HG   LEU  38           HG       LEU  38   2.046  -2.990  -3.266
  264   1HD1  LEU  38          2HD1      LEU  38  -0.486  -2.226  -4.676
  265   2HD1  LEU  38          1HD1      LEU  38   0.948  -1.222  -4.901
  266   3HD1  LEU  38          3HD1      LEU  38   0.992  -2.931  -5.333
  267   1HD2  LEU  38          3HD2      LEU  38   0.802  -1.499  -1.369
  268   2HD2  LEU  38          2HD2      LEU  38   2.108  -0.880  -2.382
  269   3HD2  LEU  38          1HD2      LEU  38   0.428  -0.544  -2.805
  270    H    SER  39           HN       SER  39   1.843  -5.674  -2.619
  271    HA   SER  39           HA       SER  39   3.730  -5.345  -4.673
  272   1HB   SER  39           HB2      SER  39   3.911  -6.207  -2.232
  273   2HB   SER  39           HB1      SER  39   3.560  -7.794  -2.912
  274    HG   SER  39           HG       SER  39   5.633  -7.807  -3.286
  275    H    THR  40           HN       THR  40   1.222  -7.818  -4.301
  276    HA   THR  40           HA       THR  40   2.226  -9.376  -6.593
  277    HB   THR  40           HB       THR  40   1.155 -10.344  -4.531
  278    HG1  THR  40           HG1      THR  40   0.866 -11.823  -5.986
  279   1HG2  THR  40          2HG2      THR  40  -0.532  -8.535  -4.260
  280   2HG2  THR  40          1HG2      THR  40  -1.362  -9.126  -5.699
  281   3HG2  THR  40          3HG2      THR  40  -1.261 -10.140  -4.260
  282    H    TRP  41           HN       TRP  41  -0.232  -6.934  -5.923
  283    HA   TRP  41           HA       TRP  41  -1.798  -7.288  -8.311
  284   1HB   TRP  41           HB2      TRP  41  -2.744  -6.031  -6.550
  285   2HB   TRP  41           HB1      TRP  41  -1.274  -5.085  -6.318
  286    HD1  TRP  41           HD1      TRP  41  -4.032  -5.575  -8.987
  287    HE1  TRP  41           HE1      TRP  41  -4.373  -3.329 -10.206
  288    HE3  TRP  41           HE3      TRP  41  -0.381  -2.794  -6.753
  289    HZ2  TRP  41           HZ2      TRP  41  -3.247  -0.700 -10.230
  290    HZ3  TRP  41           HZ3      TRP  41  -0.036  -0.423  -7.389
  291    HH2  TRP  41           HH2      TRP  41  -1.464   0.627  -9.124
  292    H    LEU  42           HN       LEU  42   0.678  -4.797  -7.548
  293    HA   LEU  42           HA       LEU  42   0.919  -3.650 -10.095
  294   1HB   LEU  42           HB2      LEU  42   3.341  -3.250  -9.324
  295   2HB   LEU  42           HB1      LEU  42   2.071  -2.684  -8.244
  296    HG   LEU  42           HG       LEU  42   2.406  -5.213  -7.298
  297   1HD1  LEU  42          2HD1      LEU  42   4.332  -5.415  -9.004
  298   2HD1  LEU  42          1HD1      LEU  42   5.208  -4.318  -7.936
  299   3HD1  LEU  42          3HD1      LEU  42   4.663  -5.884  -7.336
  300   1HD2  LEU  42          1HD2      LEU  42   3.038  -2.545  -6.528
  301   2HD2  LEU  42          3HD2      LEU  42   2.796  -3.943  -5.480
  302   3HD2  LEU  42          2HD2      LEU  42   4.408  -3.562  -6.083
  303    H    THR  43           HN       THR  43   2.143  -6.746  -8.932
  304    HA   THR  43           HA       THR  43   3.984  -7.280 -11.080
  305    HB   THR  43           HB       THR  43   2.311  -9.315  -9.591
  306    HG1  THR  43           HG1      THR  43   4.315  -8.993  -8.128
  307   1HG2  THR  43          2HG2      THR  43   3.929 -10.069 -11.334
  308   2HG2  THR  43          1HG2      THR  43   5.223  -9.284 -10.429
  309   3HG2  THR  43          3HG2      THR  43   4.350 -10.643  -9.720
  310    H    ILE  44           HN       ILE  44   0.522  -8.035 -10.615
  311    HA   ILE  44           HA       ILE  44   0.262  -9.277 -13.255
  312    HB   ILE  44           HB       ILE  44  -1.605  -8.409 -11.036
  313   1HG1  ILE  44          2HG1      ILE  44  -1.772 -11.167 -11.752
  314   2HG1  ILE  44          1HG1      ILE  44  -0.062 -10.750 -11.630
  315   1HG2  ILE  44          2HG2      ILE  44  -2.669  -8.176 -13.325
  316   2HG2  ILE  44          1HG2      ILE  44  -2.394  -9.904 -13.551
  317   3HG2  ILE  44          3HG2      ILE  44  -3.458  -9.341 -12.262
  318   1HD1  ILE  44          2HD1      ILE  44  -1.698  -9.592  -9.483
  319   2HD1  ILE  44          1HD1      ILE  44  -1.701 -11.356  -9.493
  320   3HD1  ILE  44          3HD1      ILE  44  -0.176 -10.477  -9.384
  321    H    SER  45           HN       SER  45  -0.449  -6.132 -11.766
  322    HA   SER  45           HA       SER  45  -1.737  -5.061 -14.169
  323   1HB   SER  45           HB2      SER  45  -2.313  -4.369 -11.867
  324   2HB   SER  45           HB1      SER  45  -0.670  -3.783 -11.628
  325    HG   SER  45           HG       SER  45  -2.786  -2.648 -12.947
  326    H    ARG  46           HN       ARG  46   1.473  -5.612 -13.205
  327    HA   ARG  46           HA       ARG  46   3.513  -5.022 -14.253
  328   1HB   ARG  46           HB2      ARG  46   1.728  -5.166 -16.209
  329   2HB   ARG  46           HB1      ARG  46   1.946  -3.416 -16.247
  330   1HG   ARG  46           HG2      ARG  46   3.721  -3.857 -17.586
  331   2HG   ARG  46           HG1      ARG  46   4.543  -4.311 -16.092
  332   1HD   ARG  46           HD2      ARG  46   4.511  -6.531 -16.622
  333   2HD   ARG  46           HD1      ARG  46   2.851  -6.447 -17.244
  334    HE   ARG  46           HE       ARG  46   4.245  -5.013 -19.117
  335   1HH1  ARG  46          1HH1      ARG  46   4.129  -8.224 -17.941
  336   2HH1  ARG  46          2HH1      ARG  46   5.161  -8.867 -19.175
  337   1HH2  ARG  46          1HH2      ARG  46   5.837  -5.776 -20.592
  338   2HH2  ARG  46          2HH2      ARG  46   6.127  -7.481 -20.674
  339    H    ASN  47           HN       ASN  47   2.969  -3.514 -12.071
  340    HA   ASN  47           HA       ASN  47   3.524  -0.697 -12.952
  341   1HB   ASN  47           HB2      ASN  47   2.001  -1.791 -10.563
  342   2HB   ASN  47           HB1      ASN  47   2.355  -0.082 -10.816
  343   1HD2  ASN  47          1HD2      ASN  47  -0.310  -1.590 -10.843
  344   2HD2  ASN  47          2HD2      ASN  47  -1.010  -1.181 -12.334
  345    H    THR  48           HN       THR  48   4.924   0.509 -11.413
  346    HA   THR  48           HA       THR  48   6.664  -1.292  -9.763
  347    HB   THR  48           HB       THR  48   8.562   0.102 -10.618
  348    HG1  THR  48           HG1      THR  48   7.685   1.184 -12.719
  349   1HG2  THR  48          1HG2      THR  48   6.873  -1.709 -12.185
  350   2HG2  THR  48          3HG2      THR  48   7.889  -0.667 -13.182
  351   3HG2  THR  48          2HG2      THR  48   8.623  -1.711 -11.966
  352    H    ALA  49           HN       ALA  49   5.179   1.883 -10.182
  353    HA   ALA  49           HA       ALA  49   5.704   2.437  -7.310
  354   1HB   ALA  49           HB2      ALA  49   7.580   3.358  -8.677
  355   2HB   ALA  49           HB3      ALA  49   6.667   4.622  -7.855
  356   3HB   ALA  49           HB1      ALA  49   6.412   4.327  -9.574
  357    H    CYS  50           HN       CYS  50   4.165   3.814  -6.384
  358    HA   CYS  50           HA       CYS  50   1.541   3.887  -7.410
  359   1HB   CYS  50           HB2      CYS  50   2.351   4.306  -5.053
  360   2HB   CYS  50           HB1      CYS  50   2.861   5.910  -5.575
  361    HG   CYS  50           HG       CYS  50   0.409   6.577  -5.948
  362    H    GLN  51           HN       GLN  51   0.760   4.979  -9.163
  363    HA   GLN  51           HA       GLN  51   2.282   7.153 -10.406
  364   1HB   GLN  51           HB2      GLN  51   0.496   6.981 -12.083
  365   2HB   GLN  51           HB1      GLN  51   1.045   5.366 -11.632
  366   1HG   GLN  51           HG2      GLN  51  -0.847   5.052 -10.168
  367   2HG   GLN  51           HG1      GLN  51  -1.342   6.734 -10.364
  368   1HE2  GLN  51          1HE2      GLN  51  -0.408   4.138 -12.703
  369   2HE2  GLN  51          2HE2      GLN  51  -1.784   4.326 -13.679
  370    H    ILE  52           HN       ILE  52   0.396   7.138  -7.728
  371    HA   ILE  52           HA       ILE  52  -1.225   9.536  -8.327
  372    HB   ILE  52           HB       ILE  52  -0.793   7.992  -5.745
  373   1HG1  ILE  52          2HG1      ILE  52  -1.566   6.505  -7.551
  374   2HG1  ILE  52          1HG1      ILE  52  -2.865   6.787  -6.391
  375   1HG2  ILE  52          2HG2      ILE  52  -2.723  10.096  -6.689
  376   2HG2  ILE  52          1HG2      ILE  52  -3.254   8.903  -5.503
  377   3HG2  ILE  52          3HG2      ILE  52  -1.892   9.963  -5.139
  378   1HD1  ILE  52          3HD1      ILE  52  -3.010   8.870  -8.319
  379   2HD1  ILE  52          2HD1      ILE  52  -2.832   7.356  -9.207
  380   3HD1  ILE  52          1HD1      ILE  52  -4.159   7.556  -8.062
  381    H    CYS  53           HN       CYS  53   1.407   8.640  -6.056
  382    HA   CYS  53           HA       CYS  53   2.000  11.566  -5.754
  383   1HB   CYS  53           HB2      CYS  53   3.064  10.794  -3.611
  384   2HB   CYS  53           HB1      CYS  53   1.339  10.434  -3.697
  385    HG   CYS  53           HG       CYS  53   3.171   8.154  -4.659
  386    H    GLY  54           HN       GLY  54   3.187   8.550  -6.937
  387   1HA   GLY  54           HA1      GLY  54   5.714   9.863  -7.728
  388   2HA   GLY  54           HA2      GLY  54   5.103   8.337  -8.361
  389    H    VAL  55           HN       VAL  55   4.740   6.801  -6.118
  390    HA   VAL  55           HA       VAL  55   7.476   6.758  -4.875
  391    HB   VAL  55           HB       VAL  55   4.805   5.872  -3.737
  392   1HG1  VAL  55          2HG1      VAL  55   7.644   5.813  -2.736
  393   2HG1  VAL  55          1HG1      VAL  55   6.303   5.929  -1.597
  394   3HG1  VAL  55          3HG1      VAL  55   6.425   4.540  -2.677
  395   1HG2  VAL  55          3HG2      VAL  55   5.444   8.423  -4.071
  396   2HG2  VAL  55          2HG2      VAL  55   4.717   7.879  -2.559
  397   3HG2  VAL  55          1HG2      VAL  55   6.460   8.130  -2.659
  398    H    VAL  56           HN       VAL  56   8.504   4.708  -4.843
  399    HA   VAL  56           HA       VAL  56   7.416   2.723  -6.716
  400    HB   VAL  56           HB       VAL  56   9.899   2.475  -5.023
  401   1HG1  VAL  56          1HG1      VAL  56   9.113   0.609  -6.515
  402   2HG1  VAL  56          3HG1      VAL  56   9.292   1.699  -7.889
  403   3HG1  VAL  56          2HG1      VAL  56  10.706   1.234  -6.942
  404   1HG2  VAL  56          2HG2      VAL  56   9.367   4.272  -7.396
  405   2HG2  VAL  56          1HG2      VAL  56  10.146   4.681  -5.867
  406   3HG2  VAL  56          3HG2      VAL  56  10.989   3.675  -7.045
  407    H    TYR  57           HN       TYR  57   6.799   0.601  -6.184
  408    HA   TYR  57           HA       TYR  57   5.689   0.169  -3.534
  409   1HB   TYR  57           HB2      TYR  57   6.169  -1.823  -5.766
  410   2HB   TYR  57           HB1      TYR  57   4.912  -1.881  -4.530
  411    HD1  TYR  57           HD1      TYR  57   4.856  -1.691  -7.759
  412    HD2  TYR  57           HD2      TYR  57   4.150   1.023  -4.508
  413    HE1  TYR  57           HE1      TYR  57   3.357  -0.352  -9.210
  414    HE2  TYR  57           HE2      TYR  57   2.644   2.364  -5.956
  415    HH   TYR  57           HH       TYR  57   1.216   1.399  -8.518
  416    H    ASN  58           HN       ASN  58   8.132   0.633  -2.762
  417    HA   ASN  58           HA       ASN  58  10.121  -1.398  -2.943
  418   1HB   ASN  58           HB2      ASN  58   9.640   1.074  -1.631
  419   2HB   ASN  58           HB1      ASN  58  10.119  -0.076  -0.383
  420   1HD2  ASN  58          1HD2      ASN  58  11.526   2.212  -2.157
  421   2HD2  ASN  58          2HD2      ASN  58  13.023   1.492  -2.509
  422    H    THR  59           HN       THR  59  10.009  -3.476  -2.190
  423    HA   THR  59           HA       THR  59   7.976  -4.205  -0.163
  424    HB   THR  59           HB       THR  59   8.528  -6.464  -0.863
  425    HG1  THR  59           HG1      THR  59  10.790  -5.166  -1.921
  426   1HG2  THR  59          1HG2      THR  59   7.445  -4.620  -2.503
  427   2HG2  THR  59          3HG2      THR  59   8.847  -5.073  -3.471
  428   3HG2  THR  59          2HG2      THR  59   7.677  -6.300  -2.986
  429    H    ARG  60           HN       ARG  60   8.580  -4.053   1.963
  430    HA   ARG  60           HA       ARG  60  10.936  -5.371   2.990
  431   1HB   ARG  60           HB2      ARG  60  11.082  -2.576   2.088
  432   2HB   ARG  60           HB1      ARG  60  11.641  -2.802   3.746
  433   1HG   ARG  60           HG2      ARG  60  12.629  -4.924   2.036
  434   2HG   ARG  60           HG1      ARG  60  13.087  -3.345   1.398
  435   1HD   ARG  60           HD2      ARG  60  14.492  -2.908   3.154
  436   2HD   ARG  60           HD1      ARG  60  13.406  -3.667   4.335
  437    HE   ARG  60           HE       ARG  60  14.176  -5.870   3.081
  438   1HH1  ARG  60          1HH1      ARG  60  15.814  -4.412   5.356
  439   2HH1  ARG  60          2HH1      ARG  60  17.415  -4.654   4.741
  440   1HH2  ARG  60          1HH2      ARG  60  16.345  -5.612   1.586
  441   2HH2  ARG  60          2HH2      ARG  60  17.715  -5.334   2.607

  No H/Q in entry =         441
  Start of MODEL    3
    1    H1   MET   1           HT2      MET   1  14.411  -8.109 -14.457
    2    H2   MET   1           HT1      MET   1  12.974  -7.609 -15.212
    3    H3   MET   1           HT3      MET   1  14.216  -6.489 -14.932
    4    HA   MET   1           HA       MET   1  13.642  -6.160 -12.784
    5   1HB   MET   1           HB2      MET   1  11.571  -6.384 -14.545
    6   2HB   MET   1           HB1      MET   1  11.061  -7.524 -13.299
    7   1HG   MET   1           HG2      MET   1  11.898  -5.442 -11.755
    8   2HG   MET   1           HG1      MET   1  11.305  -4.577 -13.173
    9   1HE   MET   1           HE3      MET   1  10.035  -3.969 -10.553
   10   2HE   MET   1           HE2      MET   1   8.760  -5.011  -9.926
   11   3HE   MET   1           HE1      MET   1  10.438  -5.543  -9.851
   12    H    GLU   2           HN       GLU   2  15.222  -8.134 -12.260
   13    HA   GLU   2           HA       GLU   2  13.655 -10.324 -10.942
   14   1HB   GLU   2           HB2      GLU   2  15.881 -10.253 -12.693
   15   2HB   GLU   2           HB1      GLU   2  16.504 -10.762 -11.123
   16   1HG   GLU   2           HG2      GLU   2  14.467 -12.370 -11.076
   17   2HG   GLU   2           HG1      GLU   2  14.373 -12.064 -12.810
   18    H    ASP   3           HN       ASP   3  15.787  -7.634 -10.381
   19    HA   ASP   3           HA       ASP   3  16.380  -8.560  -7.610
   20   1HB   ASP   3           HB2      ASP   3  17.462  -6.512  -9.528
   21   2HB   ASP   3           HB1      ASP   3  17.800  -6.352  -7.804
   22    H    GLU   4           HN       GLU   4  16.621  -6.072  -6.366
   23    HA   GLU   4           HA       GLU   4  14.077  -5.506  -5.363
   24   1HB   GLU   4           HB2      GLU   4  16.504  -3.725  -5.748
   25   2HB   GLU   4           HB1      GLU   4  15.154  -3.334  -4.682
   26   1HG   GLU   4           HG2      GLU   4  15.549  -5.445  -3.436
   27   2HG   GLU   4           HG1      GLU   4  16.936  -5.779  -4.474
   28    H    ASP   5           HN       ASP   5  15.782  -3.424  -7.746
   29    HA   ASP   5           HA       ASP   5  14.895  -1.943  -9.365
   30   1HB   ASP   5           HB2      ASP   5  13.663  -4.530  -9.497
   31   2HB   ASP   5           HB1      ASP   5  12.447  -3.316  -9.896
   32    H    VAL   6           HN       VAL   6  12.511  -0.927  -9.957
   33    HA   VAL   6           HA       VAL   6  11.684   0.458  -7.507
   34    HB   VAL   6           HB       VAL   6  11.013   0.568 -10.451
   35   1HG1  VAL   6          3HG1      VAL   6   9.742   2.118  -8.177
   36   2HG1  VAL   6          2HG1      VAL   6   9.632   2.595  -9.872
   37   3HG1  VAL   6          1HG1      VAL   6   8.924   1.070  -9.337
   38   1HG2  VAL   6          2HG2      VAL   6  13.036   1.675  -8.906
   39   2HG2  VAL   6          1HG2      VAL   6  12.525   2.257 -10.491
   40   3HG2  VAL   6          3HG2      VAL   6  11.864   2.986  -9.027
   41    HA   PRO   7           HA       PRO   7   8.375  -2.413  -6.737
   42   1HB   PRO   7           HB2      PRO   7   7.215  -1.025  -4.693
   43   2HB   PRO   7           HB1      PRO   7   8.708  -1.962  -4.494
   44   1HG   PRO   7           HG2      PRO   7   8.338   0.966  -4.828
   45   2HG   PRO   7           HG1      PRO   7   9.487   0.083  -3.812
   46   1HD   PRO   7           HD2      PRO   7  10.144   1.238  -6.205
   47   2HD   PRO   7           HD1      PRO   7  10.999  -0.157  -5.510
   48    H    VAL   8           HN       VAL   8   5.982  -2.370  -6.836
   49    HA   VAL   8           HA       VAL   8   4.888   0.081  -8.171
   50    HB   VAL   8           HB       VAL   8   4.110  -2.761  -8.833
   51   1HG1  VAL   8          2HG1      VAL   8   2.848  -0.553  -9.528
   52   2HG1  VAL   8          1HG1      VAL   8   4.150  -0.418 -10.710
   53   3HG1  VAL   8          3HG1      VAL   8   3.097  -1.833 -10.716
   54   1HG2  VAL   8          3HG2      VAL   8   6.627  -1.393  -9.399
   55   2HG2  VAL   8          2HG2      VAL   8   6.183  -3.076  -9.684
   56   3HG2  VAL   8          1HG2      VAL   8   5.778  -1.843 -10.878
   57    H    CYS   9           HN       CYS   9   2.775   0.643  -7.587
   58    HA   CYS   9           HA       CYS   9   1.781  -0.339  -5.055
   59   1HB   CYS   9           HB2      CYS   9   1.418   1.942  -5.667
   60   2HB   CYS   9           HB1      CYS   9   0.749   1.491  -7.233
   61    H    TRP  10           HN       TRP  10   0.831  -2.305  -4.885
   62    HA   TRP  10           HA       TRP  10  -0.143  -3.939  -6.975
   63   1HB   TRP  10           HB2      TRP  10  -1.149  -5.186  -5.080
   64   2HB   TRP  10           HB1      TRP  10   0.488  -4.648  -4.700
   65    HD1  TRP  10           HD1      TRP  10   0.769  -2.611  -2.991
   66    HE1  TRP  10           HE1      TRP  10  -0.834  -1.644  -1.212
   67    HE3  TRP  10           HE3      TRP  10  -3.633  -4.726  -4.502
   68    HZ2  TRP  10           HZ2      TRP  10  -3.605  -1.749  -0.523
   69    HZ3  TRP  10           HZ3      TRP  10  -5.734  -4.276  -3.267
   70    HH2  TRP  10           HH2      TRP  10  -5.726  -2.791  -1.281
   71    H    ILE  11           HN       ILE  11  -1.679  -1.200  -5.470
   72    HA   ILE  11           HA       ILE  11  -4.424  -2.036  -5.972
   73    HB   ILE  11           HB       ILE  11  -3.310   0.749  -5.554
   74   1HG1  ILE  11          2HG1      ILE  11  -3.815  -1.515  -3.608
   75   2HG1  ILE  11          1HG1      ILE  11  -2.336  -0.578  -3.819
   76   1HG2  ILE  11          2HG2      ILE  11  -5.956  -0.568  -4.860
   77   2HG2  ILE  11          1HG2      ILE  11  -5.504   1.082  -4.434
   78   3HG2  ILE  11          3HG2      ILE  11  -5.697   0.631  -6.127
   79   1HD1  ILE  11          2HD1      ILE  11  -4.972   0.539  -2.821
   80   2HD1  ILE  11          1HD1      ILE  11  -3.598   0.121  -1.798
   81   3HD1  ILE  11          3HD1      ILE  11  -3.457   1.430  -2.972
   82    H    CYS  12           HN       CYS  12  -2.411   0.533  -7.493
   83    HA   CYS  12           HA       CYS  12  -4.233   0.445  -9.854
   84   1HB   CYS  12           HB2      CYS  12  -3.148   2.612 -10.362
   85   2HB   CYS  12           HB1      CYS  12  -3.775   2.589  -8.712
   86    H    ASN  13           HN       ASN  13  -1.488  -1.109  -8.920
   87    HA   ASN  13           HA       ASN  13   0.242  -2.200 -10.103
   88   1HB   ASN  13           HB2      ASN  13  -1.862  -1.634 -12.203
   89   2HB   ASN  13           HB1      ASN  13  -0.413  -2.575 -12.559
   90   1HD2  ASN  13          1HD2      ASN  13  -3.375  -2.539 -10.573
   91   2HD2  ASN  13          2HD2      ASN  13  -3.348  -4.197 -10.210
   92    H    GLU  14           HN       GLU  14   0.937   0.395  -9.563
   93    HA   GLU  14           HA       GLU  14   2.320   1.230 -12.082
   94   1HB   GLU  14           HB2      GLU  14   0.406   2.666 -11.893
   95   2HB   GLU  14           HB1      GLU  14   0.661   2.881 -10.161
   96   1HG   GLU  14           HG2      GLU  14   2.433   4.345 -10.460
   97   2HG   GLU  14           HG1      GLU  14   2.860   3.669 -12.033
   98    H    GLU  15           HN       GLU  15   4.463   1.758 -11.725
   99    HA   GLU  15           HA       GLU  15   5.794   1.146  -9.292
  100   1HB   GLU  15           HB2      GLU  15   6.360   2.525 -11.863
  101   2HB   GLU  15           HB1      GLU  15   7.473   2.875 -10.540
  102   1HG   GLU  15           HG2      GLU  15   8.511   0.961 -11.189
  103   2HG   GLU  15           HG1      GLU  15   7.206   0.156 -10.318
  104    H    LEU  16           HN       LEU  16   6.337   2.376  -7.511
  105    HA   LEU  16           HA       LEU  16   5.354   5.211  -7.495
  106   1HB   LEU  16           HB2      LEU  16   4.948   4.677  -5.012
  107   2HB   LEU  16           HB1      LEU  16   3.876   3.889  -6.166
  108    HG   LEU  16           HG       LEU  16   6.386   2.457  -5.407
  109   1HD1  LEU  16          2HD1      LEU  16   4.820   3.481  -3.401
  110   2HD1  LEU  16          1HD1      LEU  16   4.071   1.907  -3.675
  111   3HD1  LEU  16          3HD1      LEU  16   5.784   2.010  -3.264
  112   1HD2  LEU  16          2HD2      LEU  16   4.713   1.577  -7.077
  113   2HD2  LEU  16          1HD2      LEU  16   4.963   0.505  -5.698
  114   3HD2  LEU  16          3HD2      LEU  16   3.525   1.522  -5.779
  115    H    GLY  17           HN       GLY  17   8.023   3.152  -7.202
  116   1HA   GLY  17           HA1      GLY  17   9.709   5.384  -6.287
  117   2HA   GLY  17           HA2      GLY  17  10.285   3.843  -6.919
  118    H    ASN  18           HN       ASN  18   7.871   4.016  -4.409
  119    HA   ASN  18           HA       ASN  18   8.140   2.433  -2.475
  120   1HB   ASN  18           HB2      ASN  18  10.578   2.156  -2.916
  121   2HB   ASN  18           HB1      ASN  18  10.852   3.802  -2.341
  122   1HD2  ASN  18          1HD2      ASN  18  10.889   4.151  -0.062
  123   2HD2  ASN  18          2HD2      ASN  18  10.687   2.905   1.072
  124    H    GLU  19           HN       GLU  19   6.597   4.565  -2.756
  125    HA   GLU  19           HA       GLU  19   7.194   6.944  -1.342
  126   1HB   GLU  19           HB2      GLU  19   4.769   5.393  -2.155
  127   2HB   GLU  19           HB1      GLU  19   4.545   6.726  -1.023
  128   1HG   GLU  19           HG2      GLU  19   6.226   7.193  -3.456
  129   2HG   GLU  19           HG1      GLU  19   4.473   7.152  -3.640
  130    H    ARG  20           HN       ARG  20   7.603   7.224   0.784
  131    HA   ARG  20           HA       ARG  20   7.516   5.147   2.735
  132   1HB   ARG  20           HB2      ARG  20   8.577   7.647   2.504
  133   2HB   ARG  20           HB1      ARG  20   7.260   7.959   3.637
  134   1HG   ARG  20           HG2      ARG  20   9.108   7.358   5.007
  135   2HG   ARG  20           HG1      ARG  20   8.108   5.906   4.930
  136   1HD   ARG  20           HD2      ARG  20  10.043   4.864   4.295
  137   2HD   ARG  20           HD1      ARG  20   9.744   5.616   2.715
  138    HE   ARG  20           HE       ARG  20  10.960   7.629   4.174
  139   1HH1  ARG  20          1HH1      ARG  20  12.465   6.734   1.903
  140   2HH1  ARG  20          2HH1      ARG  20  13.837   5.924   2.581
  141   1HH2  ARG  20          1HH2      ARG  20  12.402   5.555   5.716
  142   2HH2  ARG  20          2HH2      ARG  20  13.801   5.256   4.741
  143    H    PHE  21           HN       PHE  21   5.485   4.179   2.925
  144    HA   PHE  21           HA       PHE  21   3.378   5.819   4.248
  145   1HB   PHE  21           HB2      PHE  21   2.801   5.863   1.907
  146   2HB   PHE  21           HB1      PHE  21   3.153   4.146   1.729
  147    HD1  PHE  21           HD1      PHE  21   1.502   5.116   4.814
  148    HD2  PHE  21           HD2      PHE  21   0.841   3.958   0.731
  149    HE1  PHE  21           HE1      PHE  21  -0.859   4.569   5.347
  150    HE2  PHE  21           HE2      PHE  21  -1.514   3.415   1.263
  151    HZ   PHE  21           HZ       PHE  21  -2.368   3.715   3.570
  152    H    ARG  22           HN       ARG  22   3.510   4.684   6.203
  153    HA   ARG  22           HA       ARG  22   3.929   1.821   6.367
  154   1HB   ARG  22           HB2      ARG  22   4.629   3.233   8.165
  155   2HB   ARG  22           HB1      ARG  22   3.049   4.009   8.264
  156   1HG   ARG  22           HG2      ARG  22   2.099   1.725   8.868
  157   2HG   ARG  22           HG1      ARG  22   3.765   1.175   9.044
  158   1HD   ARG  22           HD2      ARG  22   3.725   3.554  10.493
  159   2HD   ARG  22           HD1      ARG  22   2.164   2.801  10.873
  160    HE   ARG  22           HE       ARG  22   4.339   0.873  10.900
  161   1HH1  ARG  22          1HH1      ARG  22   4.743   3.446  12.713
  162   2HH1  ARG  22          2HH1      ARG  22   4.275   2.775  14.240
  163   1HH2  ARG  22          1HH2      ARG  22   2.850  -0.067  12.853
  164   2HH2  ARG  22          2HH2      ARG  22   3.201   0.785  14.319
  165    H    ALA  23           HN       ALA  23   2.328   0.542   5.459
  166    HA   ALA  23           HA       ALA  23  -0.441   0.893   6.527
  167   1HB   ALA  23           HB2      ALA  23  -0.579   0.010   3.827
  168   2HB   ALA  23           HB3      ALA  23   0.542   1.372   3.866
  169   3HB   ALA  23           HB1      ALA  23  -1.102   1.565   4.477
  170    H    CYS  24           HN       CYS  24   1.991  -1.227   5.057
  171    HA   CYS  24           HA       CYS  24   1.006  -3.519   6.542
  172   1HB   CYS  24           HB2      CYS  24  -0.726  -3.740   5.031
  173   2HB   CYS  24           HB1      CYS  24   0.164  -2.962   3.730
  174    H    GLY  25           HN       GLY  25   2.238  -5.518   5.885
  175   1HA   GLY  25           HA1      GLY  25   4.906  -5.475   6.038
  176   2HA   GLY  25           HA2      GLY  25   4.716  -5.024   4.342
  177    H    CYS  26           HN       CYS  26   2.758  -6.587   3.398
  178    HA   CYS  26           HA       CYS  26   2.647  -9.293   4.295
  179   1HB   CYS  26           HB2      CYS  26   2.043  -7.749   1.805
  180   2HB   CYS  26           HB1      CYS  26   2.043  -9.510   1.704
  181    H    THR  27           HN       THR  27   3.725  -9.165   1.015
  182    HA   THR  27           HA       THR  27   6.379 -10.289   1.837
  183    HB   THR  27           HB       THR  27   5.929 -11.707  -0.328
  184    HG1  THR  27           HG1      THR  27   3.502 -12.053  -0.245
  185   1HG2  THR  27          1HG2      THR  27   5.889 -12.353   2.210
  186   2HG2  THR  27          3HG2      THR  27   4.139 -12.388   1.986
  187   3HG2  THR  27          2HG2      THR  27   5.172 -13.451   1.029
  188    H    GLY  28           HN       GLY  28   4.654  -8.051  -0.160
  189   1HA   GLY  28           HA1      GLY  28   6.661  -7.860  -2.252
  190   2HA   GLY  28           HA2      GLY  28   6.864  -6.611  -1.026
  191    H    GLU  29           HN       GLU  29   4.158  -8.058  -2.904
  192    HA   GLU  29           HA       GLU  29   3.456  -5.782  -4.375
  193   1HB   GLU  29           HB2      GLU  29   1.373  -6.917  -4.725
  194   2HB   GLU  29           HB1      GLU  29   2.584  -8.176  -4.492
  195   1HG   GLU  29           HG2      GLU  29   1.938  -8.285  -2.077
  196   2HG   GLU  29           HG1      GLU  29   0.648  -7.128  -2.407
  197    H    LEU  30           HN       LEU  30   2.243  -6.693  -1.123
  198    HA   LEU  30           HA       LEU  30   0.705  -4.196  -0.922
  199   1HB   LEU  30           HB2      LEU  30   0.477  -6.704   0.110
  200   2HB   LEU  30           HB1      LEU  30   1.268  -5.886   1.456
  201    HG   LEU  30           HG       LEU  30  -1.172  -5.737   1.691
  202   1HD1  LEU  30          2HD1      LEU  30   0.598  -3.683   1.950
  203   2HD1  LEU  30          1HD1      LEU  30  -0.581  -2.966   0.851
  204   3HD1  LEU  30          3HD1      LEU  30  -1.099  -3.584   2.420
  205   1HD2  LEU  30          3HD2      LEU  30  -1.641  -5.885  -0.782
  206   2HD2  LEU  30          2HD2      LEU  30  -2.545  -4.613   0.041
  207   3HD2  LEU  30          1HD2      LEU  30  -1.129  -4.203  -0.925
  208    H    GLU  31           HN       GLU  31   3.886  -5.337  -0.144
  209    HA   GLU  31           HA       GLU  31   4.623  -3.675   2.026
  210   1HB   GLU  31           HB2      GLU  31   5.821  -5.340   0.007
  211   2HB   GLU  31           HB1      GLU  31   6.776  -3.865   0.171
  212   1HG   GLU  31           HG2      GLU  31   5.852  -5.337   2.626
  213   2HG   GLU  31           HG1      GLU  31   7.285  -5.886   1.756
  214    H    ASN  32           HN       ASN  32   4.955  -3.003  -1.496
  215    HA   ASN  32           HA       ASN  32   5.366  -0.120  -0.853
  216   1HB   ASN  32           HB2      ASN  32   5.547  -1.575  -3.504
  217   2HB   ASN  32           HB1      ASN  32   6.274  -0.029  -3.077
  218   1HD2  ASN  32          1HD2      ASN  32   6.937  -3.330  -3.353
  219   2HD2  ASN  32          2HD2      ASN  32   8.335  -3.392  -2.390
  220    H    VAL  33           HN       VAL  33   3.544   1.154  -0.975
  221    HA   VAL  33           HA       VAL  33   1.610   0.624  -3.157
  222    HB   VAL  33           HB       VAL  33   0.758  -0.730  -1.383
  223   1HG1  VAL  33          2HG1      VAL  33   2.191   0.535   0.358
  224   2HG1  VAL  33          1HG1      VAL  33   0.817   1.634   0.488
  225   3HG1  VAL  33          3HG1      VAL  33   0.621  -0.074   0.883
  226   1HG2  VAL  33          3HG2      VAL  33  -0.854   0.776  -2.567
  227   2HG2  VAL  33          2HG2      VAL  33  -1.374   0.349  -0.936
  228   3HG2  VAL  33          1HG2      VAL  33  -0.671   1.936  -1.252
  229    H    HIS  34           HN       HIS  34   0.557   2.463  -3.834
  230    HA   HIS  34           HA       HIS  34   1.597   5.055  -3.131
  231   1HB   HIS  34           HB2      HIS  34  -0.568   3.838  -4.770
  232   2HB   HIS  34           HB1      HIS  34  -0.679   5.569  -4.457
  233    HD2  HIS  34           HD2      HIS  34   2.475   6.423  -4.845
  234    HE1  HIS  34           HE1      HIS  34   2.228   4.394  -8.551
  235    HE2  HIS  34           HE2      HIS  34   3.533   6.060  -7.183
  236    H    ARG  35           HN       ARG  35   0.997   6.289  -1.371
  237    HA   ARG  35           HA       ARG  35  -1.059   5.490   0.483
  238   1HB   ARG  35           HB2      ARG  35   0.926   6.800   1.082
  239   2HB   ARG  35           HB1      ARG  35   0.409   8.105   0.014
  240   1HG   ARG  35           HG2      ARG  35  -1.209   8.838   1.464
  241   2HG   ARG  35           HG1      ARG  35  -1.558   7.212   2.055
  242   1HD   ARG  35           HD2      ARG  35  -0.457   8.046   3.917
  243   2HD   ARG  35           HD1      ARG  35   0.949   7.466   3.003
  244    HE   ARG  35           HE       ARG  35   1.382   9.736   2.287
  245   1HH1  ARG  35          1HH1      ARG  35   1.624  11.684   3.566
  246   2HH1  ARG  35          2HH1      ARG  35   0.185  12.352   4.263
  247   1HH2  ARG  35          1HH2      ARG  35  -1.779   9.596   3.510
  248   2HH2  ARG  35          2HH2      ARG  35  -1.741  11.170   4.230
  249    H    SER  36           HN       SER  36  -1.090   7.296  -2.450
  250    HA   SER  36           HA       SER  36  -3.436   8.917  -1.941
  251   1HB   SER  36           HB2      SER  36  -1.567   8.262  -4.111
  252   2HB   SER  36           HB1      SER  36  -3.199   8.603  -4.676
  253    HG   SER  36           HG       SER  36  -2.178  10.549  -4.520
  254    H    CYS  37           HN       CYS  37  -3.061   6.102  -4.163
  255    HA   CYS  37           HA       CYS  37  -5.957   5.772  -4.298
  256   1HB   CYS  37           HB2      CYS  37  -5.252   3.682  -5.616
  257   2HB   CYS  37           HB1      CYS  37  -4.757   5.238  -6.261
  258    HG   CYS  37           HG       CYS  37  -2.781   3.464  -4.608
  259    H    LEU  38           HN       LEU  38  -3.472   4.423  -2.223
  260    HA   LEU  38           HA       LEU  38  -5.078   2.075  -1.490
  261   1HB   LEU  38           HB2      LEU  38  -2.732   1.845  -1.277
  262   2HB   LEU  38           HB1      LEU  38  -2.562   3.412  -0.486
  263    HG   LEU  38           HG       LEU  38  -3.551   2.606   1.538
  264   1HD1  LEU  38          2HD1      LEU  38  -5.331   1.259   0.336
  265   2HD1  LEU  38          1HD1      LEU  38  -4.132  -0.019   0.145
  266   3HD1  LEU  38          3HD1      LEU  38  -4.645   0.475   1.758
  267   1HD2  LEU  38          2HD2      LEU  38  -1.184   1.662   0.671
  268   2HD2  LEU  38          1HD2      LEU  38  -1.866   1.204   2.232
  269   3HD2  LEU  38          3HD2      LEU  38  -2.044   0.132   0.843
  270    H    SER  39           HN       SER  39  -4.010   4.953   0.367
  271    HA   SER  39           HA       SER  39  -5.715   4.617   2.589
  272   1HB   SER  39           HB2      SER  39  -5.067   6.841   3.086
  273   2HB   SER  39           HB1      SER  39  -3.752   6.240   2.079
  274    HG   SER  39           HG       SER  39  -4.530   7.376   0.381
  275    H    THR  40           HN       THR  40  -6.406   5.860  -0.632
  276    HA   THR  40           HA       THR  40  -9.049   6.905   0.175
  277    HB   THR  40           HB       THR  40  -7.402   7.853  -1.585
  278    HG1  THR  40           HG1      THR  40  -9.371   8.115  -3.060
  279   1HG2  THR  40          2HG2      THR  40  -7.058   5.624  -2.690
  280   2HG2  THR  40          1HG2      THR  40  -8.718   5.711  -3.274
  281   3HG2  THR  40          3HG2      THR  40  -7.532   6.902  -3.808
  282    H    TRP  41           HN       TRP  41  -7.666   4.099  -1.486
  283    HA   TRP  41           HA       TRP  41 -10.119   3.014  -2.508
  284   1HB   TRP  41           HB2      TRP  41  -8.145   2.121  -3.398
  285   2HB   TRP  41           HB1      TRP  41  -7.360   2.023  -1.825
  286    HD1  TRP  41           HD1      TRP  41 -10.034   0.266  -3.951
  287    HE1  TRP  41           HE1      TRP  41 -10.287  -2.160  -3.115
  288    HE3  TRP  41           HE3      TRP  41  -6.997   0.422   0.157
  289    HZ2  TRP  41           HZ2      TRP  41  -9.327  -3.815  -0.988
  290    HZ3  TRP  41           HZ3      TRP  41  -6.683  -1.594   1.564
  291    HH2  TRP  41           HH2      TRP  41  -7.846  -3.709   0.999
  292    H    LEU  42           HN       LEU  42  -8.251   2.064   0.415
  293    HA   LEU  42           HA       LEU  42 -10.124   0.304   1.548
  294   1HB   LEU  42           HB2      LEU  42  -9.043   1.073   3.731
  295   2HB   LEU  42           HB1      LEU  42  -7.927   0.541   2.476
  296    HG   LEU  42           HG       LEU  42  -8.024   3.148   1.836
  297   1HD1  LEU  42          1HD1      LEU  42  -8.914   2.929   4.692
  298   2HD1  LEU  42          3HD1      LEU  42  -7.883   4.276   4.207
  299   3HD1  LEU  42          2HD1      LEU  42  -9.453   4.047   3.439
  300   1HD2  LEU  42          2HD2      LEU  42  -6.333   1.470   3.557
  301   2HD2  LEU  42          1HD2      LEU  42  -5.867   2.571   2.262
  302   3HD2  LEU  42          3HD2      LEU  42  -6.172   3.195   3.883
  303    H    THR  43           HN       THR  43 -10.189   3.819   1.407
  304    HA   THR  43           HA       THR  43 -12.199   4.235   3.440
  305    HB   THR  43           HB       THR  43 -11.127   5.756   1.061
  306    HG1  THR  43           HG1      THR  43 -10.895   7.095   3.261
  307   1HG2  THR  43          3HG2      THR  43 -13.525   6.331   1.288
  308   2HG2  THR  43          2HG2      THR  43 -13.265   6.706   2.991
  309   3HG2  THR  43          1HG2      THR  43 -12.489   7.684   1.746
  310    H    ILE  44           HN       ILE  44 -12.291   3.542  -0.033
  311    HA   ILE  44           HA       ILE  44 -15.171   3.916  -0.300
  312    HB   ILE  44           HB       ILE  44 -13.036   2.551  -1.972
  313   1HG1  ILE  44          2HG1      ILE  44 -14.423   5.102  -2.703
  314   2HG1  ILE  44          1HG1      ILE  44 -13.172   5.161  -1.460
  315   1HG2  ILE  44          2HG2      ILE  44 -15.908   2.481  -2.186
  316   2HG2  ILE  44          1HG2      ILE  44 -15.240   3.376  -3.551
  317   3HG2  ILE  44          3HG2      ILE  44 -14.707   1.726  -3.233
  318   1HD1  ILE  44          1HD1      ILE  44 -11.911   3.631  -3.300
  319   2HD1  ILE  44          3HD1      ILE  44 -12.926   4.603  -4.366
  320   3HD1  ILE  44          2HD1      ILE  44 -11.789   5.390  -3.271
  321    H    SER  45           HN       SER  45 -12.996   1.083  -0.061
  322    HA   SER  45           HA       SER  45 -15.271  -0.783   0.062
  323   1HB   SER  45           HB2      SER  45 -13.092  -1.252  -1.072
  324   2HB   SER  45           HB1      SER  45 -12.289  -1.162   0.493
  325    HG   SER  45           HG       SER  45 -13.868  -2.837   1.131
  326    H    ARG  46           HN       ARG  46 -14.128   1.355   2.238
  327    HA   ARG  46           HA       ARG  46 -14.208   1.495   4.590
  328   1HB   ARG  46           HB2      ARG  46 -16.166  -0.529   3.684
  329   2HB   ARG  46           HB1      ARG  46 -15.740  -0.623   5.394
  330   1HG   ARG  46           HG2      ARG  46 -16.045   2.051   5.156
  331   2HG   ARG  46           HG1      ARG  46 -17.182   1.513   3.919
  332   1HD   ARG  46           HD2      ARG  46 -18.003  -0.158   5.782
  333   2HD   ARG  46           HD1      ARG  46 -17.246   1.008   6.884
  334    HE   ARG  46           HE       ARG  46 -19.316   1.787   4.861
  335   1HH1  ARG  46          1HH1      ARG  46 -17.931   4.107   5.935
  336   2HH1  ARG  46          2HH1      ARG  46 -18.829   4.502   7.361
  337   1HH2  ARG  46          1HH2      ARG  46 -20.393   1.413   7.555
  338   2HH2  ARG  46          2HH2      ARG  46 -20.224   2.978   8.278
  339    H    ASN  47           HN       ASN  47 -11.840   0.831   4.436
  340    HA   ASN  47           HA       ASN  47 -11.443  -1.746   5.905
  341   1HB   ASN  47           HB2      ASN  47 -10.012  -0.657   3.466
  342   2HB   ASN  47           HB1      ASN  47  -9.353  -1.964   4.451
  343   1HD2  ASN  47          1HD2      ASN  47 -10.280  -2.182   1.634
  344   2HD2  ASN  47          2HD2      ASN  47 -11.539  -3.321   1.639
  345    H    THR  48           HN       THR  48  -9.524  -1.715   7.279
  346    HA   THR  48           HA       THR  48  -8.402   1.028   7.751
  347    HB   THR  48           HB       THR  48  -8.490   0.345  10.193
  348    HG1  THR  48           HG1      THR  48  -9.483  -1.485  10.723
  349   1HG2  THR  48          2HG2      THR  48 -10.913   0.705   8.461
  350   2HG2  THR  48          1HG2      THR  48 -11.119   0.432  10.192
  351   3HG2  THR  48          3HG2      THR  48 -10.198   1.823   9.622
  352    H    ALA  49           HN       ALA  49  -7.901  -2.474   7.849
  353    HA   ALA  49           HA       ALA  49  -4.958  -1.972   7.828
  354   1HB   ALA  49           HB1      ALA  49  -6.063  -2.490  10.136
  355   2HB   ALA  49           HB3      ALA  49  -6.196  -4.137   9.520
  356   3HB   ALA  49           HB2      ALA  49  -4.610  -3.382   9.683
  357    H    CYS  50           HN       CYS  50  -3.774  -3.603   6.725
  358    HA   CYS  50           HA       CYS  50  -5.043  -4.980   4.589
  359   1HB   CYS  50           HB2      CYS  50  -2.624  -4.316   4.833
  360   2HB   CYS  50           HB1      CYS  50  -2.426  -5.641   5.979
  361    HG   CYS  50           HG       CYS  50  -3.505  -7.035   3.719
  362    H    GLN  51           HN       GLN  51  -6.291  -6.805   4.654
  363    HA   GLN  51           HA       GLN  51  -6.522  -8.396   7.099
  364   1HB   GLN  51           HB2      GLN  51  -7.646  -8.911   4.331
  365   2HB   GLN  51           HB1      GLN  51  -8.305  -9.461   5.872
  366   1HG   GLN  51           HG2      GLN  51  -9.496  -7.564   6.053
  367   2HG   GLN  51           HG1      GLN  51  -8.008  -6.617   5.993
  368   1HE2  GLN  51          1HE2      GLN  51 -10.367  -8.252   3.815
  369   2HE2  GLN  51          2HE2      GLN  51 -10.149  -7.171   2.524
  370    H    ILE  52           HN       ILE  52  -4.125  -8.356   4.890
  371    HA   ILE  52           HA       ILE  52  -3.903 -11.282   4.466
  372    HB   ILE  52           HB       ILE  52  -2.178  -8.921   3.637
  373   1HG1  ILE  52          2HG1      ILE  52  -4.245 -10.515   2.085
  374   2HG1  ILE  52          1HG1      ILE  52  -4.499  -8.892   2.727
  375   1HG2  ILE  52          1HG2      ILE  52  -2.220 -11.821   2.737
  376   2HG2  ILE  52          3HG2      ILE  52  -1.278 -10.542   1.970
  377   3HG2  ILE  52          2HG2      ILE  52  -0.923 -11.025   3.628
  378   1HD1  ILE  52          2HD1      ILE  52  -2.034  -8.919   1.260
  379   2HD1  ILE  52          1HD1      ILE  52  -3.300  -9.618   0.250
  380   3HD1  ILE  52          3HD1      ILE  52  -3.501  -7.999   0.921
  381    H    CYS  53           HN       CYS  53  -2.229  -8.649   6.186
  382    HA   CYS  53           HA       CYS  53  -0.632 -10.734   7.643
  383   1HB   CYS  53           HB2      CYS  53   1.046  -8.863   7.854
  384   2HB   CYS  53           HB1      CYS  53   0.743  -9.356   6.187
  385    HG   CYS  53           HG       CYS  53   0.565  -6.643   6.692
  386    H    GLY  54           HN       GLY  54  -2.883  -8.132   7.874
  387   1HA   GLY  54           HA1      GLY  54  -2.897  -8.416  10.819
  388   2HA   GLY  54           HA2      GLY  54  -4.146  -7.632   9.853
  389    H    VAL  55           HN       VAL  55  -1.700  -6.239   8.437
  390    HA   VAL  55           HA       VAL  55  -0.822  -4.391  10.577
  391    HB   VAL  55           HB       VAL  55  -0.287  -4.454   7.587
  392   1HG1  VAL  55          2HG1      VAL  55   1.020  -3.012   9.910
  393   2HG1  VAL  55          1HG1      VAL  55   1.771  -3.168   8.322
  394   3HG1  VAL  55          3HG1      VAL  55   0.252  -2.289   8.496
  395   1HG2  VAL  55          1HG2      VAL  55   0.372  -6.513   8.996
  396   2HG2  VAL  55          3HG2      VAL  55   1.656  -5.747   8.061
  397   3HG2  VAL  55          2HG2      VAL  55   1.527  -5.448   9.794
  398    H    VAL  56           HN       VAL  56  -1.447  -2.186  10.657
  399    HA   VAL  56           HA       VAL  56  -4.018  -1.549   9.375
  400    HB   VAL  56           HB       VAL  56  -2.194  -0.012  11.249
  401   1HG1  VAL  56          3HG1      VAL  56  -4.738   0.617   9.914
  402   2HG1  VAL  56          2HG1      VAL  56  -4.785   0.834  11.664
  403   3HG1  VAL  56          1HG1      VAL  56  -3.585   1.696  10.701
  404   1HG2  VAL  56          1HG2      VAL  56  -3.064  -2.217  12.096
  405   2HG2  VAL  56          3HG2      VAL  56  -3.648  -0.830  13.016
  406   3HG2  VAL  56          2HG2      VAL  56  -4.702  -1.615  11.839
  407    H    TYR  57           HN       TYR  57  -4.336   0.351   8.041
  408    HA   TYR  57           HA       TYR  57  -2.202   0.829   6.127
  409   1HB   TYR  57           HB2      TYR  57  -4.850   2.237   6.560
  410   2HB   TYR  57           HB1      TYR  57  -3.901   2.230   5.073
  411    HD1  TYR  57           HD1      TYR  57  -2.958  -0.610   5.127
  412    HD2  TYR  57           HD2      TYR  57  -6.829   1.089   5.857
  413    HE1  TYR  57           HE1      TYR  57  -4.013  -2.742   4.451
  414    HE2  TYR  57           HE2      TYR  57  -7.894  -1.046   5.176
  415    HH   TYR  57           HH       TYR  57  -7.243  -3.473   5.071
  416    H    ASN  58           HN       ASN  58  -3.599   2.613   8.840
  417    HA   ASN  58           HA       ASN  58  -2.999   4.725   9.764
  418   1HB   ASN  58           HB2      ASN  58  -1.222   2.895  10.276
  419   2HB   ASN  58           HB1      ASN  58  -0.216   3.757   9.111
  420   1HD2  ASN  58          1HD2      ASN  58   0.194   3.543  12.069
  421   2HD2  ASN  58          2HD2      ASN  58   0.201   5.139  12.647
  422    H    THR  59           HN       THR  59  -3.803   5.978   7.855
  423    HA   THR  59           HA       THR  59  -1.640   6.901   6.010
  424    HB   THR  59           HB       THR  59  -3.436   7.483   4.545
  425    HG1  THR  59           HG1      THR  59  -5.568   7.554   5.290
  426   1HG2  THR  59          1HG2      THR  59  -3.030   4.968   5.165
  427   2HG2  THR  59          3HG2      THR  59  -4.622   5.089   5.914
  428   3HG2  THR  59          2HG2      THR  59  -4.434   5.404   4.190
  429    H    ARG  60           HN       ARG  60  -1.359   9.204   5.696
  430    HA   ARG  60           HA       ARG  60  -1.077  11.397   6.539
  431   1HB   ARG  60           HB2      ARG  60  -3.727  10.777   6.093
  432   2HB   ARG  60           HB1      ARG  60  -3.762  11.380   7.750
  433   1HG   ARG  60           HG2      ARG  60  -2.503  13.401   7.002
  434   2HG   ARG  60           HG1      ARG  60  -2.605  12.813   5.342
  435   1HD   ARG  60           HD2      ARG  60  -4.657  13.747   5.152
  436   2HD   ARG  60           HD1      ARG  60  -5.238  12.723   6.482
  437    HE   ARG  60           HE       ARG  60  -5.116  14.650   7.829
  438   1HH1  ARG  60          1HH1      ARG  60  -3.211  15.053   5.014
  439   2HH1  ARG  60          2HH1      ARG  60  -2.353  16.432   5.616
  440   1HH2  ARG  60          1HH2      ARG  60  -3.822  16.307   8.755
  441   2HH2  ARG  60          2HH2      ARG  60  -2.699  17.142   7.734

  No H/Q in entry =         441
  Start of MODEL    4
    1    H1   MET   1           HT1      MET   1   1.918  15.648   5.960
    2    H2   MET   1           HT3      MET   1   2.741  14.405   5.151
    3    H3   MET   1           HT2      MET   1   2.868  14.546   6.839
    4    HA   MET   1           HA       MET   1   4.881  15.389   5.823
    5   1HB   MET   1           HB2      MET   1   3.813  15.809   3.648
    6   2HB   MET   1           HB1      MET   1   2.867  17.122   4.351
    7   1HG   MET   1           HG2      MET   1   4.565  18.565   4.050
    8   2HG   MET   1           HG1      MET   1   5.660  17.516   4.951
    9   1HE   MET   1           HE2      MET   1   4.809  19.228   2.063
   10   2HE   MET   1           HE1      MET   1   5.576  18.500   0.654
   11   3HE   MET   1           HE3      MET   1   4.003  17.912   1.212
   12    H    GLU   2           HN       GLU   2   2.698  16.025   7.999
   13    HA   GLU   2           HA       GLU   2   3.469  18.833   8.630
   14   1HB   GLU   2           HB2      GLU   2   1.379  16.878   9.615
   15   2HB   GLU   2           HB1      GLU   2   1.653  18.433  10.401
   16   1HG   GLU   2           HG2      GLU   2   1.506  18.991   7.640
   17   2HG   GLU   2           HG1      GLU   2   0.191  17.864   7.972
   18    H    ASP   3           HN       ASP   3   4.025  15.536   9.647
   19    HA   ASP   3           HA       ASP   3   5.873  16.544  11.764
   20   1HB   ASP   3           HB2      ASP   3   4.909  14.962  13.356
   21   2HB   ASP   3           HB1      ASP   3   3.619  15.978  12.710
   22    H    GLU   4           HN       GLU   4   6.315  13.781  12.697
   23    HA   GLU   4           HA       GLU   4   7.795  12.730  10.308
   24   1HB   GLU   4           HB2      GLU   4   8.378  12.788  13.277
   25   2HB   GLU   4           HB1      GLU   4   9.298  11.781  12.159
   26   1HG   GLU   4           HG2      GLU   4   9.445  14.083  10.805
   27   2HG   GLU   4           HG1      GLU   4   9.241  14.753  12.424
   28    H    ASP   5           HN       ASP   5   7.737  10.812  13.180
   29    HA   ASP   5           HA       ASP   5   6.710   8.737  13.653
   30   1HB   ASP   5           HB2      ASP   5   4.773  10.518  13.224
   31   2HB   ASP   5           HB1      ASP   5   4.473   9.502  11.813
   32    H    VAL   6           HN       VAL   6   6.170   6.656  12.589
   33    HA   VAL   6           HA       VAL   6   6.874   6.568   9.677
   34    HB   VAL   6           HB       VAL   6   7.866   4.764  11.908
   35   1HG1  VAL   6          2HG1      VAL   6   7.533   3.779   9.562
   36   2HG1  VAL   6          1HG1      VAL   6   8.810   4.877   9.037
   37   3HG1  VAL   6          3HG1      VAL   6   9.152   3.639  10.246
   38   1HG2  VAL   6          2HG2      VAL   6   8.789   7.311  10.908
   39   2HG2  VAL   6          1HG2      VAL   6   9.458   6.330  12.211
   40   3HG2  VAL   6          3HG2      VAL   6   9.983   6.063  10.549
   41    HA   PRO   7           HA       PRO   7   3.032   4.254   9.994
   42   1HB   PRO   7           HB2      PRO   7   2.614   4.105   7.295
   43   2HB   PRO   7           HB1      PRO   7   2.234   5.550   8.254
   44   1HG   PRO   7           HG2      PRO   7   4.589   4.990   6.525
   45   2HG   PRO   7           HG1      PRO   7   3.677   6.493   6.734
   46   1HD   PRO   7           HD2      PRO   7   6.084   6.025   7.920
   47   2HD   PRO   7           HD1      PRO   7   4.844   7.092   8.614
   48    H    VAL   8           HN       VAL   8   2.375   2.084   9.210
   49    HA   VAL   8           HA       VAL   8   4.704   0.419   8.317
   50    HB   VAL   8           HB       VAL   8   2.482  -0.323  10.241
   51   1HG1  VAL   8          2HG1      VAL   8   4.025  -2.006   8.825
   52   2HG1  VAL   8          1HG1      VAL   8   5.136  -1.677  10.155
   53   3HG1  VAL   8          3HG1      VAL   8   3.540  -2.351  10.485
   54   1HG2  VAL   8          2HG2      VAL   8   5.235   0.833  10.673
   55   2HG2  VAL   8          1HG2      VAL   8   3.705   1.347  11.384
   56   3HG2  VAL   8          3HG2      VAL   8   4.461  -0.158  11.909
   57    H    CYS   9           HN       CYS   9   4.182  -1.320   6.904
   58    HA   CYS   9           HA       CYS   9   1.944  -0.921   5.139
   59   1HB   CYS   9           HB2      CYS   9   4.067  -1.896   4.435
   60   2HB   CYS   9           HB1      CYS   9   3.873  -3.222   5.579
   61    H    TRP  10           HN       TRP  10  -0.115  -1.647   5.385
   62    HA   TRP  10           HA       TRP  10  -0.966  -3.093   7.737
   63   1HB   TRP  10           HB2      TRP  10  -3.165  -2.927   6.588
   64   2HB   TRP  10           HB1      TRP  10  -2.294  -1.394   6.560
   65    HD1  TRP  10           HD1      TRP  10  -1.410  -0.502   4.247
   66    HE1  TRP  10           HE1      TRP  10  -1.873  -1.209   1.808
   67    HE3  TRP  10           HE3      TRP  10  -3.665  -5.022   5.039
   68    HZ2  TRP  10           HZ2      TRP  10  -3.041  -3.399   0.384
   69    HZ3  TRP  10           HZ3      TRP  10  -4.439  -6.394   3.126
   70    HH2  TRP  10           HH2      TRP  10  -4.130  -5.589   0.802
   71    H    ILE  11           HN       ILE  11   0.202  -4.126   4.657
   72    HA   ILE  11           HA       ILE  11  -1.237  -6.669   4.580
   73    HB   ILE  11           HB       ILE  11   1.274  -5.796   3.123
   74   1HG1  ILE  11          2HG1      ILE  11  -1.652  -5.231   2.552
   75   2HG1  ILE  11          1HG1      ILE  11  -0.382  -4.045   2.855
   76   1HG2  ILE  11          2HG2      ILE  11   0.431  -8.219   3.022
   77   2HG2  ILE  11          1HG2      ILE  11  -0.976  -7.580   2.173
   78   3HG2  ILE  11          3HG2      ILE  11   0.633  -7.395   1.475
   79   1HD1  ILE  11          2HD1      ILE  11   0.807  -5.078   0.807
   80   2HD1  ILE  11          1HD1      ILE  11  -0.751  -5.817   0.442
   81   3HD1  ILE  11          3HD1      ILE  11  -0.601  -4.061   0.500
   82    H    CYS  12           HN       CYS  12   2.246  -5.876   5.018
   83    HA   CYS  12           HA       CYS  12   2.605  -8.535   6.326
   84   1HB   CYS  12           HB2      CYS  12   4.931  -8.215   5.753
   85   2HB   CYS  12           HB1      CYS  12   3.978  -7.740   4.348
   86    H    ASN  13           HN       ASN  13   2.059  -5.338   7.200
   87    HA   ASN  13           HA       ASN  13   2.205  -4.262   9.305
   88   1HB   ASN  13           HB2      ASN  13   2.184  -7.094   9.706
   89   2HB   ASN  13           HB1      ASN  13   3.334  -6.397  10.848
   90   1HD2  ASN  13          1HD2      ASN  13   2.500  -4.686  12.329
   91   2HD2  ASN  13          2HD2      ASN  13   0.841  -4.610  12.680
   92    H    GLU  14           HN       GLU  14   4.387  -3.933   7.524
   93    HA   GLU  14           HA       GLU  14   6.714  -3.936   9.420
   94   1HB   GLU  14           HB2      GLU  14   6.911  -5.547   7.547
   95   2HB   GLU  14           HB1      GLU  14   6.668  -4.230   6.398
   96   1HG   GLU  14           HG2      GLU  14   8.981  -4.271   6.447
   97   2HG   GLU  14           HG1      GLU  14   8.675  -3.138   7.767
   98    H    GLU  15           HN       GLU  15   7.676  -1.959   9.725
   99    HA   GLU  15           HA       GLU  15   6.446   0.470   8.898
  100   1HB   GLU  15           HB2      GLU  15   8.728  -0.485  10.407
  101   2HB   GLU  15           HB1      GLU  15   9.172   0.940   9.469
  102   1HG   GLU  15           HG2      GLU  15   7.079   2.056  10.373
  103   2HG   GLU  15           HG1      GLU  15   6.920   0.686  11.475
  104    H    LEU  16           HN       LEU  16   6.733   1.768   7.139
  105    HA   LEU  16           HA       LEU  16   8.841   0.967   5.167
  106   1HB   LEU  16           HB2      LEU  16   7.149   1.886   3.475
  107   2HB   LEU  16           HB1      LEU  16   6.698   0.385   4.271
  108    HG   LEU  16           HG       LEU  16   5.809   3.037   5.390
  109   1HD1  LEU  16          2HD1      LEU  16   5.146   2.008   2.828
  110   2HD1  LEU  16          1HD1      LEU  16   3.751   1.737   3.873
  111   3HD1  LEU  16          3HD1      LEU  16   4.398   3.366   3.671
  112   1HD2  LEU  16          2HD2      LEU  16   5.533   0.396   6.243
  113   2HD2  LEU  16          1HD2      LEU  16   4.538   1.756   6.768
  114   3HD2  LEU  16          3HD2      LEU  16   4.001   0.734   5.436
  115    H    GLY  17           HN       GLY  17   7.096   3.564   6.771
  116   1HA   GLY  17           HA1      GLY  17   9.385   5.332   6.521
  117   2HA   GLY  17           HA2      GLY  17   7.873   5.708   7.334
  118    H    ASN  18           HN       ASN  18   7.972   4.707   3.928
  119    HA   ASN  18           HA       ASN  18   6.357   6.820   2.994
  120   1HB   ASN  18           HB2      ASN  18   9.008   7.623   3.779
  121   2HB   ASN  18           HB1      ASN  18   8.830   7.856   2.039
  122   1HD2  ASN  18          1HD2      ASN  18   6.374   8.778   1.573
  123   2HD2  ASN  18          2HD2      ASN  18   5.984  10.132   2.519
  124    H    GLU  19           HN       GLU  19   6.966   4.056   2.300
  125    HA   GLU  19           HA       GLU  19   8.570   3.774  -0.036
  126   1HB   GLU  19           HB2      GLU  19   6.834   2.253   1.565
  127   2HB   GLU  19           HB1      GLU  19   6.132   2.180  -0.052
  128   1HG   GLU  19           HG2      GLU  19   9.001   1.517   0.677
  129   2HG   GLU  19           HG1      GLU  19   7.746   0.358   0.239
  130    H    ARG  20           HN       ARG  20   8.291   5.245  -1.730
  131    HA   ARG  20           HA       ARG  20   5.825   6.501  -2.439
  132   1HB   ARG  20           HB2      ARG  20   8.272   7.066  -3.021
  133   2HB   ARG  20           HB1      ARG  20   8.118   5.871  -4.309
  134   1HG   ARG  20           HG2      ARG  20   7.512   7.845  -5.406
  135   2HG   ARG  20           HG1      ARG  20   5.944   7.198  -4.922
  136   1HD   ARG  20           HD2      ARG  20   5.553   8.941  -3.510
  137   2HD   ARG  20           HD1      ARG  20   7.198   8.868  -2.845
  138    HE   ARG  20           HE       ARG  20   6.410  10.326  -5.319
  139   1HH1  ARG  20          1HH1      ARG  20   9.029   9.520  -5.991
  140   2HH1  ARG  20          2HH1      ARG  20  10.080  10.617  -5.159
  141   1HH2  ARG  20          1HH2      ARG  20   7.640  11.691  -2.942
  142   2HH2  ARG  20          2HH2      ARG  20   9.294  11.845  -3.434
  143    H    PHE  21           HN       PHE  21   4.157   4.959  -2.670
  144    HA   PHE  21           HA       PHE  21   4.213   3.418  -5.204
  145   1HB   PHE  21           HB2      PHE  21   5.094   1.832  -3.652
  146   2HB   PHE  21           HB1      PHE  21   3.957   2.320  -2.397
  147    HD1  PHE  21           HD1      PHE  21   2.730   2.050  -5.824
  148    HD2  PHE  21           HD2      PHE  21   3.294  -0.063  -2.131
  149    HE1  PHE  21           HE1      PHE  21   1.140   0.305  -6.580
  150    HE2  PHE  21           HE2      PHE  21   1.709  -1.805  -2.882
  151    HZ   PHE  21           HZ       PHE  21   0.629  -1.626  -5.108
  152    H    ARG  22           HN       ARG  22   2.471   4.685  -5.993
  153    HA   ARG  22           HA       ARG  22   0.137   5.332  -4.391
  154   1HB   ARG  22           HB2      ARG  22   1.260   5.822  -7.027
  155   2HB   ARG  22           HB1      ARG  22  -0.471   5.497  -7.138
  156   1HG   ARG  22           HG2      ARG  22  -0.614   7.735  -6.660
  157   2HG   ARG  22           HG1      ARG  22  -0.470   7.150  -5.002
  158   1HD   ARG  22           HD2      ARG  22   1.787   7.772  -4.839
  159   2HD   ARG  22           HD1      ARG  22   2.015   7.763  -6.599
  160    HE   ARG  22           HE       ARG  22   0.252   9.780  -5.258
  161   1HH1  ARG  22          1HH1      ARG  22   1.037   9.104  -8.310
  162   2HH1  ARG  22          2HH1      ARG  22   1.933  10.546  -8.656
  163   1HH2  ARG  22          1HH2      ARG  22   2.127  11.540  -5.341
  164   2HH2  ARG  22          2HH2      ARG  22   2.549  11.924  -6.976
  165    H    ALA  23           HN       ALA  23  -0.946   3.492  -3.633
  166    HA   ALA  23           HA       ALA  23  -1.899   1.565  -5.727
  167   1HB   ALA  23           HB2      ALA  23  -1.430   0.965  -2.803
  168   2HB   ALA  23           HB3      ALA  23  -0.141   0.827  -3.999
  169   3HB   ALA  23           HB1      ALA  23  -1.582  -0.182  -4.134
  170    H    CYS  24           HN       CYS  24  -2.829   3.957  -3.578
  171    HA   CYS  24           HA       CYS  24  -5.609   3.654  -3.979
  172   1HB   CYS  24           HB2      CYS  24  -5.747   1.670  -2.809
  173   2HB   CYS  24           HB1      CYS  24  -4.370   2.050  -1.786
  174    H    GLY  25           HN       GLY  25  -6.872   5.039  -2.426
  175   1HA   GLY  25           HA1      GLY  25  -6.426   7.570  -2.112
  176   2HA   GLY  25           HA2      GLY  25  -5.147   7.034  -1.020
  177    H    CYS  26           HN       CYS  26  -6.256   5.064   0.434
  178    HA   CYS  26           HA       CYS  26  -8.968   5.693   1.330
  179   1HB   CYS  26           HB2      CYS  26  -6.821   3.716   1.809
  180   2HB   CYS  26           HB1      CYS  26  -7.853   4.033   3.203
  181    H    THR  27           HN       THR  27  -8.681   5.460   4.111
  182    HA   THR  27           HA       THR  27  -7.083   7.896   4.830
  183    HB   THR  27           HB       THR  27  -8.962   8.632   6.147
  184    HG1  THR  27           HG1      THR  27 -10.881   7.173   6.052
  185   1HG2  THR  27          2HG2      THR  27  -9.092   8.901   3.631
  186   2HG2  THR  27          1HG2      THR  27 -10.139   7.483   3.607
  187   3HG2  THR  27          3HG2      THR  27 -10.647   8.939   4.461
  188    H    GLY  28           HN       GLY  28  -6.508   4.943   5.103
  189   1HA   GLY  28           HA1      GLY  28  -6.803   3.604   7.374
  190   2HA   GLY  28           HA2      GLY  28  -5.947   5.005   8.017
  191    H    GLU  29           HN       GLU  29  -4.939   2.346   8.111
  192    HA   GLU  29           HA       GLU  29  -2.258   2.591   7.451
  193   1HB   GLU  29           HB2      GLU  29  -2.209   0.173   7.688
  194   2HB   GLU  29           HB1      GLU  29  -3.430   0.806   8.791
  195   1HG   GLU  29           HG2      GLU  29  -4.199  -0.059   6.005
  196   2HG   GLU  29           HG1      GLU  29  -4.042  -1.245   7.298
  197    H    LEU  30           HN       LEU  30  -4.905   1.817   5.264
  198    HA   LEU  30           HA       LEU  30  -3.414   0.623   3.156
  199   1HB   LEU  30           HB2      LEU  30  -6.018   1.209   3.691
  200   2HB   LEU  30           HB1      LEU  30  -5.664   2.412   2.450
  201    HG   LEU  30           HG       LEU  30  -6.462   0.336   1.401
  202   1HD1  LEU  30          1HD1      LEU  30  -4.604   1.757   0.383
  203   2HD1  LEU  30          3HD1      LEU  30  -3.473   0.552   0.999
  204   3HD1  LEU  30          2HD1      LEU  30  -4.690   0.091  -0.193
  205   1HD2  LEU  30          1HD2      LEU  30  -4.603  -0.824   3.351
  206   2HD2  LEU  30          3HD2      LEU  30  -5.952  -1.583   2.502
  207   3HD2  LEU  30          2HD2      LEU  30  -4.370  -1.473   1.724
  208    H    GLU  31           HN       GLU  31  -3.275   3.821   4.354
  209    HA   GLU  31           HA       GLU  31  -2.683   5.219   1.884
  210   1HB   GLU  31           HB2      GLU  31  -2.166   5.704   4.831
  211   2HB   GLU  31           HB1      GLU  31  -1.705   6.871   3.591
  212   1HG   GLU  31           HG2      GLU  31  -4.335   6.190   2.945
  213   2HG   GLU  31           HG1      GLU  31  -4.338   6.314   4.704
  214    H    ASN  32           HN       ASN  32  -0.624   3.825   4.476
  215    HA   ASN  32           HA       ASN  32   1.744   4.119   2.674
  216   1HB   ASN  32           HB2      ASN  32   1.396   3.542   5.634
  217   2HB   ASN  32           HB1      ASN  32   2.954   3.677   4.825
  218   1HD2  ASN  32          1HD2      ASN  32   0.977   5.439   6.741
  219   2HD2  ASN  32          2HD2      ASN  32   1.298   7.003   6.165
  220    H    VAL  33           HN       VAL  33   2.274   2.253   1.558
  221    HA   VAL  33           HA       VAL  33   2.075  -0.330   2.995
  222    HB   VAL  33           HB       VAL  33  -0.082  -0.214   2.009
  223   1HG1  VAL  33          1HG1      VAL  33   1.377   0.882  -0.399
  224   2HG1  VAL  33          3HG1      VAL  33  -0.288   0.303  -0.483
  225   3HG1  VAL  33          2HG1      VAL  33   0.121   1.667   0.558
  226   1HG2  VAL  33          1HG2      VAL  33   1.256  -2.303   1.567
  227   2HG2  VAL  33          3HG2      VAL  33  -0.038  -2.014   0.403
  228   3HG2  VAL  33          2HG2      VAL  33   1.635  -1.649  -0.026
  229    H    HIS  34           HN       HIS  34   3.657  -1.742   2.374
  230    HA   HIS  34           HA       HIS  34   5.871  -0.888   0.760
  231   1HB   HIS  34           HB2      HIS  34   4.857  -3.430   1.977
  232   2HB   HIS  34           HB1      HIS  34   6.293  -3.471   0.959
  233    HD2  HIS  34           HD2      HIS  34   7.934  -0.884   2.034
  234    HE1  HIS  34           HE1      HIS  34   7.269  -2.416   5.920
  235    HE2  HIS  34           HE2      HIS  34   8.638  -0.827   4.526
  236    H    ARG  35           HN       ARG  35   6.116  -1.021  -1.453
  237    HA   ARG  35           HA       ARG  35   3.998  -1.998  -3.167
  238   1HB   ARG  35           HB2      ARG  35   5.486  -0.173  -3.794
  239   2HB   ARG  35           HB1      ARG  35   6.896  -1.218  -3.616
  240   1HG   ARG  35           HG2      ARG  35   6.538  -2.268  -5.614
  241   2HG   ARG  35           HG1      ARG  35   4.782  -2.207  -5.444
  242   1HD   ARG  35           HD2      ARG  35   5.077  -0.644  -7.145
  243   2HD   ARG  35           HD1      ARG  35   5.222   0.417  -5.730
  244    HE   ARG  35           HE       ARG  35   7.584  -0.792  -7.122
  245   1HH1  ARG  35          1HH1      ARG  35   7.281   0.640  -4.265
  246   2HH1  ARG  35          2HH1      ARG  35   8.100   2.119  -4.638
  247   1HH2  ARG  35          1HH2      ARG  35   8.102   1.564  -8.060
  248   2HH2  ARG  35          2HH2      ARG  35   8.564   2.643  -6.787
  249    H    SER  36           HN       SER  36   6.710  -3.450  -1.617
  250    HA   SER  36           HA       SER  36   7.189  -5.629  -3.453
  251   1HB   SER  36           HB2      SER  36   7.684  -5.648  -0.479
  252   2HB   SER  36           HB1      SER  36   8.660  -6.367  -1.757
  253    HG   SER  36           HG       SER  36   8.913  -3.981  -0.676
  254    H    CYS  37           HN       CYS  37   5.651  -5.725  -0.192
  255    HA   CYS  37           HA       CYS  37   4.506  -8.347  -0.787
  256   1HB   CYS  37           HB2      CYS  37   3.415  -7.948   1.497
  257   2HB   CYS  37           HB1      CYS  37   5.170  -7.974   1.455
  258    HG   CYS  37           HG       CYS  37   5.227  -5.441   1.800
  259    H    LEU  38           HN       LEU  38   3.343  -5.039  -1.096
  260    HA   LEU  38           HA       LEU  38   0.519  -5.817  -1.099
  261   1HB   LEU  38           HB2      LEU  38   1.057  -3.565  -0.518
  262   2HB   LEU  38           HB1      LEU  38   2.081  -3.364  -1.940
  263    HG   LEU  38           HG       LEU  38   0.211  -3.321  -3.414
  264   1HD1  LEU  38          3HD1      LEU  38  -0.958  -5.247  -2.282
  265   2HD1  LEU  38          2HD1      LEU  38  -1.574  -4.101  -1.093
  266   3HD1  LEU  38          1HD1      LEU  38  -2.035  -3.948  -2.788
  267   1HD2  LEU  38          1HD2      LEU  38   0.492  -1.406  -1.527
  268   2HD2  LEU  38          3HD2      LEU  38  -0.746  -1.336  -2.782
  269   3HD2  LEU  38          2HD2      LEU  38  -1.155  -1.928  -1.171
  270    H    SER  39           HN       SER  39   2.689  -4.635  -3.698
  271    HA   SER  39           HA       SER  39   1.036  -5.214  -5.897
  272   1HB   SER  39           HB2      SER  39   2.981  -4.787  -7.113
  273   2HB   SER  39           HB1      SER  39   3.410  -4.082  -5.556
  274    HG   SER  39           HG       SER  39   4.943  -5.503  -5.452
  275    H    THR  40           HN       THR  40   3.145  -7.363  -4.019
  276    HA   THR  40           HA       THR  40   2.745  -9.631  -5.844
  277    HB   THR  40           HB       THR  40   4.771  -9.018  -4.319
  278    HG1  THR  40           HG1      THR  40   5.193 -10.933  -5.019
  279   1HG2  THR  40          3HG2      THR  40   3.406  -8.770  -2.256
  280   2HG2  THR  40          2HG2      THR  40   3.017 -10.488  -2.331
  281   3HG2  THR  40          1HG2      THR  40   4.683  -9.970  -2.069
  282    H    TRP  41           HN       TRP  41   1.569  -8.617  -2.627
  283    HA   TRP  41           HA       TRP  41   0.068 -10.914  -1.939
  284   1HB   TRP  41           HB2      TRP  41   0.332  -9.219  -0.320
  285   2HB   TRP  41           HB1      TRP  41  -0.159  -7.946  -1.433
  286    HD1  TRP  41           HD1      TRP  41  -1.645 -10.928   0.505
  287    HE1  TRP  41           HE1      TRP  41  -4.134 -10.444   0.965
  288    HE3  TRP  41           HE3      TRP  41  -2.199  -6.559  -2.087
  289    HZ2  TRP  41           HZ2      TRP  41  -6.099  -8.465   0.328
  290    HZ3  TRP  41           HZ3      TRP  41  -4.384  -5.391  -2.133
  291    HH2  TRP  41           HH2      TRP  41  -6.336  -6.341  -0.936
  292    H    LEU  42           HN       LEU  42  -1.157  -7.947  -3.559
  293    HA   LEU  42           HA       LEU  42  -3.712  -8.969  -4.258
  294   1HB   LEU  42           HB2      LEU  42  -3.567  -7.175  -6.039
  295   2HB   LEU  42           HB1      LEU  42  -3.156  -6.615  -4.420
  296    HG   LEU  42           HG       LEU  42  -0.701  -7.313  -5.183
  297   1HD1  LEU  42          3HD1      LEU  42  -2.286  -7.445  -7.618
  298   2HD1  LEU  42          2HD1      LEU  42  -0.979  -6.267  -7.753
  299   3HD1  LEU  42          1HD1      LEU  42  -0.617  -7.942  -7.341
  300   1HD2  LEU  42          1HD2      LEU  42  -2.308  -4.866  -5.347
  301   2HD2  LEU  42          3HD2      LEU  42  -0.680  -5.095  -4.709
  302   3HD2  LEU  42          2HD2      LEU  42  -0.922  -4.852  -6.438
  303    H    THR  43           HN       THR  43  -0.562  -9.281  -5.841
  304    HA   THR  43           HA       THR  43  -1.467 -10.438  -8.309
  305    HB   THR  43           HB       THR  43   1.080 -10.488  -6.680
  306    HG1  THR  43           HG1      THR  43   0.886  -9.494  -9.261
  307   1HG2  THR  43          2HG2      THR  43   0.319 -12.163  -8.987
  308   2HG2  THR  43          1HG2      THR  43   1.852 -11.309  -9.170
  309   3HG2  THR  43          3HG2      THR  43   1.604 -12.394  -7.801
  310    H    ILE  44           HN       ILE  44  -0.655 -11.796  -5.135
  311    HA   ILE  44           HA       ILE  44  -0.981 -14.575  -6.003
  312    HB   ILE  44           HB       ILE  44  -0.662 -13.145  -3.348
  313   1HG1  ILE  44          2HG1      ILE  44   1.258 -15.107  -4.568
  314   2HG1  ILE  44          1HG1      ILE  44   1.213 -13.454  -5.183
  315   1HG2  ILE  44          2HG2      ILE  44  -1.744 -15.725  -3.785
  316   2HG2  ILE  44          1HG2      ILE  44  -0.084 -15.969  -3.241
  317   3HG2  ILE  44          3HG2      ILE  44  -1.208 -15.035  -2.253
  318   1HD1  ILE  44          1HD1      ILE  44   1.255 -13.725  -2.230
  319   2HD1  ILE  44          3HD1      ILE  44   2.732 -14.207  -3.065
  320   3HD1  ILE  44          2HD1      ILE  44   2.097 -12.574  -3.267
  321    H    SER  45           HN       SER  45  -2.905 -12.137  -4.265
  322    HA   SER  45           HA       SER  45  -5.138 -14.014  -3.838
  323   1HB   SER  45           HB2      SER  45  -4.906 -12.468  -2.102
  324   2HB   SER  45           HB1      SER  45  -4.437 -11.166  -3.192
  325    HG   SER  45           HG       SER  45  -7.010 -12.298  -2.799
  326    H    ARG  46           HN       ARG  46  -4.013 -12.190  -6.427
  327    HA   ARG  46           HA       ARG  46  -4.997 -11.742  -8.530
  328   1HB   ARG  46           HB2      ARG  46  -6.455 -13.823  -7.339
  329   2HB   ARG  46           HB1      ARG  46  -7.677 -12.673  -7.885
  330   1HG   ARG  46           HG2      ARG  46  -5.611 -12.959  -9.889
  331   2HG   ARG  46           HG1      ARG  46  -6.277 -14.538  -9.469
  332   1HD   ARG  46           HD2      ARG  46  -8.263 -12.347  -9.827
  333   2HD   ARG  46           HD1      ARG  46  -7.452 -12.929 -11.295
  334    HE   ARG  46           HE       ARG  46  -8.524 -14.969  -9.423
  335   1HH1  ARG  46          1HH1      ARG  46  -7.707 -15.795 -12.116
  336   2HH1  ARG  46          2HH1      ARG  46  -9.194 -15.790 -13.005
  337   1HH2  ARG  46          1HH2      ARG  46 -10.881 -13.849 -10.679
  338   2HH2  ARG  46          2HH2      ARG  46 -10.991 -14.688 -12.191
  339    H    ASN  47           HN       ASN  47  -4.802  -9.495  -7.345
  340    HA   ASN  47           HA       ASN  47  -7.493  -8.204  -7.483
  341   1HB   ASN  47           HB2      ASN  47  -5.508  -8.295  -5.231
  342   2HB   ASN  47           HB1      ASN  47  -6.483  -6.840  -5.443
  343   1HD2  ASN  47          1HD2      ASN  47  -6.554  -9.255  -3.429
  344   2HD2  ASN  47          2HD2      ASN  47  -8.197  -9.679  -3.409
  345    H    THR  48           HN       THR  48  -7.371  -6.012  -8.238
  346    HA   THR  48           HA       THR  48  -4.636  -5.134  -9.110
  347    HB   THR  48           HB       THR  48  -5.696  -4.379 -11.181
  348    HG1  THR  48           HG1      THR  48  -8.016  -5.170 -11.319
  349   1HG2  THR  48          2HG2      THR  48  -5.917  -7.165 -10.230
  350   2HG2  THR  48          1HG2      THR  48  -6.906  -6.786 -11.640
  351   3HG2  THR  48          3HG2      THR  48  -5.162  -6.530 -11.692
  352    H    ALA  49           HN       ALA  49  -7.509  -4.316  -7.412
  353    HA   ALA  49           HA       ALA  49  -6.490  -1.539  -7.075
  354   1HB   ALA  49           HB1      ALA  49  -8.449  -2.156  -8.898
  355   2HB   ALA  49           HB3      ALA  49  -9.405  -1.754  -7.472
  356   3HB   ALA  49           HB2      ALA  49  -8.267  -0.579  -8.131
  357    H    CYS  50           HN       CYS  50  -7.338  -0.505  -5.165
  358    HA   CYS  50           HA       CYS  50  -7.744  -2.225  -2.897
  359   1HB   CYS  50           HB2      CYS  50  -6.750   0.019  -2.799
  360   2HB   CYS  50           HB1      CYS  50  -8.259   0.735  -3.364
  361    HG   CYS  50           HG       CYS  50  -7.791   0.511  -0.572
  362    H    GLN  51           HN       GLN  51  -9.613  -3.315  -2.433
  363    HA   GLN  51           HA       GLN  51 -12.134  -2.747  -3.758
  364   1HB   GLN  51           HB2      GLN  51 -12.882  -4.657  -2.448
  365   2HB   GLN  51           HB1      GLN  51 -11.244  -4.981  -3.018
  366   1HG   GLN  51           HG2      GLN  51 -10.769  -3.681  -0.642
  367   2HG   GLN  51           HG1      GLN  51 -12.229  -4.598  -0.270
  368   1HE2  GLN  51          1HE2      GLN  51  -9.929  -5.400   1.039
  369   2HE2  GLN  51          2HE2      GLN  51  -9.352  -6.858   0.389
  370    H    ILE  52           HN       ILE  52 -10.641  -1.160  -1.224
  371    HA   ILE  52           HA       ILE  52 -13.037  -0.754   0.445
  372    HB   ILE  52           HB       ILE  52 -10.309   0.572   0.465
  373   1HG1  ILE  52          2HG1      ILE  52 -11.322  -1.857   1.981
  374   2HG1  ILE  52          1HG1      ILE  52 -10.164  -1.898   0.650
  375   1HG2  ILE  52          3HG2      ILE  52 -12.592   0.410   2.439
  376   2HG2  ILE  52          2HG2      ILE  52 -10.948   0.804   2.942
  377   3HG2  ILE  52          1HG2      ILE  52 -11.800   1.853   1.807
  378   1HD1  ILE  52          3HD1      ILE  52  -9.238   0.035   2.527
  379   2HD1  ILE  52          2HD1      ILE  52  -9.655  -1.423   3.428
  380   3HD1  ILE  52          1HD1      ILE  52  -8.495  -1.507   2.103
  381    H    CYS  53           HN       CYS  53 -10.898   1.380  -1.499
  382    HA   CYS  53           HA       CYS  53 -13.130   3.366  -1.634
  383   1HB   CYS  53           HB2      CYS  53 -11.272   4.892  -2.301
  384   2HB   CYS  53           HB1      CYS  53 -10.962   4.110  -0.751
  385    HG   CYS  53           HG       CYS  53  -8.810   3.806  -2.192
  386    H    GLY  54           HN       GLY  54 -11.366   1.069  -3.529
  387   1HA   GLY  54           HA1      GLY  54 -12.935   1.849  -5.908
  388   2HA   GLY  54           HA2      GLY  54 -12.023   0.353  -5.717
  389    H    VAL  55           HN       VAL  55  -9.553   1.712  -4.848
  390    HA   VAL  55           HA       VAL  55  -8.831   3.274  -7.295
  391    HB   VAL  55           HB       VAL  55  -7.479   2.891  -4.604
  392   1HG1  VAL  55          1HG1      VAL  55  -6.757   4.500  -7.059
  393   2HG1  VAL  55          3HG1      VAL  55  -6.157   4.930  -5.457
  394   3HG1  VAL  55          2HG1      VAL  55  -5.747   3.366  -6.161
  395   1HG2  VAL  55          3HG2      VAL  55  -9.698   4.257  -4.891
  396   2HG2  VAL  55          2HG2      VAL  55  -8.359   4.975  -3.994
  397   3HG2  VAL  55          1HG2      VAL  55  -8.654   5.448  -5.667
  398    H    VAL  56           HN       VAL  56  -6.975   2.624  -8.532
  399    HA   VAL  56           HA       VAL  56  -6.464  -0.271  -8.514
  400    HB   VAL  56           HB       VAL  56  -5.187   1.879 -10.216
  401   1HG1  VAL  56          1HG1      VAL  56  -5.402  -1.052 -10.227
  402   2HG1  VAL  56          3HG1      VAL  56  -5.803  -0.308 -11.775
  403   3HG1  VAL  56          2HG1      VAL  56  -4.230  -0.010 -11.034
  404   1HG2  VAL  56          2HG2      VAL  56  -7.990   1.205  -9.954
  405   2HG2  VAL  56          1HG2      VAL  56  -7.240   2.428 -10.980
  406   3HG2  VAL  56          3HG2      VAL  56  -7.411   0.771 -11.562
  407    H    TYR  57           HN       TYR  57  -4.504  -1.251  -7.943
  408    HA   TYR  57           HA       TYR  57  -2.801   0.030  -6.038
  409   1HB   TYR  57           HB2      TYR  57  -2.392  -2.414  -7.783
  410   2HB   TYR  57           HB1      TYR  57  -1.462  -2.038  -6.333
  411    HD1  TYR  57           HD1      TYR  57  -3.408  -1.003  -4.481
  412    HD2  TYR  57           HD2      TYR  57  -3.791  -4.227  -7.283
  413    HE1  TYR  57           HE1      TYR  57  -5.179  -2.003  -3.077
  414    HE2  TYR  57           HE2      TYR  57  -5.565  -5.240  -5.877
  415    HH   TYR  57           HH       TYR  57  -6.130  -5.060  -3.219
  416    H    ASN  58           HN       ASN  58  -2.485  -0.485  -9.528
  417    HA   ASN  58           HA       ASN  58  -0.821   0.286 -11.044
  418   1HB   ASN  58           HB2      ASN  58  -2.224   2.266 -10.199
  419   2HB   ASN  58           HB1      ASN  58  -0.857   2.648  -9.152
  420   1HD2  ASN  58          1HD2      ASN  58  -0.925   4.702 -10.625
  421   2HD2  ASN  58          2HD2      ASN  58  -0.020   4.636 -12.060
  422    H    THR  59           HN       THR  59   0.952  -1.143 -10.501
  423    HA   THR  59           HA       THR  59   2.813  -0.281  -8.355
  424    HB   THR  59           HB       THR  59   3.849  -2.470  -8.830
  425    HG1  THR  59           HG1      THR  59   2.982  -2.128 -11.187
  426   1HG2  THR  59          3HG2      THR  59   0.896  -2.225  -8.430
  427   2HG2  THR  59          2HG2      THR  59   1.583  -3.836  -8.638
  428   3HG2  THR  59          1HG2      THR  59   2.134  -2.806  -7.316
  429    H    ARG  60           HN       ARG  60   4.662   0.851  -8.817
  430    HA   ARG  60           HA       ARG  60   5.352   1.315 -11.681
  431   1HB   ARG  60           HB2      ARG  60   6.197   2.664  -9.094
  432   2HB   ARG  60           HB1      ARG  60   6.615   3.222 -10.715
  433   1HG   ARG  60           HG2      ARG  60   3.946   3.039 -11.010
  434   2HG   ARG  60           HG1      ARG  60   4.012   3.361  -9.277
  435   1HD   ARG  60           HD2      ARG  60   3.996   5.543 -10.123
  436   2HD   ARG  60           HD1      ARG  60   5.744   5.243 -10.047
  437    HE   ARG  60           HE       ARG  60   4.896   4.221 -12.523
  438   1HH1  ARG  60          1HH1      ARG  60   3.308   6.905 -11.712
  439   2HH1  ARG  60          2HH1      ARG  60   4.138   8.004 -12.763
  440   1HH2  ARG  60          1HH2      ARG  60   6.683   5.775 -13.520
  441   2HH2  ARG  60          2HH2      ARG  60   6.049   7.364 -13.786

  No H/Q in entry =         441
  Start of MODEL    5
    1    H1   MET   1           HT3      MET   1 -16.495   5.783   1.125
    2    H2   MET   1           HT2      MET   1 -15.124   5.776   2.128
    3    H3   MET   1           HT1      MET   1 -15.677   7.233   1.452
    4    HA   MET   1           HA       MET   1 -14.979   6.647  -0.704
    5   1HB   MET   1           HB2      MET   1 -12.628   6.431  -0.280
    6   2HB   MET   1           HB1      MET   1 -13.296   7.255   1.129
    7   1HG   MET   1           HG2      MET   1 -13.549   4.495   1.662
    8   2HG   MET   1           HG1      MET   1 -11.931   4.710   0.997
    9   1HE   MET   1           HE2      MET   1 -13.555   4.068   3.787
   10   2HE   MET   1           HE1      MET   1 -13.080   5.099   5.135
   11   3HE   MET   1           HE3      MET   1 -14.370   5.610   4.038
   12    H    GLU   2           HN       GLU   2 -15.837   4.020   1.252
   13    HA   GLU   2           HA       GLU   2 -14.670   1.948  -0.516
   14   1HB   GLU   2           HB2      GLU   2 -14.655   1.602   1.886
   15   2HB   GLU   2           HB1      GLU   2 -16.388   1.922   1.984
   16   1HG   GLU   2           HG2      GLU   2 -15.547  -0.233   0.116
   17   2HG   GLU   2           HG1      GLU   2 -15.378  -0.576   1.838
   18    H    ASP   3           HN       ASP   3 -17.533   3.815  -0.301
   19    HA   ASP   3           HA       ASP   3 -19.423   1.865  -1.320
   20   1HB   ASP   3           HB2      ASP   3 -19.416   4.899  -1.380
   21   2HB   ASP   3           HB1      ASP   3 -20.832   3.865  -1.575
   22    H    GLU   4           HN       GLU   4 -17.292   4.280  -2.798
   23    HA   GLU   4           HA       GLU   4 -17.565   2.926  -5.406
   24   1HB   GLU   4           HB2      GLU   4 -18.558   5.724  -4.806
   25   2HB   GLU   4           HB1      GLU   4 -18.248   5.157  -6.447
   26   1HG   GLU   4           HG2      GLU   4 -19.788   3.183  -5.890
   27   2HG   GLU   4           HG1      GLU   4 -20.273   4.104  -4.466
   28    H    ASP   5           HN       ASP   5 -16.281   5.730  -3.609
   29    HA   ASP   5           HA       ASP   5 -14.148   6.311  -5.466
   30   1HB   ASP   5           HB2      ASP   5 -15.255   7.273  -3.009
   31   2HB   ASP   5           HB1      ASP   5 -13.517   7.078  -2.779
   32    H    VAL   6           HN       VAL   6 -13.318   4.085  -5.805
   33    HA   VAL   6           HA       VAL   6 -11.860   2.856  -3.537
   34    HB   VAL   6           HB       VAL   6 -12.144   2.041  -6.444
   35   1HG1  VAL   6          2HG1      VAL   6 -10.729   0.954  -4.215
   36   2HG1  VAL   6          1HG1      VAL   6 -12.076  -0.124  -4.578
   37   3HG1  VAL   6          3HG1      VAL   6 -10.902   0.268  -5.828
   38   1HG2  VAL   6          3HG2      VAL   6 -14.101   2.147  -4.292
   39   2HG2  VAL   6          2HG2      VAL   6 -14.340   1.762  -5.997
   40   3HG2  VAL   6          1HG2      VAL   6 -13.864   0.496  -4.865
   41    HA   PRO   7           HA       PRO   7  -8.256   5.101  -4.946
   42   1HB   PRO   7           HB2      PRO   7  -6.511   4.067  -3.132
   43   2HB   PRO   7           HB1      PRO   7  -7.692   5.322  -2.709
   44   1HG   PRO   7           HG2      PRO   7  -7.820   2.381  -2.279
   45   2HG   PRO   7           HG1      PRO   7  -8.271   3.695  -1.179
   46   1HD   PRO   7           HD2      PRO   7 -10.101   2.290  -2.600
   47   2HD   PRO   7           HD1      PRO   7 -10.326   4.007  -2.188
   48    H    VAL   8           HN       VAL   8  -6.413   4.533  -6.163
   49    HA   VAL   8           HA       VAL   8  -6.323   1.726  -7.097
   50    HB   VAL   8           HB       VAL   8  -4.807   3.982  -8.327
   51   1HG1  VAL   8          3HG1      VAL   8  -6.214   1.463  -9.254
   52   2HG1  VAL   8          2HG1      VAL   8  -5.575   2.670 -10.375
   53   3HG1  VAL   8          1HG1      VAL   8  -4.483   1.805  -9.294
   54   1HG2  VAL   8          1HG2      VAL   8  -7.112   4.831  -7.870
   55   2HG2  VAL   8          3HG2      VAL   8  -6.817   4.610  -9.595
   56   3HG2  VAL   8          2HG2      VAL   8  -7.769   3.423  -8.703
   57    H    CYS   9           HN       CYS   9  -4.616   0.390  -6.624
   58    HA   CYS   9           HA       CYS   9  -2.539   1.200  -4.802
   59   1HB   CYS   9           HB2      CYS   9  -3.099  -1.075  -4.794
   60   2HB   CYS   9           HB1      CYS   9  -3.168  -1.170  -6.547
   61    H    TRP  10           HN       TRP  10  -0.957   2.584  -5.369
   62    HA   TRP  10           HA       TRP  10  -0.264   3.387  -8.007
   63   1HB   TRP  10           HB2      TRP  10   1.596   4.497  -6.817
   64   2HB   TRP  10           HB1      TRP  10   0.085   4.655  -5.919
   65    HD1  TRP  10           HD1      TRP  10  -0.212   3.184  -3.708
   66    HE1  TRP  10           HE1      TRP  10   1.516   2.028  -2.179
   67    HE3  TRP  10           HE3      TRP  10   3.890   3.289  -6.757
   68    HZ2  TRP  10           HZ2      TRP  10   4.272   1.250  -2.241
   69    HZ3  TRP  10           HZ3      TRP  10   6.047   2.336  -5.998
   70    HH2  TRP  10           HH2      TRP  10   6.243   1.317  -3.746
   71    H    ILE  11           HN       ILE  11   0.642   0.490  -6.378
   72    HA   ILE  11           HA       ILE  11   3.273   0.256  -7.657
   73    HB   ILE  11           HB       ILE  11   1.534  -1.702  -6.127
   74   1HG1  ILE  11          2HG1      ILE  11   3.731   0.227  -5.321
   75   2HG1  ILE  11          1HG1      ILE  11   2.067   0.191  -4.736
   76   1HG2  ILE  11          1HG2      ILE  11   4.490  -1.765  -6.811
   77   2HG2  ILE  11          3HG2      ILE  11   3.647  -2.933  -5.793
   78   3HG2  ILE  11          2HG2      ILE  11   3.253  -2.812  -7.508
   79   1HD1  ILE  11          1HD1      ILE  11   2.621  -2.212  -3.940
   80   2HD1  ILE  11          3HD1      ILE  11   4.306  -1.736  -4.147
   81   3HD1  ILE  11          2HD1      ILE  11   3.277  -0.863  -3.012
   82    H    CYS  12           HN       CYS  12   0.265  -1.709  -7.917
   83    HA   CYS  12           HA       CYS  12   1.235  -2.654 -10.576
   84   1HB   CYS  12           HB2      CYS  12  -0.333  -4.476 -10.200
   85   2HB   CYS  12           HB1      CYS  12   0.617  -4.241  -8.733
   86    H    ASN  13           HN       ASN  13  -0.649  -0.168  -9.488
   87    HA   ASN  13           HA       ASN  13  -2.262   1.172 -10.593
   88   1HB   ASN  13           HB2      ASN  13  -0.627   0.327 -12.484
   89   2HB   ASN  13           HB1      ASN  13  -2.001  -0.671 -12.955
   90   1HD2  ASN  13          1HD2      ASN  13  -3.766   1.663 -11.776
   91   2HD2  ASN  13          2HD2      ASN  13  -3.805   2.779 -13.054
   92    H    GLU  14           HN       GLU  14  -3.465  -0.431  -8.897
   93    HA   GLU  14           HA       GLU  14  -5.938  -1.260 -10.249
   94   1HB   GLU  14           HB2      GLU  14  -4.524  -3.233 -10.541
   95   2HB   GLU  14           HB1      GLU  14  -4.105  -3.217  -8.828
   96   1HG   GLU  14           HG2      GLU  14  -5.822  -4.751  -8.752
   97   2HG   GLU  14           HG1      GLU  14  -6.766  -3.272  -8.568
   98    H    GLU  15           HN       GLU  15  -7.410  -0.344  -8.900
   99    HA   GLU  15           HA       GLU  15  -6.824   0.403  -6.200
  100   1HB   GLU  15           HB2      GLU  15  -9.263   0.963  -6.201
  101   2HB   GLU  15           HB1      GLU  15  -8.409   1.594  -7.606
  102   1HG   GLU  15           HG2      GLU  15  -9.137  -0.887  -8.496
  103   2HG   GLU  15           HG1      GLU  15 -10.504  -0.476  -7.458
  104    H    LEU  16           HN       LEU  16  -7.877  -0.239  -4.313
  105    HA   LEU  16           HA       LEU  16  -8.506  -3.166  -4.286
  106   1HB   LEU  16           HB2      LEU  16  -7.862  -2.468  -1.671
  107   2HB   LEU  16           HB1      LEU  16  -6.818  -3.303  -2.803
  108    HG   LEU  16           HG       LEU  16  -5.654  -1.423  -1.762
  109   1HD1  LEU  16          1HD1      LEU  16  -5.914  -1.828  -4.559
  110   2HD1  LEU  16          3HD1      LEU  16  -5.747  -0.095  -4.278
  111   3HD1  LEU  16          2HD1      LEU  16  -4.526  -1.210  -3.663
  112   1HD2  LEU  16          3HD2      LEU  16  -8.100  -0.083  -2.003
  113   2HD2  LEU  16          2HD2      LEU  16  -6.584   0.576  -1.391
  114   3HD2  LEU  16          1HD2      LEU  16  -7.000   0.762  -3.093
  115    H    GLY  17           HN       GLY  17  -9.508   0.011  -3.150
  116   1HA   GLY  17           HA1      GLY  17 -12.231  -0.947  -2.836
  117   2HA   GLY  17           HA2      GLY  17 -11.674   0.693  -2.532
  118    H    ASN  18           HN       ASN  18 -10.188  -2.070  -0.867
  119    HA   ASN  18           HA       ASN  18 -10.867  -0.866   1.705
  120   1HB   ASN  18           HB2      ASN  18 -12.363  -2.736   2.389
  121   2HB   ASN  18           HB1      ASN  18 -13.017  -1.834   1.020
  122   1HD2  ASN  18          1HD2      ASN  18 -14.200  -4.052   0.725
  123   2HD2  ASN  18          2HD2      ASN  18 -13.398  -5.217  -0.213
  124    H    GLU  19           HN       GLU  19  -8.454  -2.006   0.304
  125    HA   GLU  19           HA       GLU  19  -7.813  -4.517   1.658
  126   1HB   GLU  19           HB2      GLU  19  -6.648  -2.642  -0.280
  127   2HB   GLU  19           HB1      GLU  19  -5.447  -3.349   0.801
  128   1HG   GLU  19           HG2      GLU  19  -7.389  -5.321  -0.143
  129   2HG   GLU  19           HG1      GLU  19  -6.498  -4.568  -1.466
  130    H    ARG  20           HN       ARG  20  -7.775  -4.319   3.914
  131    HA   ARG  20           HA       ARG  20  -6.913  -1.974   5.331
  132   1HB   ARG  20           HB2      ARG  20  -7.432  -4.870   5.931
  133   2HB   ARG  20           HB1      ARG  20  -6.712  -3.852   7.178
  134   1HG   ARG  20           HG2      ARG  20  -8.834  -3.243   7.679
  135   2HG   ARG  20           HG1      ARG  20  -8.764  -2.269   6.210
  136   1HD   ARG  20           HD2      ARG  20  -9.562  -4.317   4.930
  137   2HD   ARG  20           HD1      ARG  20  -9.871  -5.079   6.503
  138    HE   ARG  20           HE       ARG  20 -11.050  -2.401   5.901
  139   1HH1  ARG  20          1HH1      ARG  20 -12.006  -5.448   5.214
  140   2HH1  ARG  20          2HH1      ARG  20 -13.373  -5.495   6.276
  141   1HH2  ARG  20          1HH2      ARG  20 -12.513  -2.578   7.943
  142   2HH2  ARG  20          2HH2      ARG  20 -13.660  -3.870   7.822
  143    H    PHE  21           HN       PHE  21  -4.827  -1.337   4.605
  144    HA   PHE  21           HA       PHE  21  -2.603  -2.939   5.725
  145   1HB   PHE  21           HB2      PHE  21  -2.850  -3.811   3.473
  146   2HB   PHE  21           HB1      PHE  21  -2.926  -2.182   2.805
  147    HD1  PHE  21           HD1      PHE  21  -0.628  -2.447   5.559
  148    HD2  PHE  21           HD2      PHE  21  -1.012  -3.106   1.327
  149    HE1  PHE  21           HE1      PHE  21   1.838  -2.414   5.329
  150    HE2  PHE  21           HE2      PHE  21   1.455  -3.077   1.103
  151    HZ   PHE  21           HZ       PHE  21   2.881  -2.728   3.102
  152    H    ARG  22           HN       ARG  22  -1.862  -1.295   7.078
  153    HA   ARG  22           HA       ARG  22  -1.745   1.490   6.092
  154   1HB   ARG  22           HB2      ARG  22  -1.549  -0.005   8.652
  155   2HB   ARG  22           HB1      ARG  22  -0.612   1.488   8.564
  156   1HG   ARG  22           HG2      ARG  22  -2.932   2.355   7.483
  157   2HG   ARG  22           HG1      ARG  22  -3.558   1.099   8.551
  158   1HD   ARG  22           HD2      ARG  22  -3.473   2.766  10.130
  159   2HD   ARG  22           HD1      ARG  22  -1.751   2.344  10.202
  160    HE   ARG  22           HE       ARG  22  -1.263   4.216   8.749
  161   1HH1  ARG  22          1HH1      ARG  22  -4.087   3.832   7.407
  162   2HH1  ARG  22          2HH1      ARG  22  -4.780   5.379   7.763
  163   1HH2  ARG  22          1HH2      ARG  22  -2.375   6.212  10.117
  164   2HH2  ARG  22          2HH2      ARG  22  -3.811   6.725   9.297
  165    H    ALA  23           HN       ALA  23  -0.083   1.253   4.438
  166    HA   ALA  23           HA       ALA  23   2.625   0.488   5.435
  167   1HB   ALA  23           HB3      ALA  23   1.322  -0.439   3.328
  168   2HB   ALA  23           HB2      ALA  23   1.941   1.030   2.572
  169   3HB   ALA  23           HB1      ALA  23   3.061  -0.155   3.247
  170    H    CYS  24           HN       CYS  24   0.817   3.257   5.096
  171    HA   CYS  24           HA       CYS  24   2.967   5.055   5.460
  172   1HB   CYS  24           HB2      CYS  24   3.902   4.646   3.391
  173   2HB   CYS  24           HB1      CYS  24   2.361   4.218   2.659
  174    H    GLY  25           HN       GLY  25   2.300   7.361   5.028
  175   1HA   GLY  25           HA1      GLY  25   0.546   8.807   5.922
  176   2HA   GLY  25           HA2      GLY  25  -0.650   7.633   5.368
  177    H    CYS  26           HN       CYS  26   2.088   9.364   3.822
  178    HA   CYS  26           HA       CYS  26   2.051  10.843   1.958
  179   1HB   CYS  26           HB2      CYS  26   1.013   8.165   1.399
  180   2HB   CYS  26           HB1      CYS  26   0.484   9.352   0.207
  181    H    THR  27           HN       THR  27  -0.015  11.128  -0.020
  182    HA   THR  27           HA       THR  27  -2.085  12.546   1.619
  183    HB   THR  27           HB       THR  27  -1.885  13.259  -1.205
  184    HG1  THR  27           HG1      THR  27   0.194  13.229  -1.350
  185   1HG2  THR  27          3HG2      THR  27  -1.544  14.697   1.435
  186   2HG2  THR  27          2HG2      THR  27  -1.457  15.512  -0.127
  187   3HG2  THR  27          1HG2      THR  27  -2.951  14.720   0.372
  188    H    GLY  28           HN       GLY  28  -1.615   9.967  -0.628
  189   1HA   GLY  28           HA1      GLY  28  -4.212  10.018  -1.882
  190   2HA   GLY  28           HA2      GLY  28  -4.232   8.970  -0.463
  191    H    GLU  29           HN       GLU  29  -2.123   9.586  -3.300
  192    HA   GLU  29           HA       GLU  29  -2.293   7.181  -4.626
  193   1HB   GLU  29           HB2      GLU  29  -0.895   8.786  -5.579
  194   2HB   GLU  29           HB1      GLU  29  -0.079   9.126  -4.054
  195   1HG   GLU  29           HG2      GLU  29   1.108   6.987  -4.174
  196   2HG   GLU  29           HG1      GLU  29   0.240   6.566  -5.652
  197    H    LEU  30           HN       LEU  30   0.242   7.763  -2.154
  198    HA   LEU  30           HA       LEU  30   0.819   4.923  -1.903
  199   1HB   LEU  30           HB2      LEU  30   2.184   7.194  -1.485
  200   2HB   LEU  30           HB1      LEU  30   1.603   6.933   0.160
  201    HG   LEU  30           HG       LEU  30   3.756   5.836  -0.085
  202   1HD1  LEU  30          2HD1      LEU  30   1.642   4.705   1.025
  203   2HD1  LEU  30          1HD1      LEU  30   1.824   3.559  -0.303
  204   3HD1  LEU  30          3HD1      LEU  30   3.143   3.796   0.843
  205   1HD2  LEU  30          3HD2      LEU  30   2.667   5.190  -2.691
  206   2HD2  LEU  30          2HD2      LEU  30   4.336   5.078  -2.129
  207   3HD2  LEU  30          1HD2      LEU  30   3.228   3.727  -1.879
  208    H    GLU  31           HN       GLU  31  -1.375   7.157  -0.372
  209    HA   GLU  31           HA       GLU  31  -1.800   6.040   2.166
  210   1HB   GLU  31           HB2      GLU  31  -2.986   7.896   0.462
  211   2HB   GLU  31           HB1      GLU  31  -4.261   6.705   0.722
  212   1HG   GLU  31           HG2      GLU  31  -2.659   7.804   3.030
  213   2HG   GLU  31           HG1      GLU  31  -4.081   8.651   2.421
  214    H    ASN  32           HN       ASN  32  -3.215   5.011  -0.952
  215    HA   ASN  32           HA       ASN  32  -4.230   2.532   0.382
  216   1HB   ASN  32           HB2      ASN  32  -4.915   3.750  -2.301
  217   2HB   ASN  32           HB1      ASN  32  -5.813   2.499  -1.447
  218   1HD2  ASN  32          1HD2      ASN  32  -5.327   5.937  -1.741
  219   2HD2  ASN  32          2HD2      ASN  32  -6.421   6.403  -0.529
  220    H    VAL  33           HN       VAL  33  -3.039   0.706  -0.050
  221    HA   VAL  33           HA       VAL  33  -1.898   0.366  -2.771
  222    HB   VAL  33           HB       VAL  33  -0.137   1.452  -1.487
  223   1HG1  VAL  33          3HG1      VAL  33  -1.124   0.746   0.747
  224   2HG1  VAL  33          2HG1      VAL  33  -0.366  -0.826   0.493
  225   3HG1  VAL  33          1HG1      VAL  33   0.632   0.623   0.631
  226   1HG2  VAL  33          3HG2      VAL  33   0.233  -0.686  -2.962
  227   2HG2  VAL  33          2HG2      VAL  33   1.560  -0.087  -1.964
  228   3HG2  VAL  33          1HG2      VAL  33   0.596  -1.461  -1.421
  229    H    HIS  34           HN       HIS  34  -1.751  -1.803  -3.358
  230    HA   HIS  34           HA       HIS  34  -3.289  -3.749  -1.859
  231   1HB   HIS  34           HB2      HIS  34  -1.706  -3.510  -4.356
  232   2HB   HIS  34           HB1      HIS  34  -1.967  -5.149  -3.759
  233    HD2  HIS  34           HD2      HIS  34  -5.111  -4.827  -2.761
  234    HE1  HIS  34           HE1      HIS  34  -5.841  -3.420  -6.685
  235    HE2  HIS  34           HE2      HIS  34  -6.885  -4.337  -4.584
  236    H    ARG  35           HN       ARG  35  -2.421  -4.645   0.020
  237    HA   ARG  35           HA       ARG  35   0.332  -4.722   0.725
  238   1HB   ARG  35           HB2      ARG  35  -1.523  -5.015   2.300
  239   2HB   ARG  35           HB1      ARG  35  -1.999  -6.510   1.493
  240   1HG   ARG  35           HG2      ARG  35  -0.546  -7.671   2.758
  241   2HG   ARG  35           HG1      ARG  35   0.784  -6.690   2.139
  242   1HD   ARG  35           HD2      ARG  35   0.627  -5.136   3.917
  243   2HD   ARG  35           HD1      ARG  35  -1.010  -5.668   4.351
  244    HE   ARG  35           HE       ARG  35   1.490  -7.054   5.054
  245   1HH1  ARG  35          1HH1      ARG  35  -1.658  -6.563   5.946
  246   2HH1  ARG  35          2HH1      ARG  35  -1.997  -8.202   6.392
  247   1HH2  ARG  35          1HH2      ARG  35   0.950  -9.454   5.060
  248   2HH2  ARG  35          2HH2      ARG  35  -0.521  -9.838   5.891
  249    H    SER  36           HN       SER  36  -1.428  -6.608  -1.553
  250    HA   SER  36           HA       SER  36   0.176  -9.025  -1.436
  251   1HB   SER  36           HB2      SER  36  -2.172  -8.710  -2.346
  252   2HB   SER  36           HB1      SER  36  -1.451  -7.894  -3.730
  253    HG   SER  36           HG       SER  36  -0.782 -10.509  -2.844
  254    H    CYS  37           HN       CYS  37   0.051  -6.404  -3.893
  255    HA   CYS  37           HA       CYS  37   2.610  -7.297  -5.022
  256   1HB   CYS  37           HB2      CYS  37   2.233  -5.060  -6.363
  257   2HB   CYS  37           HB1      CYS  37   1.228  -6.457  -6.687
  258    HG   CYS  37           HG       CYS  37  -0.338  -4.378  -6.378
  259    H    LEU  38           HN       LEU  38   1.619  -4.925  -2.648
  260    HA   LEU  38           HA       LEU  38   4.094  -3.364  -2.867
  261   1HB   LEU  38           HB2      LEU  38   2.170  -2.205  -2.103
  262   2HB   LEU  38           HB1      LEU  38   1.738  -3.492  -0.980
  263    HG   LEU  38           HG       LEU  38   3.624  -2.966   0.448
  264   1HD1  LEU  38          1HD1      LEU  38   4.737  -1.916  -1.919
  265   2HD1  LEU  38          3HD1      LEU  38   4.542  -0.537  -0.839
  266   3HD1  LEU  38          2HD1      LEU  38   5.478  -1.939  -0.321
  267   1HD2  LEU  38          1HD2      LEU  38   1.446  -1.417   0.240
  268   2HD2  LEU  38          3HD2      LEU  38   2.752  -1.032   1.360
  269   3HD2  LEU  38          2HD2      LEU  38   2.658  -0.214  -0.199
  270    H    SER  39           HN       SER  39   2.731  -5.423  -0.257
  271    HA   SER  39           HA       SER  39   4.987  -5.626   1.382
  272   1HB   SER  39           HB2      SER  39   2.637  -6.554   1.689
  273   2HB   SER  39           HB1      SER  39   3.111  -7.894   0.650
  274    HG   SER  39           HG       SER  39   3.930  -8.730   2.386
  275    H    THR  40           HN       THR  40   4.211  -7.469  -1.562
  276    HA   THR  40           HA       THR  40   6.620  -9.117  -1.404
  277    HB   THR  40           HB       THR  40   4.334  -9.634  -2.478
  278    HG1  THR  40           HG1      THR  40   5.739 -11.108  -3.046
  279   1HG2  THR  40          3HG2      THR  40   5.555  -7.942  -4.676
  280   2HG2  THR  40          2HG2      THR  40   4.085  -8.904  -4.819
  281   3HG2  THR  40          1HG2      THR  40   4.130  -7.519  -3.729
  282    H    TRP  41           HN       TRP  41   5.577  -6.218  -3.180
  283    HA   TRP  41           HA       TRP  41   7.790  -5.964  -4.943
  284   1HB   TRP  41           HB2      TRP  41   5.890  -4.590  -5.271
  285   2HB   TRP  41           HB1      TRP  41   5.871  -4.059  -3.592
  286    HD1  TRP  41           HD1      TRP  41   8.012  -3.715  -6.776
  287    HE1  TRP  41           HE1      TRP  41   9.230  -1.444  -6.701
  288    HE3  TRP  41           HE3      TRP  41   6.615  -2.111  -2.126
  289    HZ2  TRP  41           HZ2      TRP  41   9.571   0.757  -4.910
  290    HZ3  TRP  41           HZ3      TRP  41   7.402   0.074  -1.266
  291    HH2  TRP  41           HH2      TRP  41   8.879   1.507  -2.648
  292    H    LEU  42           HN       LEU  42   7.314  -4.306  -1.786
  293    HA   LEU  42           HA       LEU  42   9.939  -3.239  -1.581
  294   1HB   LEU  42           HB2      LEU  42   9.363  -3.209   0.883
  295   2HB   LEU  42           HB1      LEU  42   8.114  -2.522  -0.154
  296    HG   LEU  42           HG       LEU  42   7.293  -5.090  -0.141
  297   1HD1  LEU  42          2HD1      LEU  42   9.331  -5.394   1.545
  298   2HD1  LEU  42          1HD1      LEU  42   8.143  -4.806   2.709
  299   3HD1  LEU  42          3HD1      LEU  42   7.815  -6.266   1.777
  300   1HD2  LEU  42          1HD2      LEU  42   6.730  -2.710   1.551
  301   2HD2  LEU  42          3HD2      LEU  42   5.648  -3.619   0.496
  302   3HD2  LEU  42          2HD2      LEU  42   6.044  -4.240   2.099
  303    H    THR  43           HN       THR  43   8.638  -6.411  -0.696
  304    HA   THR  43           HA       THR  43  10.905  -7.409   0.737
  305    HB   THR  43           HB       THR  43   8.637  -8.595  -0.869
  306    HG1  THR  43           HG1      THR  43   8.328  -9.396   1.424
  307   1HG2  THR  43          2HG2      THR  43  11.102  -9.909   0.019
  308   2HG2  THR  43          1HG2      THR  43   9.643 -10.674   0.650
  309   3HG2  THR  43          3HG2      THR  43   9.858 -10.486  -1.091
  310    H    ILE  44           HN       ILE  44  10.031  -7.525  -2.720
  311    HA   ILE  44           HA       ILE  44  12.454  -8.966  -3.492
  312    HB   ILE  44           HB       ILE  44  10.192  -7.529  -4.898
  313   1HG1  ILE  44          2HG1      ILE  44  11.002 -10.438  -5.042
  314   2HG1  ILE  44          1HG1      ILE  44   9.969  -9.831  -3.747
  315   1HG2  ILE  44          3HG2      ILE  44  12.804  -8.437  -5.960
  316   2HG2  ILE  44          2HG2      ILE  44  11.392  -8.971  -6.873
  317   3HG2  ILE  44          1HG2      ILE  44  11.674  -7.250  -6.611
  318   1HD1  ILE  44          1HD1      ILE  44   9.373  -9.427  -6.688
  319   2HD1  ILE  44          3HD1      ILE  44   8.707 -10.749  -5.730
  320   3HD1  ILE  44          2HD1      ILE  44   8.307  -9.079  -5.327
  321    H    SER  45           HN       SER  45  11.339  -5.590  -3.507
  322    HA   SER  45           HA       SER  45  13.815  -4.635  -4.792
  323   1HB   SER  45           HB2      SER  45  12.676  -2.511  -4.721
  324   2HB   SER  45           HB1      SER  45  11.457  -3.723  -5.107
  325    HG   SER  45           HG       SER  45  11.482  -3.684  -2.536
  326    H    ARG  46           HN       ARG  46  13.081  -5.675  -1.729
  327    HA   ARG  46           HA       ARG  46  14.170  -5.399   0.346
  328   1HB   ARG  46           HB2      ARG  46  16.065  -5.418  -1.449
  329   2HB   ARG  46           HB1      ARG  46  16.157  -3.685  -1.135
  330   1HG   ARG  46           HG2      ARG  46  17.440  -4.142   0.658
  331   2HG   ARG  46           HG1      ARG  46  16.036  -4.909   1.401
  332   1HD   ARG  46           HD2      ARG  46  17.904  -6.354  -0.510
  333   2HD   ARG  46           HD1      ARG  46  18.046  -6.431   1.258
  334    HE   ARG  46           HE       ARG  46  15.347  -6.968   0.667
  335   1HH1  ARG  46          1HH1      ARG  46  18.240  -8.515   1.291
  336   2HH1  ARG  46          2HH1      ARG  46  17.779 -10.045   0.622
  337   1HH2  ARG  46          1HH2      ARG  46  14.829  -8.854  -0.757
  338   2HH2  ARG  46          2HH2      ARG  46  15.849 -10.236  -0.537
  339    H    ASN  47           HN       ASN  47  12.081  -3.824   0.391
  340    HA   ASN  47           HA       ASN  47  13.092  -1.120   1.218
  341   1HB   ASN  47           HB2      ASN  47  10.770  -2.001  -0.478
  342   2HB   ASN  47           HB1      ASN  47  10.657  -0.492   0.425
  343   1HD2  ASN  47          1HD2      ASN  47  11.147  -1.265  -2.608
  344   2HD2  ASN  47          2HD2      ASN  47  12.424  -0.236  -3.045
  345    H    THR  48           HN       THR  48  11.925  -0.203   3.053
  346    HA   THR  48           HA       THR  48  10.137  -2.141   4.479
  347    HB   THR  48           HB       THR  48  11.408  -1.799   6.482
  348    HG1  THR  48           HG1      THR  48  11.742   0.448   6.148
  349   1HG2  THR  48          3HG2      THR  48  12.408  -3.184   4.519
  350   2HG2  THR  48          2HG2      THR  48  13.557  -1.854   4.377
  351   3HG2  THR  48          1HG2      THR  48  13.456  -2.776   5.878
  352    H    ALA  49           HN       ALA  49  10.743   1.133   3.521
  353    HA   ALA  49           HA       ALA  49   8.253   1.961   4.924
  354   1HB   ALA  49           HB3      ALA  49   9.326   3.723   6.086
  355   2HB   ALA  49           HB1      ALA  49  10.767   3.623   5.076
  356   3HB   ALA  49           HB2      ALA  49  10.435   2.364   6.266
  357    H    CYS  50           HN       CYS  50   7.188   3.691   3.886
  358    HA   CYS  50           HA       CYS  50   7.457   4.019   1.097
  359   1HB   CYS  50           HB2      CYS  50   5.457   4.602   2.355
  360   2HB   CYS  50           HB1      CYS  50   6.338   5.833   3.258
  361    HG   CYS  50           HG       CYS  50   5.657   7.372   1.443
  362    H    GLN  51           HN       GLN  51   8.961   5.118  -0.104
  363    HA   GLN  51           HA       GLN  51  10.994   6.770   1.236
  364   1HB   GLN  51           HB2      GLN  51  10.460   5.692  -1.529
  365   2HB   GLN  51           HB1      GLN  51  11.726   6.894  -1.273
  366   1HG   GLN  51           HG2      GLN  51  12.135   5.054   0.778
  367   2HG   GLN  51           HG1      GLN  51  11.715   4.051  -0.611
  368   1HE2  GLN  51          1HE2      GLN  51  12.831   5.433  -2.749
  369   2HE2  GLN  51          2HE2      GLN  51  14.511   5.564  -2.550
  370    H    ILE  52           HN       ILE  52   7.942   7.317  -0.170
  371    HA   ILE  52           HA       ILE  52   8.408   9.898  -1.396
  372    HB   ILE  52           HB       ILE  52   5.875   8.715  -0.213
  373   1HG1  ILE  52          2HG1      ILE  52   6.896   7.078  -1.701
  374   2HG1  ILE  52          1HG1      ILE  52   5.536   7.825  -2.540
  375   1HG2  ILE  52          2HG2      ILE  52   6.457  10.828  -2.298
  376   2HG2  ILE  52          1HG2      ILE  52   4.886  10.038  -2.169
  377   3HG2  ILE  52          3HG2      ILE  52   5.506  10.992  -0.822
  378   1HD1  ILE  52          3HD1      ILE  52   8.422   8.703  -2.834
  379   2HD1  ILE  52          2HD1      ILE  52   7.575   7.657  -3.973
  380   3HD1  ILE  52          1HD1      ILE  52   7.040   9.321  -3.739
  381    H    CYS  53           HN       CYS  53   7.007   8.945   1.768
  382    HA   CYS  53           HA       CYS  53   7.583  11.732   2.724
  383   1HB   CYS  53           HB2      CYS  53   5.695  11.187   4.352
  384   2HB   CYS  53           HB1      CYS  53   5.219  11.322   2.660
  385    HG   CYS  53           HG       CYS  53   4.908   8.798   2.524
  386    H    GLY  54           HN       GLY  54   8.260   8.384   3.151
  387   1HA   GLY  54           HA1      GLY  54   9.994   9.047   5.450
  388   2HA   GLY  54           HA2      GLY  54  10.046   7.555   4.514
  389    H    VAL  55           HN       VAL  55   7.473   6.611   4.686
  390    HA   VAL  55           HA       VAL  55   7.047   6.346   7.647
  391    HB   VAL  55           HB       VAL  55   4.994   5.985   5.445
  392   1HG1  VAL  55          1HG1      VAL  55   4.927   5.253   8.085
  393   2HG1  VAL  55          3HG1      VAL  55   4.242   6.876   8.160
  394   3HG1  VAL  55          2HG1      VAL  55   3.498   5.651   7.133
  395   1HG2  VAL  55          1HG2      VAL  55   6.093   8.331   5.622
  396   2HG2  VAL  55          3HG2      VAL  55   4.332   8.247   5.699
  397   3HG2  VAL  55          2HG2      VAL  55   5.273   8.443   7.178
  398    H    VAL  56           HN       VAL  56   7.260   4.272   8.421
  399    HA   VAL  56           HA       VAL  56   8.222   2.144   6.774
  400    HB   VAL  56           HB       VAL  56   6.915   2.037   9.505
  401   1HG1  VAL  56          1HG1      VAL  56   8.304   0.118   7.795
  402   2HG1  VAL  56          3HG1      VAL  56   9.071   0.283   9.375
  403   3HG1  VAL  56          2HG1      VAL  56   7.368  -0.165   9.264
  404   1HG2  VAL  56          1HG2      VAL  56   9.577   3.007   8.535
  405   2HG2  VAL  56          3HG2      VAL  56   8.575   3.623   9.849
  406   3HG2  VAL  56          2HG2      VAL  56   9.514   2.147  10.074
  407    H    TYR  57           HN       TYR  57   7.194   0.353   5.894
  408    HA   TYR  57           HA       TYR  57   4.427   0.547   5.156
  409   1HB   TYR  57           HB2      TYR  57   6.355  -1.799   5.162
  410   2HB   TYR  57           HB1      TYR  57   4.875  -1.692   4.207
  411    HD1  TYR  57           HD1      TYR  57   5.047   1.263   3.551
  412    HD2  TYR  57           HD2      TYR  57   7.967  -1.872   3.367
  413    HE1  TYR  57           HE1      TYR  57   6.264   2.510   1.800
  414    HE2  TYR  57           HE2      TYR  57   9.195  -0.627   1.613
  415    HH   TYR  57           HH       TYR  57   9.044   1.095   0.134
  416    H    ASN  58           HN       ASN  58   6.124  -1.531   7.500
  417    HA   ASN  58           HA       ASN  58   5.302  -2.568   9.470
  418   1HB   ASN  58           HB2      ASN  58   3.833  -0.219   9.046
  419   2HB   ASN  58           HB1      ASN  58   2.607  -1.459   9.319
  420   1HD2  ASN  58          1HD2      ASN  58   2.089  -1.616  11.500
  421   2HD2  ASN  58          2HD2      ASN  58   3.177  -1.398  12.785
  422    H    THR  59           HN       THR  59   5.103  -3.955   6.988
  423    HA   THR  59           HA       THR  59   2.403  -5.071   6.723
  424    HB   THR  59           HB       THR  59   3.443  -6.339   4.935
  425    HG1  THR  59           HG1      THR  59   5.712  -5.790   6.445
  426   1HG2  THR  59          2HG2      THR  59   3.860  -3.483   5.267
  427   2HG2  THR  59          1HG2      THR  59   5.086  -4.194   4.217
  428   3HG2  THR  59          3HG2      THR  59   3.376  -4.380   3.828
  429    H    ARG  60           HN       ARG  60   1.655  -6.759   7.942
  430    HA   ARG  60           HA       ARG  60   1.657  -8.584   9.445
  431   1HB   ARG  60           HB2      ARG  60   2.985  -9.245   7.223
  432   2HB   ARG  60           HB1      ARG  60   4.337  -9.352   8.353
  433   1HG   ARG  60           HG2      ARG  60   3.531 -11.491   8.603
  434   2HG   ARG  60           HG1      ARG  60   2.494 -10.690   9.784
  435   1HD   ARG  60           HD2      ARG  60   1.463 -10.562   7.022
  436   2HD   ARG  60           HD1      ARG  60   1.547 -12.202   7.696
  437    HE   ARG  60           HE       ARG  60  -0.236 -10.106   8.606
  438   1HH1  ARG  60          1HH1      ARG  60  -1.455 -10.528  10.455
  439   2HH1  ARG  60          2HH1      ARG  60  -1.020 -11.852  11.482
  440   1HH2  ARG  60          1HH2      ARG  60   1.703 -12.801   9.559
  441   2HH2  ARG  60          2HH2      ARG  60   0.766 -13.137  10.975

  No H/Q in entry =         441
  Start of MODEL    6
    1    H1   MET   1           HT2      MET   1  21.399  -4.953   6.194
    2    H2   MET   1           HT1      MET   1  22.523  -5.026   7.467
    3    H3   MET   1           HT3      MET   1  22.268  -6.383   6.483
    4    HA   MET   1           HA       MET   1  20.063  -6.697   7.338
    5   1HB   MET   1           HB2      MET   1  22.268  -7.371   8.534
    6   2HB   MET   1           HB1      MET   1  21.882  -6.075   9.666
    7   1HG   MET   1           HG2      MET   1  19.490  -7.538   9.308
    8   2HG   MET   1           HG1      MET   1  20.768  -8.733   9.522
    9   1HE   MET   1           HE1      MET   1  18.354  -6.759  10.631
   10   2HE   MET   1           HE3      MET   1  18.268  -7.416  12.271
   11   3HE   MET   1           HE2      MET   1  18.812  -5.760  12.009
   12    H    GLU   2           HN       GLU   2  18.220  -5.591   7.884
   13    HA   GLU   2           HA       GLU   2  18.437  -3.184   9.625
   14   1HB   GLU   2           HB2      GLU   2  18.087  -3.211   6.783
   15   2HB   GLU   2           HB1      GLU   2  16.592  -2.632   7.518
   16   1HG   GLU   2           HG2      GLU   2  18.746  -1.423   8.931
   17   2HG   GLU   2           HG1      GLU   2  19.079  -1.233   7.209
   18    H    ASP   3           HN       ASP   3  15.777  -4.392   7.606
   19    HA   ASP   3           HA       ASP   3  14.143  -4.711  10.085
   20   1HB   ASP   3           HB2      ASP   3  12.265  -4.593   8.424
   21   2HB   ASP   3           HB1      ASP   3  13.318  -3.180   8.378
   22    H    GLU   4           HN       GLU   4  12.279  -6.472   9.507
   23    HA   GLU   4           HA       GLU   4  13.551  -8.918   8.356
   24   1HB   GLU   4           HB2      GLU   4  12.733 -10.121  10.425
   25   2HB   GLU   4           HB1      GLU   4  14.008  -8.942  10.742
   26   1HG   GLU   4           HG2      GLU   4  12.574  -7.463  11.791
   27   2HG   GLU   4           HG1      GLU   4  11.173  -8.003  10.866
   28    H    ASP   5           HN       ASP   5  11.765 -10.733   8.332
   29    HA   ASP   5           HA       ASP   5   9.668 -11.425   7.484
   30   1HB   ASP   5           HB2      ASP   5   8.958 -10.634   9.674
   31   2HB   ASP   5           HB1      ASP   5   8.941  -8.964   9.105
   32    H    VAL   6           HN       VAL   6   9.495 -11.167   5.276
   33    HA   VAL   6           HA       VAL   6   9.192  -8.394   4.191
   34    HB   VAL   6           HB       VAL   6   9.999 -11.033   2.946
   35   1HG1  VAL   6          1HG1      VAL   6   8.780  -9.184   1.525
   36   2HG1  VAL   6          3HG1      VAL   6  10.332  -8.354   1.636
   37   3HG1  VAL   6          2HG1      VAL   6  10.237  -9.951   0.894
   38   1HG2  VAL   6          2HG2      VAL   6  11.443  -8.768   4.200
   39   2HG2  VAL   6          1HG2      VAL   6  11.927 -10.456   4.033
   40   3HG2  VAL   6          3HG2      VAL   6  12.116  -9.346   2.675
   41    HA   PRO   7           HA       PRO   7   4.967  -9.882   3.616
   42   1HB   PRO   7           HB2      PRO   7   3.882  -7.391   3.390
   43   2HB   PRO   7           HB1      PRO   7   4.261  -8.134   4.956
   44   1HG   PRO   7           HG2      PRO   7   5.739  -6.061   3.438
   45   2HG   PRO   7           HG1      PRO   7   5.536  -6.253   5.185
   46   1HD   PRO   7           HD2      PRO   7   7.806  -6.956   3.780
   47   2HD   PRO   7           HD1      PRO   7   7.350  -7.616   5.364
   48    H    VAL   8           HN       VAL   8   3.459  -9.610   1.759
   49    HA   VAL   8           HA       VAL   8   4.890  -8.710  -0.714
   50    HB   VAL   8           HB       VAL   8   2.679 -10.759  -0.428
   51   1HG1  VAL   8          3HG1      VAL   8   3.355  -9.535  -2.669
   52   2HG1  VAL   8          2HG1      VAL   8   4.728 -10.642  -2.619
   53   3HG1  VAL   8          1HG1      VAL   8   3.084 -11.278  -2.664
   54   1HG2  VAL   8          3HG2      VAL   8   5.202 -11.028   0.635
   55   2HG2  VAL   8          2HG2      VAL   8   4.208 -12.373   0.076
   56   3HG2  VAL   8          1HG2      VAL   8   5.428 -11.676  -0.989
   57    H    CYS   9           HN       CYS   9   3.787  -7.330  -2.123
   58    HA   CYS   9           HA       CYS   9   1.663  -5.691  -1.131
   59   1HB   CYS   9           HB2      CYS   9   3.218  -4.905  -2.795
   60   2HB   CYS   9           HB1      CYS   9   2.805  -6.225  -3.887
   61    H    TRP  10           HN       TRP  10  -0.473  -6.179  -1.018
   62    HA   TRP  10           HA       TRP  10  -1.574  -8.660  -1.994
   63   1HB   TRP  10           HB2      TRP  10  -3.656  -7.671  -1.076
   64   2HB   TRP  10           HB1      TRP  10  -2.300  -7.476   0.032
   65    HD1  TRP  10           HD1      TRP  10  -1.365  -5.043   0.448
   66    HE1  TRP  10           HE1      TRP  10  -2.280  -2.702  -0.137
   67    HE3  TRP  10           HE3      TRP  10  -5.036  -6.321  -2.875
   68    HZ2  TRP  10           HZ2      TRP  10  -4.300  -1.528  -1.789
   69    HZ3  TRP  10           HZ3      TRP  10  -6.437  -4.574  -3.935
   70    HH2  TRP  10           HH2      TRP  10  -6.073  -2.181  -3.398
   71    H    ILE  11           HN       ILE  11  -1.167  -5.571  -3.510
   72    HA   ILE  11           HA       ILE  11  -3.460  -5.767  -5.302
   73    HB   ILE  11           HB       ILE  11  -0.918  -4.136  -5.551
   74   1HG1  ILE  11          2HG1      ILE  11  -3.428  -3.690  -3.911
   75   2HG1  ILE  11          1HG1      ILE  11  -1.766  -3.783  -3.325
   76   1HG2  ILE  11          2HG2      ILE  11  -2.581  -4.234  -7.479
   77   2HG2  ILE  11          1HG2      ILE  11  -3.747  -3.470  -6.399
   78   3HG2  ILE  11          3HG2      ILE  11  -2.264  -2.623  -6.835
   79   1HD1  ILE  11          3HD1      ILE  11  -1.202  -1.744  -4.593
   80   2HD1  ILE  11          2HD1      ILE  11  -2.865  -1.644  -5.171
   81   3HD1  ILE  11          1HD1      ILE  11  -2.514  -1.439  -3.455
   82    H    CYS  12           HN       CYS  12   0.082  -5.997  -5.929
   83    HA   CYS  12           HA       CYS  12  -0.562  -7.526  -8.415
   84   1HB   CYS  12           HB2      CYS  12   1.762  -6.884  -9.020
   85   2HB   CYS  12           HB1      CYS  12   0.791  -5.474  -8.594
   86    H    ASN  13           HN       ASN  13   0.248  -8.145  -5.238
   87    HA   ASN  13           HA       ASN  13   1.029 -10.117  -4.183
   88   1HB   ASN  13           HB2      ASN  13  -0.164 -10.810  -6.604
   89   2HB   ASN  13           HB1      ASN  13   1.398 -11.628  -6.660
   90   1HD2  ASN  13          1HD2      ASN  13   1.631 -11.991  -3.748
   91   2HD2  ASN  13          2HD2      ASN  13   0.483 -13.161  -3.307
   92    H    GLU  14           HN       GLU  14   2.979  -8.233  -4.598
   93    HA   GLU  14           HA       GLU  14   5.325  -9.888  -5.463
   94   1HB   GLU  14           HB2      GLU  14   4.889  -8.274  -7.186
   95   2HB   GLU  14           HB1      GLU  14   4.633  -6.989  -6.007
   96   1HG   GLU  14           HG2      GLU  14   6.987  -7.098  -5.335
   97   2HG   GLU  14           HG1      GLU  14   7.258  -8.444  -6.441
   98    H    GLU  15           HN       GLU  15   6.950  -9.947  -3.935
   99    HA   GLU  15           HA       GLU  15   6.573  -8.965  -1.292
  100   1HB   GLU  15           HB2      GLU  15   8.527 -10.398  -2.884
  101   2HB   GLU  15           HB1      GLU  15   9.323  -9.322  -1.734
  102   1HG   GLU  15           HG2      GLU  15   8.894 -10.812  -0.104
  103   2HG   GLU  15           HG1      GLU  15   7.170 -10.525  -0.343
  104    H    LEU  16           HN       LEU  16   7.188  -7.087  -0.278
  105    HA   LEU  16           HA       LEU  16   8.657  -5.056  -1.916
  106   1HB   LEU  16           HB2      LEU  16   7.273  -3.438  -0.402
  107   2HB   LEU  16           HB1      LEU  16   6.451  -4.235  -1.736
  108    HG   LEU  16           HG       LEU  16   6.465  -5.489   1.004
  109   1HD1  LEU  16          3HD1      LEU  16   4.854  -3.162  -0.010
  110   2HD1  LEU  16          2HD1      LEU  16   4.119  -4.314   1.104
  111   3HD1  LEU  16          1HD1      LEU  16   5.555  -3.412   1.591
  112   1HD2  LEU  16          3HD2      LEU  16   4.986  -5.775  -1.563
  113   2HD2  LEU  16          2HD2      LEU  16   5.415  -7.002  -0.375
  114   3HD2  LEU  16          1HD2      LEU  16   4.034  -5.951  -0.087
  115    H    GLY  17           HN       GLY  17   8.139  -6.549   1.223
  116   1HA   GLY  17           HA1      GLY  17  10.870  -5.949   2.025
  117   2HA   GLY  17           HA2      GLY  17   9.693  -6.864   2.960
  118    H    ASN  18           HN       ASN  18   9.045  -3.577   1.800
  119    HA   ASN  18           HA       ASN  18   8.129  -2.580   4.259
  120   1HB   ASN  18           HB2      ASN  18  10.959  -3.072   4.211
  121   2HB   ASN  18           HB1      ASN  18  10.696  -1.334   4.330
  122   1HD2  ASN  18          1HD2      ASN  18   8.691  -4.014   5.658
  123   2HD2  ASN  18          2HD2      ASN  18   8.824  -3.511   7.273
  124    H    GLU  19           HN       GLU  19   7.594  -2.084   1.500
  125    HA   GLU  19           HA       GLU  19   8.787   0.276   0.440
  126   1HB   GLU  19           HB2      GLU  19   6.992  -1.509  -0.416
  127   2HB   GLU  19           HB1      GLU  19   5.856  -0.278   0.137
  128   1HG   GLU  19           HG2      GLU  19   6.396   0.086  -2.227
  129   2HG   GLU  19           HG1      GLU  19   7.036   1.409  -1.251
  130    H    ARG  20           HN       ARG  20   8.994   2.063   1.814
  131    HA   ARG  20           HA       ARG  20   7.172   2.771   3.891
  132   1HB   ARG  20           HB2      ARG  20   9.072   4.470   2.239
  133   2HB   ARG  20           HB1      ARG  20   8.418   4.911   3.817
  134   1HG   ARG  20           HG2      ARG  20  10.094   2.441   3.281
  135   2HG   ARG  20           HG1      ARG  20  10.716   3.942   3.964
  136   1HD   ARG  20           HD2      ARG  20   8.417   3.284   5.490
  137   2HD   ARG  20           HD1      ARG  20   9.363   1.791   5.327
  138    HE   ARG  20           HE       ARG  20  10.886   4.241   5.979
  139   1HH1  ARG  20          1HH1      ARG  20   8.824   2.874   8.006
  140   2HH1  ARG  20          2HH1      ARG  20   9.967   2.066   9.027
  141   1HH2  ARG  20          1HH2      ARG  20  12.629   2.522   6.853
  142   2HH2  ARG  20          2HH2      ARG  20  12.121   1.868   8.374
  143    H    PHE  21           HN       PHE  21   5.025   2.802   3.120
  144    HA   PHE  21           HA       PHE  21   4.284   5.214   1.563
  145   1HB   PHE  21           HB2      PHE  21   4.540   3.610  -0.179
  146   2HB   PHE  21           HB1      PHE  21   3.826   2.326   0.793
  147    HD1  PHE  21           HD1      PHE  21   2.265   1.831  -1.068
  148    HD2  PHE  21           HD2      PHE  21   2.283   5.647   0.909
  149    HE1  PHE  21           HE1      PHE  21   0.041   2.336  -2.026
  150    HE2  PHE  21           HE2      PHE  21   0.053   6.149  -0.053
  151    HZ   PHE  21           HZ       PHE  21  -1.070   4.493  -1.521
  152    H    ARG  22           HN       ARG  22   3.137   6.018   3.376
  153    HA   ARG  22           HA       ARG  22   1.403   4.359   5.010
  154   1HB   ARG  22           HB2      ARG  22   2.010   7.281   4.630
  155   2HB   ARG  22           HB1      ARG  22   0.621   6.815   5.612
  156   1HG   ARG  22           HG2      ARG  22   2.308   6.882   7.217
  157   2HG   ARG  22           HG1      ARG  22   2.345   5.181   6.752
  158   1HD   ARG  22           HD2      ARG  22   4.636   6.016   6.747
  159   2HD   ARG  22           HD1      ARG  22   4.142   5.786   5.057
  160    HE   ARG  22           HE       ARG  22   4.284   8.125   4.794
  161   1HH1  ARG  22          1HH1      ARG  22   3.057  10.025   5.686
  162   2HH1  ARG  22          2HH1      ARG  22   3.460  10.441   7.319
  163   1HH2  ARG  22          1HH2      ARG  22   5.126   7.467   7.949
  164   2HH2  ARG  22          2HH2      ARG  22   4.631   8.995   8.598
  165    H    ALA  23           HN       ALA  23  -0.126   3.341   3.584
  166    HA   ALA  23           HA       ALA  23  -1.941   5.234   2.145
  167   1HB   ALA  23           HB3      ALA  23  -2.020   2.361   1.489
  168   2HB   ALA  23           HB2      ALA  23  -1.917   3.755   0.413
  169   3HB   ALA  23           HB1      ALA  23  -0.462   3.133   1.193
  170    H    CYS  24           HN       CYS  24  -1.739   3.112   4.792
  171    HA   CYS  24           HA       CYS  24  -4.427   3.526   5.622
  172   1HB   CYS  24           HB2      CYS  24  -5.310   2.259   3.912
  173   2HB   CYS  24           HB1      CYS  24  -3.861   1.278   3.745
  174    H    GLY  25           HN       GLY  25  -5.008   2.040   7.461
  175   1HA   GLY  25           HA1      GLY  25  -3.714   1.810   9.647
  176   2HA   GLY  25           HA2      GLY  25  -2.565   0.848   8.714
  177    H    CYS  26           HN       CYS  26  -4.118  -0.799   7.239
  178    HA   CYS  26           HA       CYS  26  -6.322  -1.977   8.731
  179   1HB   CYS  26           HB2      CYS  26  -4.916  -2.254   6.172
  180   2HB   CYS  26           HB1      CYS  26  -5.431  -3.805   6.835
  181    H    THR  27           HN       THR  27  -5.889  -4.674   8.673
  182    HA   THR  27           HA       THR  27  -3.441  -5.078  10.363
  183    HB   THR  27           HB       THR  27  -5.512  -4.925  11.694
  184    HG1  THR  27           HG1      THR  27  -5.438  -7.333  12.319
  185   1HG2  THR  27          1HG2      THR  27  -6.487  -6.645   9.514
  186   2HG2  THR  27          3HG2      THR  27  -6.977  -7.177  11.123
  187   3HG2  THR  27          2HG2      THR  27  -7.380  -5.551  10.571
  188    H    GLY  28           HN       GLY  28  -4.020  -5.649   7.435
  189   1HA   GLY  28           HA1      GLY  28  -4.619  -8.083   6.549
  190   2HA   GLY  28           HA2      GLY  28  -3.224  -8.504   7.541
  191    H    GLU  29           HN       GLU  29  -3.564  -8.697   4.615
  192    HA   GLU  29           HA       GLU  29  -1.007  -8.014   3.696
  193   1HB   GLU  29           HB2      GLU  29  -1.942  -8.482   1.527
  194   2HB   GLU  29           HB1      GLU  29  -2.816  -9.489   2.680
  195   1HG   GLU  29           HG2      GLU  29  -4.611  -7.777   2.788
  196   2HG   GLU  29           HG1      GLU  29  -3.753  -6.824   1.577
  197    H    LEU  30           HN       LEU  30  -3.919  -6.004   3.805
  198    HA   LEU  30           HA       LEU  30  -3.128  -3.921   2.060
  199   1HB   LEU  30           HB2      LEU  30  -5.269  -4.530   3.621
  200   2HB   LEU  30           HB1      LEU  30  -4.578  -3.189   4.537
  201    HG   LEU  30           HG       LEU  30  -6.176  -2.337   2.876
  202   1HD1  LEU  30          3HD1      LEU  30  -3.833  -1.248   3.398
  203   2HD1  LEU  30          2HD1      LEU  30  -3.475  -1.693   1.729
  204   3HD1  LEU  30          1HD1      LEU  30  -4.821  -0.608   2.084
  205   1HD2  LEU  30          3HD2      LEU  30  -4.773  -4.286   1.200
  206   2HD2  LEU  30          2HD2      LEU  30  -6.358  -3.545   0.966
  207   3HD2  LEU  30          1HD2      LEU  30  -4.904  -2.706   0.422
  208    H    GLU  31           HN       GLU  31  -1.696  -4.825   5.041
  209    HA   GLU  31           HA       GLU  31  -0.835  -2.202   5.927
  210   1HB   GLU  31           HB2      GLU  31  -0.107  -5.080   6.458
  211   2HB   GLU  31           HB1      GLU  31   0.855  -3.778   7.162
  212   1HG   GLU  31           HG2      GLU  31  -2.018  -3.320   7.458
  213   2HG   GLU  31           HG1      GLU  31  -1.492  -4.816   8.232
  214    H    ASN  32           HN       ASN  32   0.623  -4.728   3.853
  215    HA   ASN  32           HA       ASN  32   2.862  -2.809   3.274
  216   1HB   ASN  32           HB2      ASN  32   2.780  -5.795   2.795
  217   2HB   ASN  32           HB1      ASN  32   4.197  -4.757   2.907
  218   1HD2  ASN  32          1HD2      ASN  32   2.493  -7.009   4.644
  219   2HD2  ASN  32          2HD2      ASN  32   2.886  -6.514   6.221
  220    H    VAL  33           HN       VAL  33   2.611  -1.859   1.286
  221    HA   VAL  33           HA       VAL  33   1.793  -3.539  -1.014
  222    HB   VAL  33           HB       VAL  33  -0.310  -2.726  -0.110
  223   1HG1  VAL  33          1HG1      VAL  33   0.960  -0.751   1.050
  224   2HG1  VAL  33          3HG1      VAL  33   0.631   0.111  -0.453
  225   3HG1  VAL  33          2HG1      VAL  33  -0.705  -0.502   0.523
  226   1HG2  VAL  33          2HG2      VAL  33   0.603  -1.082  -2.486
  227   2HG2  VAL  33          1HG2      VAL  33  -0.045  -2.720  -2.556
  228   3HG2  VAL  33          3HG2      VAL  33  -1.078  -1.385  -2.044
  229    H    HIS  34           HN       HIS  34   2.758  -2.806  -2.935
  230    HA   HIS  34           HA       HIS  34   4.844  -0.804  -2.808
  231   1HB   HIS  34           HB2      HIS  34   3.326  -2.033  -5.119
  232   2HB   HIS  34           HB1      HIS  34   4.790  -1.081  -5.300
  233    HD2  HIS  34           HD2      HIS  34   6.951  -2.360  -3.477
  234    HE1  HIS  34           HE1      HIS  34   5.538  -6.181  -4.605
  235    HE2  HIS  34           HE2      HIS  34   7.448  -4.902  -3.579
  236    H    ARG  35           HN       ARG  35   4.513   1.407  -2.791
  237    HA   ARG  35           HA       ARG  35   1.972   2.657  -3.155
  238   1HB   ARG  35           HB2      ARG  35   3.848   3.649  -1.934
  239   2HB   ARG  35           HB1      ARG  35   4.818   3.679  -3.408
  240   1HG   ARG  35           HG2      ARG  35   3.451   5.343  -4.404
  241   2HG   ARG  35           HG1      ARG  35   2.159   5.099  -3.226
  242   1HD   ARG  35           HD2      ARG  35   3.126   6.963  -2.264
  243   2HD   ARG  35           HD1      ARG  35   4.194   5.739  -1.550
  244    HE   ARG  35           HE       ARG  35   4.862   7.060  -4.152
  245   1HH1  ARG  35          1HH1      ARG  35   5.600   7.725  -1.064
  246   2HH1  ARG  35          2HH1      ARG  35   7.285   7.332  -1.138
  247   1HH2  ARG  35          1HH2      ARG  35   7.057   5.773  -4.227
  248   2HH2  ARG  35          2HH2      ARG  35   8.111   6.227  -2.930
  249    H    SER  36           HN       SER  36   4.227   1.408  -5.402
  250    HA   SER  36           HA       SER  36   3.717   3.137  -7.651
  251   1HB   SER  36           HB2      SER  36   5.686   1.805  -7.621
  252   2HB   SER  36           HB1      SER  36   4.783   0.341  -7.243
  253    HG   SER  36           HG       SER  36   5.426   0.538  -9.474
  254    H    CYS  37           HN       CYS  37   2.612  -0.266  -7.146
  255    HA   CYS  37           HA       CYS  37   0.588   0.051  -9.232
  256   1HB   CYS  37           HB2      CYS  37  -0.015  -2.285  -8.485
  257   2HB   CYS  37           HB1      CYS  37   1.672  -2.075  -8.937
  258    HG   CYS  37           HG       CYS  37   2.298  -2.769  -6.653
  259    H    LEU  38           HN       LEU  38   0.602   0.459  -5.745
  260    HA   LEU  38           HA       LEU  38  -2.295   0.178  -5.453
  261   1HB   LEU  38           HB2      LEU  38  -0.908  -0.233  -3.543
  262   2HB   LEU  38           HB1      LEU  38  -0.041   1.284  -3.758
  263    HG   LEU  38           HG       LEU  38  -1.874   2.577  -3.010
  264   1HD1  LEU  38          2HD1      LEU  38  -3.430   0.232  -3.928
  265   2HD1  LEU  38          1HD1      LEU  38  -4.060   1.030  -2.487
  266   3HD1  LEU  38          3HD1      LEU  38  -3.841   1.947  -3.978
  267   1HD2  LEU  38          1HD2      LEU  38  -0.968   0.383  -1.439
  268   2HD2  LEU  38          3HD2      LEU  38  -1.603   1.926  -0.871
  269   3HD2  LEU  38          2HD2      LEU  38  -2.695   0.565  -1.131
  270    H    SER  39           HN       SER  39  -0.117   3.012  -5.152
  271    HA   SER  39           HA       SER  39  -2.056   5.041  -5.134
  272   1HB   SER  39           HB2      SER  39  -0.213   6.459  -5.625
  273   2HB   SER  39           HB1      SER  39   0.517   5.060  -4.842
  274    HG   SER  39           HG       SER  39   0.770   4.229  -7.055
  275    H    THR  40           HN       THR  40  -0.685   3.270  -7.882
  276    HA   THR  40           HA       THR  40  -2.073   4.951  -9.855
  277    HB   THR  40           HB       THR  40   0.202   3.747 -10.042
  278    HG1  THR  40           HG1      THR  40  -0.331   3.144 -12.273
  279   1HG2  THR  40          3HG2      THR  40  -0.871   1.564  -9.189
  280   2HG2  THR  40          2HG2      THR  40  -1.507   1.388 -10.825
  281   3HG2  THR  40          1HG2      THR  40   0.235   1.438 -10.556
  282    H    TRP  41           HN       TRP  41  -2.533   1.817  -8.275
  283    HA   TRP  41           HA       TRP  41  -4.624   0.836  -9.985
  284   1HB   TRP  41           HB2      TRP  41  -3.626  -0.743  -8.582
  285   2HB   TRP  41           HB1      TRP  41  -3.603   0.347  -7.199
  286    HD1  TRP  41           HD1      TRP  41  -6.004  -1.854  -9.236
  287    HE1  TRP  41           HE1      TRP  41  -8.038  -2.435  -7.765
  288    HE3  TRP  41           HE3      TRP  41  -4.993   1.038  -5.148
  289    HZ2  TRP  41           HZ2      TRP  41  -9.097  -1.764  -5.194
  290    HZ3  TRP  41           HZ3      TRP  41  -6.530   1.044  -3.204
  291    HH2  TRP  41           HH2      TRP  41  -8.579  -0.349  -3.223
  292    H    LEU  42           HN       LEU  42  -4.864   2.357  -6.732
  293    HA   LEU  42           HA       LEU  42  -7.647   2.651  -6.612
  294   1HB   LEU  42           HB2      LEU  42  -7.055   4.694  -5.188
  295   2HB   LEU  42           HB1      LEU  42  -6.276   3.184  -4.723
  296    HG   LEU  42           HG       LEU  42  -4.419   4.096  -6.451
  297   1HD1  LEU  42          1HD1      LEU  42  -5.695   6.152  -6.951
  298   2HD1  LEU  42          3HD1      LEU  42  -5.667   6.577  -5.239
  299   3HD1  LEU  42          2HD1      LEU  42  -4.163   6.523  -6.159
  300   1HD2  LEU  42          1HD2      LEU  42  -4.855   4.209  -3.555
  301   2HD2  LEU  42          3HD2      LEU  42  -3.409   3.746  -4.451
  302   3HD2  LEU  42          2HD2      LEU  42  -3.734   5.447  -4.124
  303    H    THR  43           HN       THR  43  -5.325   4.458  -8.543
  304    HA   THR  43           HA       THR  43  -7.035   6.693  -9.191
  305    HB   THR  43           HB       THR  43  -4.972   5.576 -11.066
  306    HG1  THR  43           HG1      THR  43  -3.825   5.284  -9.294
  307   1HG2  THR  43          3HG2      THR  43  -6.336   7.956 -10.893
  308   2HG2  THR  43          2HG2      THR  43  -4.820   8.344 -10.082
  309   3HG2  THR  43          1HG2      THR  43  -4.803   7.735 -11.736
  310    H    ILE  44           HN       ILE  44  -6.550   3.471 -10.599
  311    HA   ILE  44           HA       ILE  44  -8.253   3.959 -12.917
  312    HB   ILE  44           HB       ILE  44  -6.907   1.617 -11.582
  313   1HG1  ILE  44          2HG1      ILE  44  -6.250   1.665 -14.252
  314   2HG1  ILE  44          1HG1      ILE  44  -6.502   3.377 -13.909
  315   1HG2  ILE  44          1HG2      ILE  44  -8.924   1.526 -13.840
  316   2HG2  ILE  44          3HG2      ILE  44  -7.759   0.237 -13.537
  317   3HG2  ILE  44          2HG2      ILE  44  -8.972   0.633 -12.320
  318   1HD1  ILE  44          2HD1      ILE  44  -4.979   1.940 -11.835
  319   2HD1  ILE  44          1HD1      ILE  44  -4.171   2.029 -13.400
  320   3HD1  ILE  44          3HD1      ILE  44  -4.666   3.509 -12.578
  321    H    SER  45           HN       SER  45  -8.647   2.424  -9.725
  322    HA   SER  45           HA       SER  45 -11.519   1.901 -10.285
  323   1HB   SER  45           HB2      SER  45 -10.575   0.080  -9.195
  324   2HB   SER  45           HB1      SER  45  -9.436   1.079  -8.298
  325    HG   SER  45           HG       SER  45 -10.897   0.596  -6.792
  326    H    ARG  46           HN       ARG  46  -9.932   4.588  -9.543
  327    HA   ARG  46           HA       ARG  46 -10.318   6.480  -8.167
  328   1HB   ARG  46           HB2      ARG  46 -12.080   6.452  -9.906
  329   2HB   ARG  46           HB1      ARG  46 -13.111   5.503  -8.834
  330   1HG   ARG  46           HG2      ARG  46 -13.877   7.638  -8.358
  331   2HG   ARG  46           HG1      ARG  46 -12.610   7.474  -7.143
  332   1HD   ARG  46           HD2      ARG  46 -11.076   8.450  -9.085
  333   2HD   ARG  46           HD1      ARG  46 -12.621   9.120  -9.645
  334    HE   ARG  46           HE       ARG  46 -12.590   9.611  -6.899
  335   1HH1  ARG  46          1HH1      ARG  46 -12.811  12.091  -7.609
  336   2HH1  ARG  46          2HH1      ARG  46 -11.249  12.804  -7.835
  337   1HH2  ARG  46          1HH2      ARG  46  -9.599   9.762  -8.051
  338   2HH2  ARG  46          2HH2      ARG  46  -9.431  11.485  -8.086
  339    H    ASN  47           HN       ASN  47  -9.521   5.148  -6.223
  340    HA   ASN  47           HA       ASN  47 -11.750   4.544  -4.320
  341   1HB   ASN  47           HB2      ASN  47  -9.072   3.449  -4.932
  342   2HB   ASN  47           HB1      ASN  47  -9.451   3.554  -3.213
  343   1HD2  ASN  47          1HD2      ASN  47  -9.649   1.183  -3.077
  344   2HD2  ASN  47          2HD2      ASN  47 -11.005   0.389  -3.719
  345    H    THR  48           HN       THR  48  -8.415   5.802  -4.250
  346    HA   THR  48           HA       THR  48  -7.508   7.710  -3.201
  347    HB   THR  48           HB       THR  48  -8.923   9.496  -2.772
  348    HG1  THR  48           HG1      THR  48 -11.183   7.954  -2.257
  349   1HG2  THR  48          3HG2      THR  48  -9.541   7.980  -4.973
  350   2HG2  THR  48          2HG2      THR  48 -11.119   8.166  -4.207
  351   3HG2  THR  48          1HG2      THR  48 -10.182   9.592  -4.652
  352    H    ALA  49           HN       ALA  49  -9.699   5.595  -1.412
  353    HA   ALA  49           HA       ALA  49  -7.873   5.787   0.909
  354   1HB   ALA  49           HB1      ALA  49  -9.700   7.559   1.015
  355   2HB   ALA  49           HB2      ALA  49  -9.632   6.470   2.400
  356   3HB   ALA  49           HB3      ALA  49 -10.858   6.237   1.154
  357    H    CYS  50           HN       CYS  50  -7.884   3.881   2.138
  358    HA   CYS  50           HA       CYS  50  -8.789   1.457   0.952
  359   1HB   CYS  50           HB2      CYS  50  -6.973   1.801   2.662
  360   2HB   CYS  50           HB1      CYS  50  -8.228   2.054   3.874
  361    HG   CYS  50           HG       CYS  50  -7.885  -0.654   2.336
  362    H    GLN  51           HN       GLN  51 -10.929   0.942   0.665
  363    HA   GLN  51           HA       GLN  51 -13.073   2.085   2.242
  364   1HB   GLN  51           HB2      GLN  51 -12.753  -0.055   0.145
  365   2HB   GLN  51           HB1      GLN  51 -14.312   0.189   0.933
  366   1HG   GLN  51           HG2      GLN  51 -12.740   2.405  -0.409
  367   2HG   GLN  51           HG1      GLN  51 -14.036   1.502  -1.198
  368   1HE2  GLN  51          1HE2      GLN  51 -14.608   4.133  -1.032
  369   2HE2  GLN  51          2HE2      GLN  51 -15.689   4.476   0.232
  370    H    ILE  52           HN       ILE  52 -10.865  -0.349   2.953
  371    HA   ILE  52           HA       ILE  52 -12.631  -2.209   4.337
  372    HB   ILE  52           HB       ILE  52  -9.643  -1.738   4.589
  373   1HG1  ILE  52          2HG1      ILE  52 -10.112  -2.011   2.250
  374   2HG1  ILE  52          1HG1      ILE  52  -9.562  -3.585   2.827
  375   1HG2  ILE  52          1HG2      ILE  52 -11.023  -3.294   6.194
  376   2HG2  ILE  52          3HG2      ILE  52 -11.065  -4.377   4.803
  377   3HG2  ILE  52          2HG2      ILE  52  -9.517  -3.890   5.494
  378   1HD1  ILE  52          2HD1      ILE  52 -12.038  -4.139   3.205
  379   2HD1  ILE  52          1HD1      ILE  52 -12.395  -2.700   2.249
  380   3HD1  ILE  52          3HD1      ILE  52 -11.506  -4.041   1.527
  381    H    CYS  53           HN       CYS  53 -10.390   0.383   5.383
  382    HA   CYS  53           HA       CYS  53 -11.762   0.354   8.056
  383   1HB   CYS  53           HB2      CYS  53  -9.547   1.223   8.869
  384   2HB   CYS  53           HB1      CYS  53  -9.436  -0.381   8.144
  385    HG   CYS  53           HG       CYS  53  -8.010   0.536   6.338
  386    H    GLY  54           HN       GLY  54 -10.973   2.181   5.241
  387   1HA   GLY  54           HA1      GLY  54 -12.349   4.531   6.388
  388   2HA   GLY  54           HA2      GLY  54 -11.988   4.277   4.683
  389    H    VAL  55           HN       VAL  55  -9.124   3.590   5.342
  390    HA   VAL  55           HA       VAL  55  -8.130   6.232   6.316
  391    HB   VAL  55           HB       VAL  55  -6.676   3.643   5.674
  392   1HG1  VAL  55          1HG1      VAL  55  -5.863   6.147   7.182
  393   2HG1  VAL  55          3HG1      VAL  55  -4.913   4.662   7.130
  394   3HG1  VAL  55          2HG1      VAL  55  -5.197   5.580   5.651
  395   1HG2  VAL  55          1HG2      VAL  55  -8.498   3.781   7.596
  396   2HG2  VAL  55          3HG2      VAL  55  -6.953   2.981   7.886
  397   3HG2  VAL  55          2HG2      VAL  55  -7.213   4.631   8.456
  398    H    VAL  56           HN       VAL  56  -7.267   7.692   4.858
  399    HA   VAL  56           HA       VAL  56  -7.478   7.233   2.015
  400    HB   VAL  56           HB       VAL  56  -6.010   9.340   3.632
  401   1HG1  VAL  56          2HG1      VAL  56  -6.314   8.859   0.769
  402   2HG1  VAL  56          1HG1      VAL  56  -6.948  10.436   1.243
  403   3HG1  VAL  56          3HG1      VAL  56  -5.273  10.013   1.603
  404   1HG2  VAL  56          3HG2      VAL  56  -8.801   8.760   3.292
  405   2HG2  VAL  56          2HG2      VAL  56  -8.063  10.099   4.171
  406   3HG2  VAL  56          1HG2      VAL  56  -8.436  10.268   2.456
  407    H    TYR  57           HN       TYR  57  -5.742   7.024   0.480
  408    HA   TYR  57           HA       TYR  57  -3.508   5.412   1.395
  409   1HB   TYR  57           HB2      TYR  57  -4.124   6.696  -1.278
  410   2HB   TYR  57           HB1      TYR  57  -2.991   5.370  -1.007
  411    HD1  TYR  57           HD1      TYR  57  -4.263   3.591   0.810
  412    HD2  TYR  57           HD2      TYR  57  -6.045   5.894  -2.345
  413    HE1  TYR  57           HE1      TYR  57  -6.125   1.968   0.682
  414    HE2  TYR  57           HE2      TYR  57  -7.907   4.270  -2.476
  415    HH   TYR  57           HH       TYR  57  -7.853   1.255  -0.680
  416    H    ASN  58           HN       ASN  58  -3.926   8.755   0.315
  417    HA   ASN  58           HA       ASN  58  -2.432  10.592   0.362
  418   1HB   ASN  58           HB2      ASN  58  -2.420   9.178   2.775
  419   2HB   ASN  58           HB1      ASN  58  -0.711   9.425   2.411
  420   1HD2  ASN  58          1HD2      ASN  58   0.085  11.642   2.315
  421   2HD2  ASN  58          2HD2      ASN  58  -0.837  12.942   2.899
  422    H    THR  59           HN       THR  59  -1.695   9.331  -1.789
  423    HA   THR  59           HA       THR  59   1.024   8.193  -1.581
  424    HB   THR  59           HB       THR  59   0.675   7.768  -3.972
  425    HG1  THR  59           HG1      THR  59  -1.263   9.709  -3.570
  426   1HG2  THR  59          1HG2      THR  59  -0.435   6.299  -2.279
  427   2HG2  THR  59          3HG2      THR  59  -1.891   7.281  -2.437
  428   3HG2  THR  59          2HG2      THR  59  -1.297   6.357  -3.817
  429    H    ARG  60           HN       ARG  60   2.870   9.182  -2.564
  430    HA   ARG  60           HA       ARG  60   2.540  12.005  -3.495
  431   1HB   ARG  60           HB2      ARG  60   3.080  11.924  -1.069
  432   2HB   ARG  60           HB1      ARG  60   4.528  10.986  -1.439
  433   1HG   ARG  60           HG2      ARG  60   5.612  12.949  -1.675
  434   2HG   ARG  60           HG1      ARG  60   4.677  13.189  -3.152
  435   1HD   ARG  60           HD2      ARG  60   3.830  15.039  -2.126
  436   2HD   ARG  60           HD1      ARG  60   2.899  13.911  -1.119
  437    HE   ARG  60           HE       ARG  60   5.581  15.011  -0.376
  438   1HH1  ARG  60          1HH1      ARG  60   2.671  15.460   0.814
  439   2HH1  ARG  60          2HH1      ARG  60   2.864  14.618   2.316
  440   1HH2  ARG  60          1HH2      ARG  60   5.807  13.050   1.367
  441   2HH2  ARG  60          2HH2      ARG  60   4.638  13.254   2.629

  No H/Q in entry =         441
  Start of MODEL    7
    1    H1   MET   1           HT3      MET   1   0.732 -16.315 -17.774
    2    H2   MET   1           HT2      MET   1  -0.561 -17.222 -17.147
    3    H3   MET   1           HT1      MET   1   0.729 -16.769 -16.140
    4    HA   MET   1           HA       MET   1   1.051 -19.058 -16.672
    5   1HB   MET   1           HB2      MET   1   0.097 -17.969 -19.270
    6   2HB   MET   1           HB1      MET   1   1.260 -19.291 -19.366
    7   1HG   MET   1           HG2      MET   1  -0.306 -20.375 -17.526
    8   2HG   MET   1           HG1      MET   1  -1.506 -19.282 -18.215
    9   1HE   MET   1           HE1      MET   1  -0.478 -22.544 -18.043
   10   2HE   MET   1           HE3      MET   1  -2.197 -22.317 -18.394
   11   3HE   MET   1           HE2      MET   1  -1.196 -23.291 -19.468
   12    H    GLU   2           HN       GLU   2   2.411 -17.767 -19.628
   13    HA   GLU   2           HA       GLU   2   5.122 -18.272 -18.752
   14   1HB   GLU   2           HB2      GLU   2   5.641 -17.262 -20.972
   15   2HB   GLU   2           HB1      GLU   2   4.356 -18.465 -21.077
   16   1HG   GLU   2           HG2      GLU   2   2.805 -16.926 -21.686
   17   2HG   GLU   2           HG1      GLU   2   3.387 -15.746 -20.511
   18    H    ASP   3           HN       ASP   3   6.753 -16.295 -19.252
   19    HA   ASP   3           HA       ASP   3   7.626 -14.301 -18.325
   20   1HB   ASP   3           HB2      ASP   3   5.414 -13.844 -19.946
   21   2HB   ASP   3           HB1      ASP   3   5.055 -12.905 -18.496
   22    H    GLU   4           HN       GLU   4   6.579 -12.345 -16.716
   23    HA   GLU   4           HA       GLU   4   5.104 -13.629 -14.482
   24   1HB   GLU   4           HB2      GLU   4   8.004 -13.075 -14.627
   25   2HB   GLU   4           HB1      GLU   4   7.222 -12.502 -13.154
   26   1HG   GLU   4           HG2      GLU   4   6.441 -15.222 -14.026
   27   2HG   GLU   4           HG1      GLU   4   8.111 -15.051 -13.485
   28    H    ASP   5           HN       ASP   5   4.102 -12.070 -13.126
   29    HA   ASP   5           HA       ASP   5   4.634  -9.188 -13.736
   30   1HB   ASP   5           HB2      ASP   5   2.279 -10.842 -14.311
   31   2HB   ASP   5           HB1      ASP   5   1.884  -9.381 -13.405
   32    H    VAL   6           HN       VAL   6   5.220  -8.358 -11.756
   33    HA   VAL   6           HA       VAL   6   3.916  -9.435  -9.292
   34    HB   VAL   6           HB       VAL   6   6.343  -7.648  -9.636
   35   1HG1  VAL   6          1HG1      VAL   6   5.067  -8.128  -7.364
   36   2HG1  VAL   6          3HG1      VAL   6   5.961  -9.646  -7.445
   37   3HG1  VAL   6          2HG1      VAL   6   6.828  -8.111  -7.421
   38   1HG2  VAL   6          1HG2      VAL   6   6.015 -10.629  -9.873
   39   2HG2  VAL   6          3HG2      VAL   6   6.971  -9.535 -10.873
   40   3HG2  VAL   6          2HG2      VAL   6   7.523  -9.957  -9.252
   41    HA   PRO   7           HA       PRO   7   1.601  -5.648  -8.959
   42   1HB   PRO   7           HB2      PRO   7   1.181  -5.681  -6.242
   43   2HB   PRO   7           HB1      PRO   7   0.274  -6.710  -7.372
   44   1HG   PRO   7           HG2      PRO   7   2.666  -7.382  -5.713
   45   2HG   PRO   7           HG1      PRO   7   1.180  -8.315  -5.965
   46   1HD   PRO   7           HD2      PRO   7   3.423  -8.924  -7.289
   47   2HD   PRO   7           HD1      PRO   7   1.834  -9.035  -8.081
   48    H    VAL   8           HN       VAL   8   1.962  -3.454  -7.894
   49    HA   VAL   8           HA       VAL   8   4.723  -3.233  -6.775
   50    HB   VAL   8           HB       VAL   8   3.691  -1.187  -8.696
   51   1HG1  VAL   8          1HG1      VAL   8   5.939  -1.239  -7.333
   52   2HG1  VAL   8          3HG1      VAL   8   6.453  -2.367  -8.591
   53   3HG1  VAL   8          2HG1      VAL   8   5.954  -0.729  -9.021
   54   1HG2  VAL   8          2HG2      VAL   8   4.593  -3.987  -9.373
   55   2HG2  VAL   8          1HG2      VAL   8   3.240  -3.074 -10.041
   56   3HG2  VAL   8          3HG2      VAL   8   4.893  -2.655 -10.489
   57    H    CYS   9           HN       CYS   9   5.167  -1.494  -5.450
   58    HA   CYS   9           HA       CYS   9   2.885  -0.426  -3.952
   59   1HB   CYS   9           HB2      CYS   9   4.824  -1.170  -2.748
   60   2HB   CYS   9           HB1      CYS   9   5.904  -0.247  -3.792
   61    H    TRP  10           HN       TRP  10   1.868   1.341  -4.745
   62    HA   TRP  10           HA       TRP  10   2.919   3.106  -6.752
   63   1HB   TRP  10           HB2      TRP  10   0.854   4.388  -6.195
   64   2HB   TRP  10           HB1      TRP  10   0.548   2.665  -6.384
   65    HD1  TRP  10           HD1      TRP  10  -0.096   1.266  -4.238
   66    HE1  TRP  10           HE1      TRP  10  -0.844   1.959  -1.871
   67    HE3  TRP  10           HE3      TRP  10   1.171   6.216  -4.320
   68    HZ2  TRP  10           HZ2      TRP  10  -0.900   4.300  -0.229
   69    HZ3  TRP  10           HZ3      TRP  10   0.759   7.651  -2.343
   70    HH2  TRP  10           HH2      TRP  10  -0.274   6.701  -0.299
   71    H    ILE  11           HN       ILE  11   3.618   2.976  -3.430
   72    HA   ILE  11           HA       ILE  11   3.918   5.862  -3.013
   73    HB   ILE  11           HB       ILE  11   4.943   3.521  -1.384
   74   1HG1  ILE  11          2HG1      ILE  11   2.215   4.821  -1.560
   75   2HG1  ILE  11          1HG1      ILE  11   2.612   3.109  -1.708
   76   1HG2  ILE  11          1HG2      ILE  11   5.789   5.785  -0.779
   77   2HG2  ILE  11          3HG2      ILE  11   4.123   6.335  -0.602
   78   3HG2  ILE  11          2HG2      ILE  11   4.763   5.098   0.480
   79   1HD1  ILE  11          1HD1      ILE  11   3.486   3.282   0.708
   80   2HD1  ILE  11          3HD1      ILE  11   2.632   4.823   0.778
   81   3HD1  ILE  11          2HD1      ILE  11   1.738   3.331   0.484
   82    H    CYS  12           HN       CYS  12   6.264   3.123  -3.114
   83    HA   CYS  12           HA       CYS  12   8.403   5.128  -3.691
   84   1HB   CYS  12           HB2      CYS  12   9.891   3.475  -2.798
   85   2HB   CYS  12           HB1      CYS  12   8.476   3.476  -1.746
   86    H    ASN  13           HN       ASN  13   6.412   2.968  -5.340
   87    HA   ASN  13           HA       ASN  13   6.478   2.227  -7.589
   88   1HB   ASN  13           HB2      ASN  13   8.226   4.488  -7.326
   89   2HB   ASN  13           HB1      ASN  13   8.977   3.328  -8.423
   90   1HD2  ASN  13          1HD2      ASN  13   5.463   3.852  -7.951
   91   2HD2  ASN  13          2HD2      ASN  13   5.166   4.360  -9.543
   92    H    GLU  14           HN       GLU  14   6.944   0.091  -6.498
   93    HA   GLU  14           HA       GLU  14   9.279  -1.189  -7.680
   94   1HB   GLU  14           HB2      GLU  14  10.385  -0.094  -5.822
   95   2HB   GLU  14           HB1      GLU  14   9.131  -0.626  -4.701
   96   1HG   GLU  14           HG2      GLU  14  10.445  -2.413  -4.277
   97   2HG   GLU  14           HG1      GLU  14  10.003  -2.991  -5.884
   98    H    GLU  15           HN       GLU  15   8.552  -3.265  -8.120
   99    HA   GLU  15           HA       GLU  15   6.038  -4.224  -7.236
  100   1HB   GLU  15           HB2      GLU  15   6.884  -6.397  -8.163
  101   2HB   GLU  15           HB1      GLU  15   7.105  -5.025  -9.248
  102   1HG   GLU  15           HG2      GLU  15   9.400  -4.909  -7.812
  103   2HG   GLU  15           HG1      GLU  15   9.107  -6.652  -7.833
  104    H    LEU  16           HN       LEU  16   5.418  -5.584  -5.577
  105    HA   LEU  16           HA       LEU  16   7.509  -6.168  -3.513
  106   1HB   LEU  16           HB2      LEU  16   5.521  -5.909  -1.927
  107   2HB   LEU  16           HB1      LEU  16   6.039  -4.437  -2.740
  108    HG   LEU  16           HG       LEU  16   3.873  -6.139  -3.958
  109   1HD1  LEU  16          2HD1      LEU  16   3.426  -5.553  -1.484
  110   2HD1  LEU  16          1HD1      LEU  16   3.323  -3.880  -2.038
  111   3HD1  LEU  16          3HD1      LEU  16   2.198  -5.088  -2.661
  112   1HD2  LEU  16          3HD2      LEU  16   5.161  -3.792  -4.723
  113   2HD2  LEU  16          2HD2      LEU  16   3.606  -4.358  -5.340
  114   3HD2  LEU  16          1HD2      LEU  16   3.658  -3.216  -3.998
  115    H    GLY  17           HN       GLY  17   5.223  -7.459  -5.649
  116   1HA   GLY  17           HA1      GLY  17   5.780 -10.177  -4.837
  117   2HA   GLY  17           HA2      GLY  17   4.688  -9.692  -6.124
  118    H    ASN  18           HN       ASN  18   4.295  -8.620  -2.754
  119    HA   ASN  18           HA       ASN  18   1.593  -9.003  -2.447
  120   1HB   ASN  18           HB2      ASN  18   1.608 -11.260  -3.159
  121   2HB   ASN  18           HB1      ASN  18   3.111 -11.615  -2.309
  122   1HD2  ASN  18          1HD2      ASN  18  -0.268 -10.570  -1.571
  123   2HD2  ASN  18          2HD2      ASN  18  -0.392 -11.478  -0.142
  124    H    GLU  19           HN       GLU  19   2.551  -7.280  -0.972
  125    HA   GLU  19           HA       GLU  19   3.875  -8.276   1.479
  126   1HB   GLU  19           HB2      GLU  19   3.063  -5.601   0.333
  127   2HB   GLU  19           HB1      GLU  19   3.617  -5.738   2.002
  128   1HG   GLU  19           HG2      GLU  19   5.247  -7.009  -0.170
  129   2HG   GLU  19           HG1      GLU  19   5.354  -5.265   0.070
  130    H    ARG  20           HN       ARG  20   2.493  -9.250   2.952
  131    HA   ARG  20           HA       ARG  20  -0.336  -8.861   3.041
  132   1HB   ARG  20           HB2      ARG  20   1.676  -9.781   5.122
  133   2HB   ARG  20           HB1      ARG  20  -0.069 -10.001   5.261
  134   1HG   ARG  20           HG2      ARG  20   1.090 -10.907   2.699
  135   2HG   ARG  20           HG1      ARG  20   1.610 -11.826   4.113
  136   1HD   ARG  20           HD2      ARG  20  -0.933 -11.853   4.734
  137   2HD   ARG  20           HD1      ARG  20  -1.176 -11.473   3.017
  138    HE   ARG  20           HE       ARG  20   0.408 -13.501   2.627
  139   1HH1  ARG  20          1HH1      ARG  20  -1.590 -15.136   2.473
  140   2HH1  ARG  20          2HH1      ARG  20  -1.837 -15.946   3.984
  141   1HH2  ARG  20          1HH2      ARG  20   0.039 -13.676   5.813
  142   2HH2  ARG  20          2HH2      ARG  20  -0.916 -15.120   5.874
  143    H    PHE  21           HN       PHE  21  -0.834  -6.628   3.135
  144    HA   PHE  21           HA       PHE  21  -0.489  -5.389   5.806
  145   1HB   PHE  21           HB2      PHE  21   1.470  -4.655   4.636
  146   2HB   PHE  21           HB1      PHE  21   0.550  -4.331   3.168
  147    HD1  PHE  21           HD1      PHE  21   1.556  -2.031   3.211
  148    HD2  PHE  21           HD2      PHE  21  -1.045  -3.454   6.315
  149    HE1  PHE  21           HE1      PHE  21   1.182   0.295   3.958
  150    HE2  PHE  21           HE2      PHE  21  -1.425  -1.120   7.066
  151    HZ   PHE  21           HZ       PHE  21  -0.312   0.757   5.887
  152    H    ARG  22           HN       ARG  22  -2.765  -5.362   6.094
  153    HA   ARG  22           HA       ARG  22  -4.603  -4.515   4.007
  154   1HB   ARG  22           HB2      ARG  22  -4.747  -4.943   7.003
  155   2HB   ARG  22           HB1      ARG  22  -6.153  -4.448   6.060
  156   1HG   ARG  22           HG2      ARG  22  -6.499  -6.591   5.478
  157   2HG   ARG  22           HG1      ARG  22  -4.930  -6.610   4.673
  158   1HD   ARG  22           HD2      ARG  22  -3.886  -7.075   6.951
  159   2HD   ARG  22           HD1      ARG  22  -5.534  -7.345   7.553
  160    HE   ARG  22           HE       ARG  22  -5.657  -9.320   6.229
  161   1HH1  ARG  22          1HH1      ARG  22  -2.508  -8.267   6.444
  162   2HH1  ARG  22          2HH1      ARG  22  -1.941  -9.067   5.017
  163   1HH2  ARG  22          1HH2      ARG  22  -5.111  -9.986   3.954
  164   2HH2  ARG  22          2HH2      ARG  22  -3.415 -10.040   3.606
  165    H    ALA  23           HN       ALA  23  -3.784  -2.407   3.340
  166    HA   ALA  23           HA       ALA  23  -4.033  -0.279   5.436
  167   1HB   ALA  23           HB1      ALA  23  -1.852  -0.894   4.054
  168   2HB   ALA  23           HB3      ALA  23  -2.625   0.109   2.825
  169   3HB   ALA  23           HB2      ALA  23  -2.247   0.788   4.409
  170    H    CYS  24           HN       CYS  24  -5.720  -1.612   2.922
  171    HA   CYS  24           HA       CYS  24  -7.685   0.394   2.746
  172   1HB   CYS  24           HB2      CYS  24  -6.530   2.020   1.687
  173   2HB   CYS  24           HB1      CYS  24  -5.192   0.942   1.327
  174    H    GLY  25           HN       GLY  25  -9.317  -0.138   1.211
  175   1HA   GLY  25           HA1      GLY  25 -10.455  -2.259   0.539
  176   2HA   GLY  25           HA2      GLY  25  -8.911  -2.775  -0.143
  177    H    CYS  26           HN       CYS  26  -8.046  -0.753  -1.633
  178    HA   CYS  26           HA       CYS  26 -10.071   0.633  -3.169
  179   1HB   CYS  26           HB2      CYS  26  -7.161   0.333  -3.008
  180   2HB   CYS  26           HB1      CYS  26  -7.729   0.534  -4.665
  181    H    THR  27           HN       THR  27  -9.253   0.161  -5.819
  182    HA   THR  27           HA       THR  27  -9.974  -2.725  -6.215
  183    HB   THR  27           HB       THR  27 -11.872  -1.143  -6.523
  184    HG1  THR  27           HG1      THR  27 -12.409  -2.537  -7.972
  185   1HG2  THR  27          2HG2      THR  27 -10.068   0.008  -8.669
  186   2HG2  THR  27          1HG2      THR  27 -11.775   0.405  -8.476
  187   3HG2  THR  27          3HG2      THR  27 -10.623   0.833  -7.212
  188    H    GLY  28           HN       GLY  28  -7.287  -1.308  -6.370
  189   1HA   GLY  28           HA1      GLY  28  -6.528  -0.805  -9.036
  190   2HA   GLY  28           HA2      GLY  28  -6.396  -2.545  -8.808
  191    H    GLU  29           HN       GLU  29  -4.545   0.023  -8.943
  192    HA   GLU  29           HA       GLU  29  -2.164  -0.952  -8.027
  193   1HB   GLU  29           HB2      GLU  29  -2.279   1.099  -9.211
  194   2HB   GLU  29           HB1      GLU  29  -3.341   1.827  -8.007
  195   1HG   GLU  29           HG2      GLU  29  -1.151   2.750  -7.654
  196   2HG   GLU  29           HG1      GLU  29  -1.438   1.606  -6.341
  197    H    LEU  30           HN       LEU  30  -4.072   1.283  -5.954
  198    HA   LEU  30           HA       LEU  30  -2.532   1.142  -3.653
  199   1HB   LEU  30           HB2      LEU  30  -4.818   2.327  -4.365
  200   2HB   LEU  30           HB1      LEU  30  -5.500   1.046  -3.364
  201    HG   LEU  30           HG       LEU  30  -5.087   2.932  -1.915
  202   1HD1  LEU  30          3HD1      LEU  30  -4.395   0.601  -1.158
  203   2HD1  LEU  30          2HD1      LEU  30  -2.737   1.065  -1.541
  204   3HD1  LEU  30          1HD1      LEU  30  -3.632   1.935  -0.293
  205   1HD2  LEU  30          3HD2      LEU  30  -2.509   3.025  -3.437
  206   2HD2  LEU  30          2HD2      LEU  30  -3.555   4.350  -2.926
  207   3HD2  LEU  30          1HD2      LEU  30  -2.495   3.562  -1.755
  208    H    GLU  31           HN       GLU  31  -4.469  -1.462  -4.955
  209    HA   GLU  31           HA       GLU  31  -5.022  -2.943  -2.593
  210   1HB   GLU  31           HB2      GLU  31  -4.362  -3.706  -5.448
  211   2HB   GLU  31           HB1      GLU  31  -4.824  -4.908  -4.246
  212   1HG   GLU  31           HG2      GLU  31  -6.946  -3.772  -3.858
  213   2HG   GLU  31           HG1      GLU  31  -6.483  -2.473  -4.958
  214    H    ASN  32           HN       ASN  32  -2.016  -2.703  -4.502
  215    HA   ASN  32           HA       ASN  32  -0.675  -4.445  -2.464
  216   1HB   ASN  32           HB2      ASN  32  -0.042  -3.706  -5.338
  217   2HB   ASN  32           HB1      ASN  32   1.019  -4.676  -4.320
  218   1HD2  ASN  32          1HD2      ASN  32  -1.295  -4.993  -6.664
  219   2HD2  ASN  32          2HD2      ASN  32  -1.914  -6.521  -6.255
  220    H    VAL  33           HN       VAL  33   0.551  -3.281  -1.022
  221    HA   VAL  33           HA       VAL  33   2.159  -1.006  -2.044
  222    HB   VAL  33           HB       VAL  33   0.093   0.045  -1.375
  223   1HG1  VAL  33          1HG1      VAL  33  -0.397  -2.068   0.173
  224   2HG1  VAL  33          3HG1      VAL  33   0.295  -1.023   1.414
  225   3HG1  VAL  33          2HG1      VAL  33  -1.131  -0.502   0.516
  226   1HG2  VAL  33          1HG2      VAL  33   2.452   0.840  -0.527
  227   2HG2  VAL  33          3HG2      VAL  33   0.995   1.621   0.092
  228   3HG2  VAL  33          2HG2      VAL  33   1.817   0.391   1.055
  229    H    HIS  34           HN       HIS  34   4.109  -0.897  -0.979
  230    HA   HIS  34           HA       HIS  34   5.007  -2.959   0.785
  231   1HB   HIS  34           HB2      HIS  34   5.900  -0.289  -0.193
  232   2HB   HIS  34           HB1      HIS  34   6.790  -1.003   1.150
  233    HD2  HIS  34           HD2      HIS  34   6.928  -4.135   0.123
  234    HE1  HIS  34           HE1      HIS  34   8.494  -2.531  -3.467
  235    HE2  HIS  34           HE2      HIS  34   8.231  -4.609  -2.067
  236    H    ARG  35           HN       ARG  35   4.550  -3.166   2.958
  237    HA   ARG  35           HA       ARG  35   3.098  -1.188   4.464
  238   1HB   ARG  35           HB2      ARG  35   2.993  -3.567   4.949
  239   2HB   ARG  35           HB1      ARG  35   4.735  -3.627   5.218
  240   1HG   ARG  35           HG2      ARG  35   4.583  -2.695   7.302
  241   2HG   ARG  35           HG1      ARG  35   3.237  -1.650   6.847
  242   1HD   ARG  35           HD2      ARG  35   1.783  -3.111   7.776
  243   2HD   ARG  35           HD1      ARG  35   2.372  -4.392   6.698
  244    HE   ARG  35           HE       ARG  35   3.530  -3.756   9.377
  245   1HH1  ARG  35          1HH1      ARG  35   4.606  -5.142   6.574
  246   2HH1  ARG  35          2HH1      ARG  35   4.883  -6.723   7.225
  247   1HH2  ARG  35          1HH2      ARG  35   3.289  -6.054  10.231
  248   2HH2  ARG  35          2HH2      ARG  35   4.137  -7.240   9.295
  249    H    SER  36           HN       SER  36   6.424  -1.536   3.692
  250    HA   SER  36           HA       SER  36   7.535  -0.248   6.050
  251   1HB   SER  36           HB2      SER  36   8.379  -1.520   3.610
  252   2HB   SER  36           HB1      SER  36   9.237   0.008   3.792
  253    HG   SER  36           HG       SER  36  10.200  -0.732   5.537
  254    H    CYS  37           HN       CYS  37   7.326   0.911   2.649
  255    HA   CYS  37           HA       CYS  37   7.832   3.649   3.515
  256   1HB   CYS  37           HB2      CYS  37   7.312   4.087   1.019
  257   2HB   CYS  37           HB1      CYS  37   8.721   3.116   1.415
  258    HG   CYS  37           HG       CYS  37   6.253   2.139  -0.085
  259    H    LEU  38           HN       LEU  38   4.901   1.786   2.946
  260    HA   LEU  38           HA       LEU  38   3.202   4.132   2.567
  261   1HB   LEU  38           HB2      LEU  38   2.441   2.018   1.734
  262   2HB   LEU  38           HB1      LEU  38   2.708   1.231   3.289
  263    HG   LEU  38           HG       LEU  38   0.875   2.367   4.301
  264   1HD1  LEU  38          1HD1      LEU  38   1.428   4.596   3.311
  265   2HD1  LEU  38          3HD1      LEU  38   0.666   4.080   1.808
  266   3HD1  LEU  38          2HD1      LEU  38  -0.297   4.234   3.277
  267   1HD2  LEU  38          2HD2      LEU  38   0.438   0.660   2.270
  268   2HD2  LEU  38          1HD2      LEU  38  -0.882   1.427   3.153
  269   3HD2  LEU  38          3HD2      LEU  38  -0.359   2.085   1.602
  270    H    SER  39           HN       SER  39   3.504   1.829   5.303
  271    HA   SER  39           HA       SER  39   2.005   3.258   7.205
  272   1HB   SER  39           HB2      SER  39   2.928   0.945   7.386
  273   2HB   SER  39           HB1      SER  39   4.536   1.629   7.610
  274    HG   SER  39           HG       SER  39   3.998   1.730   9.635
  275    H    THR  40           HN       THR  40   5.434   3.636   6.303
  276    HA   THR  40           HA       THR  40   5.931   5.684   8.334
  277    HB   THR  40           HB       THR  40   7.589   4.038   7.315
  278    HG1  THR  40           HG1      THR  40   8.260   5.918   8.422
  279   1HG2  THR  40          2HG2      THR  40   6.670   4.585   4.954
  280   2HG2  THR  40          1HG2      THR  40   7.730   5.992   5.029
  281   3HG2  THR  40          3HG2      THR  40   8.410   4.368   5.136
  282    H    TRP  41           HN       TRP  41   5.129   5.616   4.873
  283    HA   TRP  41           HA       TRP  41   5.602   8.377   4.295
  284   1HB   TRP  41           HB2      TRP  41   5.298   6.860   2.498
  285   2HB   TRP  41           HB1      TRP  41   3.823   6.195   3.194
  286    HD1  TRP  41           HD1      TRP  41   5.135   9.473   1.642
  287    HE1  TRP  41           HE1      TRP  41   3.160  10.694   0.522
  288    HE3  TRP  41           HE3      TRP  41   1.294   6.385   2.997
  289    HZ2  TRP  41           HZ2      TRP  41   0.331  10.399   0.235
  290    HZ3  TRP  41           HZ3      TRP  41  -1.024   6.876   2.283
  291    HH2  TRP  41           HH2      TRP  41  -1.513   8.879   0.907
  292    H    LEU  42           HN       LEU  42   2.489   6.733   4.995
  293    HA   LEU  42           HA       LEU  42   0.926   9.092   5.264
  294   1HB   LEU  42           HB2      LEU  42  -0.569   7.536   6.573
  295   2HB   LEU  42           HB1      LEU  42  -0.037   6.875   5.029
  296    HG   LEU  42           HG       LEU  42   1.961   5.943   6.540
  297   1HD1  LEU  42          2HD1      LEU  42   0.652   7.155   8.517
  298   2HD1  LEU  42          1HD1      LEU  42  -0.269   5.652   8.506
  299   3HD1  LEU  42          3HD1      LEU  42   1.474   5.615   8.772
  300   1HD2  LEU  42          3HD2      LEU  42  -0.551   4.952   5.543
  301   2HD2  LEU  42          2HD2      LEU  42   0.974   4.086   5.737
  302   3HD2  LEU  42          1HD2      LEU  42  -0.176   4.158   7.072
  303    H    THR  43           HN       THR  43   2.911   7.323   7.622
  304    HA   THR  43           HA       THR  43   2.097   8.720   9.977
  305    HB   THR  43           HB       THR  43   4.613   7.315   9.060
  306    HG1  THR  43           HG1      THR  43   3.309   5.766   9.607
  307   1HG2  THR  43          2HG2      THR  43   4.325   9.140  11.280
  308   2HG2  THR  43          1HG2      THR  43   4.631   7.507  11.872
  309   3HG2  THR  43          3HG2      THR  43   5.759   8.262  10.746
  310    H    ILE  44           HN       ILE  44   4.625   9.406   7.563
  311    HA   ILE  44           HA       ILE  44   5.502  11.858   8.909
  312    HB   ILE  44           HB       ILE  44   6.019  10.666   6.162
  313   1HG1  ILE  44          2HG1      ILE  44   7.703  10.635   8.687
  314   2HG1  ILE  44          1HG1      ILE  44   6.726   9.279   8.123
  315   1HG2  ILE  44          1HG2      ILE  44   6.539  13.258   7.046
  316   2HG2  ILE  44          3HG2      ILE  44   8.065  12.412   7.299
  317   3HG2  ILE  44          2HG2      ILE  44   7.330  12.446   5.695
  318   1HD1  ILE  44          3HD1      ILE  44   8.155   9.940   5.863
  319   2HD1  ILE  44          2HD1      ILE  44   9.326  10.243   7.147
  320   3HD1  ILE  44          1HD1      ILE  44   8.585   8.651   6.987
  321    H    SER  45           HN       SER  45   3.602  11.028   6.002
  322    HA   SER  45           HA       SER  45   3.048  13.801   5.304
  323   1HB   SER  45           HB2      SER  45   2.289  12.784   3.415
  324   2HB   SER  45           HB1      SER  45   2.919  11.297   4.116
  325    HG   SER  45           HG       SER  45   0.930  10.659   4.216
  326    H    ARG  46           HN       ARG  46   1.965  11.874   7.812
  327    HA   ARG  46           HA       ARG  46   0.228  12.210   9.379
  328   1HB   ARG  46           HB2      ARG  46   0.852  14.623   8.672
  329   2HB   ARG  46           HB1      ARG  46  -0.600  14.558   7.672
  330   1HG   ARG  46           HG2      ARG  46  -1.362  13.544  10.191
  331   2HG   ARG  46           HG1      ARG  46  -0.387  14.977  10.522
  332   1HD   ARG  46           HD2      ARG  46  -2.126  15.552   8.302
  333   2HD   ARG  46           HD1      ARG  46  -3.092  14.910   9.646
  334    HE   ARG  46           HE       ARG  46  -1.054  16.900  10.402
  335   1HH1  ARG  46          1HH1      ARG  46  -3.042  16.809  12.338
  336   2HH1  ARG  46          2HH1      ARG  46  -4.245  17.961  11.862
  337   1HH2  ARG  46          1HH2      ARG  46  -3.152  18.141   8.576
  338   2HH2  ARG  46          2HH2      ARG  46  -4.306  18.716   9.732
  339    H    ASN  47           HN       ASN  47  -0.355  10.231   7.669
  340    HA   ASN  47           HA       ASN  47  -3.173  10.795   6.802
  341   1HB   ASN  47           HB2      ASN  47  -0.910   9.267   5.512
  342   2HB   ASN  47           HB1      ASN  47  -2.588   8.962   5.063
  343   1HD2  ASN  47          1HD2      ASN  47  -2.833  10.013   3.065
  344   2HD2  ASN  47          2HD2      ASN  47  -2.417  11.634   2.778
  345    H    THR  48           HN       THR  48  -4.673   9.347   7.618
  346    HA   THR  48           HA       THR  48  -3.598   7.006   9.153
  347    HB   THR  48           HB       THR  48  -5.478   7.347  10.622
  348    HG1  THR  48           HG1      THR  48  -7.001   7.806   8.987
  349   1HG2  THR  48          2HG2      THR  48  -3.534   9.295  10.161
  350   2HG2  THR  48          1HG2      THR  48  -5.043  10.202  10.263
  351   3HG2  THR  48          3HG2      THR  48  -4.552   9.155  11.595
  352    H    ALA  49           HN       ALA  49  -5.520   7.942   6.455
  353    HA   ALA  49           HA       ALA  49  -6.270   5.110   6.018
  354   1HB   ALA  49           HB1      ALA  49  -8.658   5.779   5.713
  355   2HB   ALA  49           HB2      ALA  49  -8.238   7.407   6.245
  356   3HB   ALA  49           HB3      ALA  49  -8.087   6.049   7.359
  357    H    CYS  50           HN       CYS  50  -6.586   4.628   3.837
  358    HA   CYS  50           HA       CYS  50  -5.292   6.128   1.835
  359   1HB   CYS  50           HB2      CYS  50  -5.915   3.751   1.715
  360   2HB   CYS  50           HB1      CYS  50  -7.622   4.185   1.657
  361    HG   CYS  50           HG       CYS  50  -5.704   4.246  -0.704
  362    H    GLN  51           HN       GLN  51  -5.856   8.021   0.834
  363    HA   GLN  51           HA       GLN  51  -8.472   9.252   1.328
  364   1HB   GLN  51           HB2      GLN  51  -7.418  11.138   0.163
  365   2HB   GLN  51           HB1      GLN  51  -6.283  10.449   1.324
  366   1HG   GLN  51           HG2      GLN  51  -5.998   9.023  -1.136
  367   2HG   GLN  51           HG1      GLN  51  -5.946  10.749  -1.497
  368   1HE2  GLN  51          1HE2      GLN  51  -4.699  11.790   0.786
  369   2HE2  GLN  51          2HE2      GLN  51  -3.137  11.142   0.934
  370    H    ILE  52           HN       ILE  52  -7.742   6.831  -0.690
  371    HA   ILE  52           HA       ILE  52  -9.098   7.949  -3.100
  372    HB   ILE  52           HB       ILE  52  -7.624   5.352  -2.553
  373   1HG1  ILE  52          2HG1      ILE  52  -6.790   7.775  -4.175
  374   2HG1  ILE  52          1HG1      ILE  52  -6.267   7.476  -2.518
  375   1HG2  ILE  52          3HG2      ILE  52  -9.351   5.188  -4.351
  376   2HG2  ILE  52          2HG2      ILE  52  -8.569   6.532  -5.182
  377   3HG2  ILE  52          1HG2      ILE  52  -7.708   5.008  -4.968
  378   1HD1  ILE  52          2HD1      ILE  52  -5.644   5.088  -3.581
  379   2HD1  ILE  52          1HD1      ILE  52  -5.489   6.081  -5.031
  380   3HD1  ILE  52          3HD1      ILE  52  -4.522   6.449  -3.602
  381    H    CYS  53           HN       CYS  53  -9.390   5.373  -0.661
  382    HA   CYS  53           HA       CYS  53 -12.170   4.846  -1.668
  383   1HB   CYS  53           HB2      CYS  53 -11.790   2.588  -0.653
  384   2HB   CYS  53           HB1      CYS  53 -10.624   2.966  -1.922
  385    HG   CYS  53           HG       CYS  53  -9.029   2.321  -0.087
  386    H    GLY  54           HN       GLY  54 -10.218   5.867   1.000
  387   1HA   GLY  54           HA1      GLY  54 -12.652   6.274   2.621
  388   2HA   GLY  54           HA2      GLY  54 -11.057   6.945   2.964
  389    H    VAL  55           HN       VAL  55  -9.767   4.271   2.596
  390    HA   VAL  55           HA       VAL  55 -10.876   2.791   4.946
  391    HB   VAL  55           HB       VAL  55  -8.875   2.019   2.797
  392   1HG1  VAL  55          2HG1      VAL  55 -10.305   0.361   4.898
  393   2HG1  VAL  55          1HG1      VAL  55  -9.259  -0.278   3.630
  394   3HG1  VAL  55          3HG1      VAL  55  -8.585   0.753   4.892
  395   1HG2  VAL  55          2HG2      VAL  55 -11.485   2.460   2.359
  396   2HG2  VAL  55          1HG2      VAL  55 -10.622   1.136   1.577
  397   3HG2  VAL  55          3HG2      VAL  55 -11.602   0.825   3.009
  398    H    VAL  56           HN       VAL  56  -9.475   2.253   6.698
  399    HA   VAL  56           HA       VAL  56  -7.306   4.156   7.186
  400    HB   VAL  56           HB       VAL  56  -8.380   1.778   8.734
  401   1HG1  VAL  56          2HG1      VAL  56  -6.182   3.681   9.187
  402   2HG1  VAL  56          1HG1      VAL  56  -7.318   3.569  10.532
  403   3HG1  VAL  56          3HG1      VAL  56  -6.494   2.122   9.951
  404   1HG2  VAL  56          2HG2      VAL  56  -9.441   4.390   8.182
  405   2HG2  VAL  56          1HG2      VAL  56 -10.128   3.124   9.200
  406   3HG2  VAL  56          3HG2      VAL  56  -9.016   4.305   9.891
  407    H    TYR  57           HN       TYR  57  -5.075   3.585   7.481
  408    HA   TYR  57           HA       TYR  57  -4.094   1.457   5.782
  409   1HB   TYR  57           HB2      TYR  57  -2.730   3.208   7.847
  410   2HB   TYR  57           HB1      TYR  57  -1.906   2.274   6.598
  411    HD1  TYR  57           HD1      TYR  57  -2.878   5.478   7.352
  412    HD2  TYR  57           HD2      TYR  57  -3.213   2.611   4.176
  413    HE1  TYR  57           HE1      TYR  57  -3.251   7.316   5.734
  414    HE2  TYR  57           HE2      TYR  57  -3.586   4.440   2.558
  415    HH   TYR  57           HH       TYR  57  -3.802   7.830   3.633
  416    H    ASN  58           HN       ASN  58  -4.371   1.915   9.282
  417    HA   ASN  58           HA       ASN  58  -4.126   0.385  11.070
  418   1HB   ASN  58           HB2      ASN  58  -5.745  -0.634   9.025
  419   2HB   ASN  58           HB1      ASN  58  -4.665  -1.967   9.435
  420   1HD2  ASN  58          1HD2      ASN  58  -7.589  -0.573  10.312
  421   2HD2  ASN  58          2HD2      ASN  58  -7.691  -1.150  11.905
  422    H    THR  59           HN       THR  59  -1.660   0.951  10.479
  423    HA   THR  59           HA       THR  59  -0.158  -1.357   9.413
  424    HB   THR  59           HB       THR  59   1.686   0.161   9.495
  425    HG1  THR  59           HG1      THR  59   1.660   1.970  10.799
  426   1HG2  THR  59          1HG2      THR  59  -0.350   0.754   7.997
  427   2HG2  THR  59          3HG2      THR  59  -0.625   2.062   9.147
  428   3HG2  THR  59          2HG2      THR  59   0.887   1.986   8.242
  429    H    ARG  60           HN       ARG  60   1.491  -2.446  10.714
  430    HA   ARG  60           HA       ARG  60   1.108  -2.205  13.676
  431   1HB   ARG  60           HB2      ARG  60  -0.055  -4.142  12.256
  432   2HB   ARG  60           HB1      ARG  60   1.546  -4.870  12.385
  433   1HG   ARG  60           HG2      ARG  60   1.354  -5.222  14.634
  434   2HG   ARG  60           HG1      ARG  60   0.451  -3.729  14.893
  435   1HD   ARG  60           HD2      ARG  60  -0.991  -5.768  13.302
  436   2HD   ARG  60           HD1      ARG  60  -0.693  -6.209  14.995
  437    HE   ARG  60           HE       ARG  60  -2.204  -3.811  14.085
  438   1HH1  ARG  60          1HH1      ARG  60  -1.722  -2.429  16.200
  439   2HH1  ARG  60          2HH1      ARG  60  -2.340  -3.218  17.613
  440   1HH2  ARG  60          1HH2      ARG  60  -2.666  -6.306  16.072
  441   2HH2  ARG  60          2HH2      ARG  60  -2.873  -5.412  17.541

  No H/Q in entry =         441
  Start of MODEL    8
    1    H1   MET   1           HT3      MET   1  -3.583   3.244 -23.758
    2    H2   MET   1           HT2      MET   1  -4.626   3.547 -25.064
    3    H3   MET   1           HT1      MET   1  -5.262   3.145 -23.541
    4    HA   MET   1           HA       MET   1  -4.928   0.936 -23.815
    5   1HB   MET   1           HB2      MET   1  -4.669   1.941 -26.666
    6   2HB   MET   1           HB1      MET   1  -5.354   0.398 -26.153
    7   1HG   MET   1           HG2      MET   1  -6.624   2.619 -24.773
    8   2HG   MET   1           HG1      MET   1  -6.752   2.799 -26.523
    9   1HE   MET   1           HE2      MET   1  -7.138   1.007 -23.483
   10   2HE   MET   1           HE1      MET   1  -8.693   0.187 -23.591
   11   3HE   MET   1           HE3      MET   1  -7.205  -0.672 -24.013
   12    H    GLU   2           HN       GLU   2  -2.395   2.909 -25.221
   13    HA   GLU   2           HA       GLU   2  -0.617   0.803 -26.042
   14   1HB   GLU   2           HB2      GLU   2  -0.270   3.690 -25.196
   15   2HB   GLU   2           HB1      GLU   2   1.061   2.716 -25.822
   16   1HG   GLU   2           HG2      GLU   2  -1.421   2.643 -27.432
   17   2HG   GLU   2           HG1      GLU   2  -0.590   4.198 -27.400
   18    H    ASP   3           HN       ASP   3   0.180   3.024 -23.401
   19    HA   ASP   3           HA       ASP   3   0.315   0.971 -21.350
   20   1HB   ASP   3           HB2      ASP   3   2.404   1.124 -23.268
   21   2HB   ASP   3           HB1      ASP   3   3.054   1.775 -21.763
   22    H    GLU   4           HN       GLU   4   1.457   1.877 -19.360
   23    HA   GLU   4           HA       GLU   4   1.906   4.796 -19.330
   24   1HB   GLU   4           HB2      GLU   4   0.071   5.188 -17.751
   25   2HB   GLU   4           HB1      GLU   4  -0.567   4.439 -19.216
   26   1HG   GLU   4           HG2      GLU   4  -0.333   2.199 -18.049
   27   2HG   GLU   4           HG1      GLU   4   0.014   3.092 -16.568
   28    H    ASP   5           HN       ASP   5   1.730   5.169 -16.568
   29    HA   ASP   5           HA       ASP   5   4.024   3.540 -15.630
   30   1HB   ASP   5           HB2      ASP   5   3.326   6.200 -15.501
   31   2HB   ASP   5           HB1      ASP   5   2.859   5.626 -13.899
   32    H    VAL   6           HN       VAL   6   3.106   1.542 -14.989
   33    HA   VAL   6           HA       VAL   6   0.743   1.526 -13.208
   34    HB   VAL   6           HB       VAL   6   2.503  -0.728 -14.224
   35   1HG1  VAL   6          3HG1      VAL   6  -0.337  -0.619 -13.164
   36   2HG1  VAL   6          2HG1      VAL   6   0.394  -2.044 -13.903
   37   3HG1  VAL   6          1HG1      VAL   6   1.046  -1.400 -12.396
   38   1HG2  VAL   6          2HG2      VAL   6   0.586   1.011 -15.593
   39   2HG2  VAL   6          1HG2      VAL   6   1.731  -0.146 -16.272
   40   3HG2  VAL   6          3HG2      VAL   6   0.152  -0.694 -15.711
   41    HA   PRO   7           HA       PRO   7   3.549   1.600  -9.731
   42   1HB   PRO   7           HB2      PRO   7   1.617   1.499  -7.803
   43   2HB   PRO   7           HB1      PRO   7   2.022   2.986  -8.683
   44   1HG   PRO   7           HG2      PRO   7  -0.236   1.097  -9.092
   45   2HG   PRO   7           HG1      PRO   7  -0.213   2.864  -9.190
   46   1HD   PRO   7           HD2      PRO   7  -0.180   1.239 -11.378
   47   2HD   PRO   7           HD1      PRO   7   0.542   2.864 -11.355
   48    H    VAL   8           HN       VAL   8   4.077   0.066  -7.990
   49    HA   VAL   8           HA       VAL   8   2.813  -2.630  -8.330
   50    HB   VAL   8           HB       VAL   8   5.742  -2.242  -7.765
   51   1HG1  VAL   8          3HG1      VAL   8   4.511  -4.477  -7.674
   52   2HG1  VAL   8          2HG1      VAL   8   4.313  -4.332  -9.421
   53   3HG1  VAL   8          1HG1      VAL   8   5.929  -4.424  -8.721
   54   1HG2  VAL   8          1HG2      VAL   8   4.350  -2.019 -10.448
   55   2HG2  VAL   8          3HG2      VAL   8   5.470  -0.870  -9.717
   56   3HG2  VAL   8          2HG2      VAL   8   6.059  -2.428 -10.294
   57    H    CYS   9           HN       CYS   9   2.425  -3.738  -6.428
   58    HA   CYS   9           HA       CYS   9   2.571  -2.295  -3.917
   59   1HB   CYS   9           HB2      CYS   9   0.772  -3.835  -4.337
   60   2HB   CYS   9           HB1      CYS   9   1.896  -5.134  -4.731
   61    H    TRP  10           HN       TRP  10   4.472  -2.036  -2.864
   62    HA   TRP  10           HA       TRP  10   6.866  -3.523  -3.325
   63   1HB   TRP  10           HB2      TRP  10   7.611  -2.274  -1.309
   64   2HB   TRP  10           HB1      TRP  10   6.731  -1.237  -2.432
   65    HD1  TRP  10           HD1      TRP  10   4.332  -0.381  -1.722
   66    HE1  TRP  10           HE1      TRP  10   3.100  -0.344   0.543
   67    HE3  TRP  10           HE3      TRP  10   7.282  -3.587   0.945
   68    HZ2  TRP  10           HZ2      TRP  10   3.333  -1.519   3.142
   69    HZ3  TRP  10           HZ3      TRP  10   6.755  -4.111   3.308
   70    HH2  TRP  10           HH2      TRP  10   4.786  -3.082   4.410
   71    H    ILE  11           HN       ILE  11   4.083  -4.369  -1.476
   72    HA   ILE  11           HA       ILE  11   5.477  -5.982   0.523
   73    HB   ILE  11           HB       ILE  11   2.578  -6.011  -0.369
   74   1HG1  ILE  11          2HG1      ILE  11   4.105  -4.224   1.539
   75   2HG1  ILE  11          1HG1      ILE  11   3.085  -3.742   0.183
   76   1HG2  ILE  11          2HG2      ILE  11   3.549  -7.858   1.151
   77   2HG2  ILE  11          1HG2      ILE  11   3.699  -6.593   2.371
   78   3HG2  ILE  11          3HG2      ILE  11   2.112  -7.011   1.723
   79   1HD1  ILE  11          2HD1      ILE  11   2.097  -5.150   2.682
   80   2HD1  ILE  11          1HD1      ILE  11   1.943  -3.422   2.369
   81   3HD1  ILE  11          3HD1      ILE  11   1.097  -4.582   1.344
   82    H    CYS  12           HN       CYS  12   3.373  -6.846  -2.272
   83    HA   CYS  12           HA       CYS  12   4.516  -9.600  -2.173
   84   1HB   CYS  12           HB2      CYS  12   2.580 -10.103  -3.638
   85   2HB   CYS  12           HB1      CYS  12   2.071  -9.283  -2.161
   86    H    ASN  13           HN       ASN  13   5.074  -6.693  -3.785
   87    HA   ASN  13           HA       ASN  13   6.442  -6.211  -5.659
   88   1HB   ASN  13           HB2      ASN  13   7.259  -8.653  -4.570
   89   2HB   ASN  13           HB1      ASN  13   7.075  -8.989  -6.293
   90   1HD2  ASN  13          1HD2      ASN  13   8.223  -7.405  -7.803
   91   2HD2  ASN  13          2HD2      ASN  13   9.675  -6.705  -7.269
   92    H    GLU  14           HN       GLU  14   4.086  -5.888  -6.550
   93    HA   GLU  14           HA       GLU  14   3.958  -7.160  -9.176
   94   1HB   GLU  14           HB2      GLU  14   3.040  -8.949  -7.818
   95   2HB   GLU  14           HB1      GLU  14   1.964  -7.825  -6.988
   96   1HG   GLU  14           HG2      GLU  14   0.461  -8.567  -8.548
   97   2HG   GLU  14           HG1      GLU  14   1.238  -7.341  -9.551
   98    H    GLU  15           HN       GLU  15   2.757  -5.853 -10.576
   99    HA   GLU  15           HA       GLU  15   2.058  -3.199  -9.855
  100   1HB   GLU  15           HB2      GLU  15   1.614  -5.089 -12.108
  101   2HB   GLU  15           HB1      GLU  15   0.555  -3.680 -12.055
  102   1HG   GLU  15           HG2      GLU  15   2.330  -2.789 -13.244
  103   2HG   GLU  15           HG1      GLU  15   2.850  -2.410 -11.601
  104    H    LEU  16           HN       LEU  16   0.160  -2.290  -9.081
  105    HA   LEU  16           HA       LEU  16  -2.026  -4.231  -8.426
  106   1HB   LEU  16           HB2      LEU  16  -2.504  -2.420  -6.640
  107   2HB   LEU  16           HB1      LEU  16  -1.065  -3.413  -6.428
  108    HG   LEU  16           HG       LEU  16  -0.818  -0.850  -7.966
  109   1HD1  LEU  16          1HD1      LEU  16  -2.116  -0.563  -5.720
  110   2HD1  LEU  16          3HD1      LEU  16  -0.557  -0.904  -4.968
  111   3HD1  LEU  16          2HD1      LEU  16  -0.736   0.487  -6.040
  112   1HD2  LEU  16          1HD2      LEU  16   0.998  -2.721  -7.401
  113   2HD2  LEU  16          3HD2      LEU  16   1.427  -1.009  -7.375
  114   3HD2  LEU  16          2HD2      LEU  16   1.076  -1.852  -5.868
  115    H    GLY  17           HN       GLY  17  -1.353  -1.963 -10.677
  116   1HA   GLY  17           HA1      GLY  17  -4.100  -1.614 -11.440
  117   2HA   GLY  17           HA2      GLY  17  -2.728  -0.779 -12.165
  118    H    ASN  18           HN       ASN  18  -2.168   0.030  -9.171
  119    HA   ASN  18           HA       ASN  18  -2.363   2.140  -8.110
  120   1HB   ASN  18           HB2      ASN  18  -3.089   2.738 -10.610
  121   2HB   ASN  18           HB1      ASN  18  -4.684   2.857  -9.866
  122   1HD2  ASN  18          1HD2      ASN  18  -1.457   4.301  -9.957
  123   2HD2  ASN  18          2HD2      ASN  18  -1.852   5.678  -9.047
  124    H    GLU  19           HN       GLU  19  -3.412  -0.043  -6.963
  125    HA   GLU  19           HA       GLU  19  -6.214  -0.138  -6.523
  126   1HB   GLU  19           HB2      GLU  19  -4.343  -1.773  -5.871
  127   2HB   GLU  19           HB1      GLU  19  -4.052  -0.724  -4.482
  128   1HG   GLU  19           HG2      GLU  19  -5.557  -2.419  -3.718
  129   2HG   GLU  19           HG1      GLU  19  -6.534  -0.968  -3.943
  130    H    ARG  20           HN       ARG  20  -7.257   1.751  -6.022
  131    HA   ARG  20           HA       ARG  20  -6.213   3.951  -4.559
  132   1HB   ARG  20           HB2      ARG  20  -8.669   3.068  -5.739
  133   2HB   ARG  20           HB1      ARG  20  -9.031   3.692  -4.129
  134   1HG   ARG  20           HG2      ARG  20  -8.914   5.765  -5.003
  135   2HG   ARG  20           HG1      ARG  20  -7.180   5.505  -5.198
  136   1HD   ARG  20           HD2      ARG  20  -7.867   6.034  -7.394
  137   2HD   ARG  20           HD1      ARG  20  -7.897   4.259  -7.408
  138    HE   ARG  20           HE       ARG  20 -10.411   5.067  -6.441
  139   1HH1  ARG  20          1HH1      ARG  20 -11.623   6.692  -7.870
  140   2HH1  ARG  20          2HH1      ARG  20 -11.603   6.275  -9.551
  141   1HH2  ARG  20          1HH2      ARG  20  -9.025   3.979  -9.221
  142   2HH2  ARG  20          2HH2      ARG  20 -10.131   4.738 -10.316
  143    H    PHE  21           HN       PHE  21  -5.190   3.288  -2.656
  144    HA   PHE  21           HA       PHE  21  -6.978   2.587  -0.391
  145   1HB   PHE  21           HB2      PHE  21  -6.290   0.429  -1.117
  146   2HB   PHE  21           HB1      PHE  21  -4.666   0.990  -1.507
  147    HD1  PHE  21           HD1      PHE  21  -3.552  -0.701  -0.166
  148    HD2  PHE  21           HD2      PHE  21  -6.391   1.997   1.595
  149    HE1  PHE  21           HE1      PHE  21  -2.783  -1.369   2.088
  150    HE2  PHE  21           HE2      PHE  21  -5.617   1.330   3.857
  151    HZ   PHE  21           HZ       PHE  21  -3.808  -0.353   4.105
  152    H    ARG  22           HN       ARG  22  -6.513   4.515   0.710
  153    HA   ARG  22           HA       ARG  22  -3.884   5.732   0.736
  154   1HB   ARG  22           HB2      ARG  22  -6.052   6.917   0.990
  155   2HB   ARG  22           HB1      ARG  22  -6.302   6.101   2.534
  156   1HG   ARG  22           HG2      ARG  22  -5.082   7.680   3.568
  157   2HG   ARG  22           HG1      ARG  22  -3.690   7.255   2.570
  158   1HD   ARG  22           HD2      ARG  22  -4.266   9.648   2.286
  159   2HD   ARG  22           HD1      ARG  22  -4.556   8.765   0.774
  160    HE   ARG  22           HE       ARG  22  -6.978   8.542   1.655
  161   1HH1  ARG  22          1HH1      ARG  22  -5.651  11.335   0.776
  162   2HH1  ARG  22          2HH1      ARG  22  -6.544  12.377   1.833
  163   1HH2  ARG  22          1HH2      ARG  22  -7.796   9.780   3.763
  164   2HH2  ARG  22          2HH2      ARG  22  -7.760  11.495   3.525
  165    H    ALA  23           HN       ALA  23  -2.244   4.556   1.700
  166    HA   ALA  23           HA       ALA  23  -2.686   3.716   4.536
  167   1HB   ALA  23           HB1      ALA  23  -2.767   1.920   2.632
  168   2HB   ALA  23           HB3      ALA  23  -1.016   2.123   2.606
  169   3HB   ALA  23           HB2      ALA  23  -1.819   1.581   4.080
  170    H    CYS  24           HN       CYS  24  -0.887   5.574   2.413
  171    HA   CYS  24           HA       CYS  24   0.994   6.505   4.282
  172   1HB   CYS  24           HB2      CYS  24   2.056   4.462   4.526
  173   2HB   CYS  24           HB1      CYS  24   1.683   3.949   2.887
  174    H    GLY  25           HN       GLY  25   2.837   7.684   3.179
  175   1HA   GLY  25           HA1      GLY  25   2.217   9.528   1.337
  176   2HA   GLY  25           HA2      GLY  25   2.462   8.139   0.277
  177    H    CYS  26           HN       CYS  26   4.631   6.877   1.278
  178    HA   CYS  26           HA       CYS  26   6.783   8.509   2.213
  179   1HB   CYS  26           HB2      CYS  26   6.437   5.860   0.848
  180   2HB   CYS  26           HB1      CYS  26   8.066   6.519   1.005
  181    H    THR  27           HN       THR  27   7.675   6.995  -0.755
  182    HA   THR  27           HA       THR  27   7.767   9.671  -2.107
  183    HB   THR  27           HB       THR  27   9.971   8.635  -3.054
  184    HG1  THR  27           HG1      THR  27   9.267   6.585  -1.901
  185   1HG2  THR  27          2HG2      THR  27   9.482   9.707  -0.291
  186   2HG2  THR  27          1HG2      THR  27  11.115   9.259  -0.784
  187   3HG2  THR  27          3HG2      THR  27  10.236  10.501  -1.673
  188    H    GLY  28           HN       GLY  28   6.935   6.319  -2.326
  189   1HA   GLY  28           HA1      GLY  28   7.095   6.136  -5.226
  190   2HA   GLY  28           HA2      GLY  28   5.459   6.471  -4.666
  191    H    GLU  29           HN       GLU  29   8.167   4.276  -3.800
  192    HA   GLU  29           HA       GLU  29   6.980   1.840  -4.415
  193   1HB   GLU  29           HB2      GLU  29   8.628   0.911  -2.981
  194   2HB   GLU  29           HB1      GLU  29   9.309   2.460  -3.478
  195   1HG   GLU  29           HG2      GLU  29   8.470   3.487  -1.383
  196   2HG   GLU  29           HG1      GLU  29   7.837   1.918  -0.881
  197    H    LEU  30           HN       LEU  30   6.620   3.630  -1.328
  198    HA   LEU  30           HA       LEU  30   4.661   1.670  -0.333
  199   1HB   LEU  30           HB2      LEU  30   6.505   3.241   0.842
  200   2HB   LEU  30           HB1      LEU  30   5.124   4.332   0.940
  201    HG   LEU  30           HG       LEU  30   5.203   2.989   2.964
  202   1HD1  LEU  30          2HD1      LEU  30   3.000   3.367   1.493
  203   2HD1  LEU  30          1HD1      LEU  30   3.031   1.603   1.465
  204   3HD1  LEU  30          3HD1      LEU  30   2.968   2.461   3.005
  205   1HD2  LEU  30          3HD2      LEU  30   5.533   0.757   0.988
  206   2HD2  LEU  30          2HD2      LEU  30   6.374   1.034   2.511
  207   3HD2  LEU  30          1HD2      LEU  30   4.720   0.420   2.515
  208    H    GLU  31           HN       GLU  31   4.682   4.740  -1.998
  209    HA   GLU  31           HA       GLU  31   2.161   5.814  -1.376
  210   1HB   GLU  31           HB2      GLU  31   4.085   5.817  -3.617
  211   2HB   GLU  31           HB1      GLU  31   2.437   6.246  -4.076
  212   1HG   GLU  31           HG2      GLU  31   2.457   7.858  -2.088
  213   2HG   GLU  31           HG1      GLU  31   4.198   7.587  -2.016
  214    H    ASN  32           HN       ASN  32   2.968   3.245  -3.743
  215    HA   ASN  32           HA       ASN  32   0.042   2.721  -4.071
  216   1HB   ASN  32           HB2      ASN  32   2.424   1.730  -5.666
  217   2HB   ASN  32           HB1      ASN  32   0.730   1.665  -6.144
  218   1HD2  ASN  32          1HD2      ASN  32   3.545   3.465  -6.552
  219   2HD2  ASN  32          2HD2      ASN  32   2.849   4.933  -7.042
  220    H    VAL  33           HN       VAL  33  -0.692   1.010  -2.852
  221    HA   VAL  33           HA       VAL  33   1.018  -1.401  -2.635
  222    HB   VAL  33           HB       VAL  33   1.681  -0.096  -0.721
  223   1HG1  VAL  33          2HG1      VAL  33  -0.259   1.454  -0.741
  224   2HG1  VAL  33          1HG1      VAL  33  -1.277   0.164  -0.101
  225   3HG1  VAL  33          3HG1      VAL  33   0.047   0.807   0.871
  226   1HG2  VAL  33          3HG2      VAL  33  -0.396  -2.161   0.049
  227   2HG2  VAL  33          2HG2      VAL  33   1.297  -2.485  -0.321
  228   3HG2  VAL  33          1HG2      VAL  33   0.871  -1.552   1.114
  229    H    HIS  34           HN       HIS  34  -0.201  -3.249  -2.582
  230    HA   HIS  34           HA       HIS  34  -2.980  -3.236  -3.230
  231   1HB   HIS  34           HB2      HIS  34  -0.845  -5.123  -2.427
  232   2HB   HIS  34           HB1      HIS  34  -2.497  -5.716  -2.251
  233    HD2  HIS  34           HD2      HIS  34  -3.886  -4.641  -4.980
  234    HE1  HIS  34           HE1      HIS  34  -0.529  -6.214  -7.019
  235    HE2  HIS  34           HE2      HIS  34  -2.901  -5.399  -7.255
  236    H    ARG  35           HN       ARG  35  -4.715  -2.928  -1.885
  237    HA   ARG  35           HA       ARG  35  -4.426  -2.549   0.967
  238   1HB   ARG  35           HB2      ARG  35  -6.116  -1.464  -0.502
  239   2HB   ARG  35           HB1      ARG  35  -6.867  -3.037  -0.773
  240   1HG   ARG  35           HG2      ARG  35  -7.468  -3.242   1.545
  241   2HG   ARG  35           HG1      ARG  35  -6.497  -1.835   1.980
  242   1HD   ARG  35           HD2      ARG  35  -8.447  -0.666   1.765
  243   2HD   ARG  35           HD1      ARG  35  -8.179  -0.830   0.018
  244    HE   ARG  35           HE       ARG  35  -9.437  -3.069   0.266
  245   1HH1  ARG  35          1HH1      ARG  35 -10.245  -0.058   1.618
  246   2HH1  ARG  35          2HH1      ARG  35 -11.692  -0.617   2.390
  247   1HH2  ARG  35          1HH2      ARG  35 -11.154  -3.945   1.575
  248   2HH2  ARG  35          2HH2      ARG  35 -12.207  -2.819   2.366
  249    H    SER  36           HN       SER  36  -4.816  -5.322  -1.025
  250    HA   SER  36           HA       SER  36  -6.200  -7.006   0.908
  251   1HB   SER  36           HB2      SER  36  -6.142  -7.206  -1.626
  252   2HB   SER  36           HB1      SER  36  -4.489  -7.792  -1.465
  253    HG   SER  36           HG       SER  36  -5.605  -9.281   0.170
  254    H    CYS  37           HN       CYS  37  -2.823  -7.064  -0.337
  255    HA   CYS  37           HA       CYS  37  -2.024  -8.829   1.861
  256   1HB   CYS  37           HB2      CYS  37   0.298  -8.395   0.792
  257   2HB   CYS  37           HB1      CYS  37  -0.902  -9.265  -0.149
  258    HG   CYS  37           HG       CYS  37  -0.150  -7.491  -1.796
  259    H    LEU  38           HN       LEU  38  -2.002  -5.350   1.364
  260    HA   LEU  38           HA       LEU  38   0.054  -4.884   3.407
  261   1HB   LEU  38           HB2      LEU  38  -0.146  -3.213   1.740
  262   2HB   LEU  38           HB1      LEU  38  -1.905  -3.196   1.846
  263    HG   LEU  38           HG       LEU  38  -1.861  -2.087   3.971
  264   1HD1  LEU  38          2HD1      LEU  38   0.685  -3.357   4.203
  265   2HD1  LEU  38          1HD1      LEU  38   0.930  -1.622   4.392
  266   3HD1  LEU  38          3HD1      LEU  38  -0.205  -2.471   5.440
  267   1HD2  LEU  38          1HD2      LEU  38  -1.015  -0.868   1.724
  268   2HD2  LEU  38          3HD2      LEU  38  -1.139  -0.021   3.266
  269   3HD2  LEU  38          2HD2      LEU  38   0.421  -0.637   2.721
  270    H    SER  39           HN       SER  39  -3.451  -4.119   3.275
  271    HA   SER  39           HA       SER  39  -3.862  -3.458   5.967
  272   1HB   SER  39           HB2      SER  39  -5.419  -3.460   3.900
  273   2HB   SER  39           HB1      SER  39  -5.757  -5.138   4.315
  274    HG   SER  39           HG       SER  39  -7.240  -3.685   5.283
  275    H    THR  40           HN       THR  40  -3.654  -6.662   4.453
  276    HA   THR  40           HA       THR  40  -4.304  -8.071   6.950
  277    HB   THR  40           HB       THR  40  -4.833  -8.772   4.544
  278    HG1  THR  40           HG1      THR  40  -4.399 -10.956   5.033
  279   1HG2  THR  40          1HG2      THR  40  -2.604  -8.225   3.626
  280   2HG2  THR  40          3HG2      THR  40  -1.893  -9.504   4.610
  281   3HG2  THR  40          2HG2      THR  40  -3.031  -9.909   3.325
  282    H    TRP  41           HN       TRP  41  -1.413  -7.193   5.094
  283    HA   TRP  41           HA       TRP  41   0.465  -8.855   6.485
  284   1HB   TRP  41           HB2      TRP  41   1.152  -7.873   4.451
  285   2HB   TRP  41           HB1      TRP  41   0.557  -6.280   4.911
  286    HD1  TRP  41           HD1      TRP  41   3.370  -8.765   5.764
  287    HE1  TRP  41           HE1      TRP  41   5.379  -7.439   6.685
  288    HE3  TRP  41           HE3      TRP  41   1.331  -4.079   5.947
  289    HZ2  TRP  41           HZ2      TRP  41   6.036  -4.752   7.404
  290    HZ3  TRP  41           HZ3      TRP  41   2.675  -2.159   6.752
  291    HH2  TRP  41           HH2      TRP  41   5.020  -2.488   7.482
  292    H    LEU  42           HN       LEU  42  -0.226  -5.353   6.919
  293    HA   LEU  42           HA       LEU  42   1.271  -4.992   9.298
  294   1HB   LEU  42           HB2      LEU  42  -0.353  -3.072   9.630
  295   2HB   LEU  42           HB1      LEU  42   0.384  -3.131   8.031
  296    HG   LEU  42           HG       LEU  42  -1.785  -4.643   7.537
  297   1HD1  LEU  42          2HD1      LEU  42  -2.509  -4.294   9.961
  298   2HD1  LEU  42          1HD1      LEU  42  -2.808  -2.612   9.527
  299   3HD1  LEU  42          3HD1      LEU  42  -3.711  -3.900   8.733
  300   1HD2  LEU  42          1HD2      LEU  42  -0.959  -1.938   7.103
  301   2HD2  LEU  42          3HD2      LEU  42  -2.026  -2.924   6.102
  302   3HD2  LEU  42          2HD2      LEU  42  -2.696  -1.942   7.405
  303    H    THR  43           HN       THR  43  -1.959  -6.328   8.786
  304    HA   THR  43           HA       THR  43  -2.835  -6.304  11.524
  305    HB   THR  43           HB       THR  43  -3.470  -8.088   9.149
  306    HG1  THR  43           HG1      THR  43  -5.184  -6.156  10.185
  307   1HG2  THR  43          3HG2      THR  43  -4.032  -9.028  11.459
  308   2HG2  THR  43          2HG2      THR  43  -5.157  -7.679  11.622
  309   3HG2  THR  43          1HG2      THR  43  -5.383  -8.866  10.338
  310    H    ILE  44           HN       ILE  44  -1.288  -8.856   9.543
  311    HA   ILE  44           HA       ILE  44  -1.007 -10.730  11.729
  312    HB   ILE  44           HB       ILE  44   0.321 -10.381   9.023
  313   1HG1  ILE  44          2HG1      ILE  44  -1.560 -12.592   9.761
  314   2HG1  ILE  44          1HG1      ILE  44  -2.233 -10.988   9.472
  315   1HG2  ILE  44          1HG2      ILE  44   0.803 -12.323  11.222
  316   2HG2  ILE  44          3HG2      ILE  44   0.665 -13.001   9.599
  317   3HG2  ILE  44          2HG2      ILE  44   1.888 -11.778   9.943
  318   1HD1  ILE  44          1HD1      ILE  44  -0.246 -11.848   7.470
  319   2HD1  ILE  44          3HD1      ILE  44  -1.716 -12.821   7.501
  320   3HD1  ILE  44          2HD1      ILE  44  -1.817 -11.080   7.240
  321    H    SER  45           HN       SER  45   1.130  -8.306  10.232
  322    HA   SER  45           HA       SER  45   3.378  -8.914  12.012
  323   1HB   SER  45           HB2      SER  45   2.988  -7.710   9.555
  324   2HB   SER  45           HB1      SER  45   3.295  -6.329  10.603
  325    HG   SER  45           HG       SER  45   4.970  -8.336   9.766
  326    H    ARG  46           HN       ARG  46   0.455  -7.311  12.422
  327    HA   ARG  46           HA       ARG  46  -0.341  -5.945  14.174
  328   1HB   ARG  46           HB2      ARG  46   2.068  -7.274  15.070
  329   2HB   ARG  46           HB1      ARG  46   1.958  -5.670  15.796
  330   1HG   ARG  46           HG2      ARG  46  -0.651  -6.730  15.896
  331   2HG   ARG  46           HG1      ARG  46   0.416  -8.043  16.396
  332   1HD   ARG  46           HD2      ARG  46   0.581  -7.056  18.430
  333   2HD   ARG  46           HD1      ARG  46   1.388  -5.680  17.651
  334    HE   ARG  46           HE       ARG  46  -0.671  -4.506  17.687
  335   1HH1  ARG  46          1HH1      ARG  46  -0.961  -7.258  19.536
  336   2HH1  ARG  46          2HH1      ARG  46  -2.683  -7.393  19.407
  337   1HH2  ARG  46          1HH2      ARG  46  -2.962  -4.933  16.979
  338   2HH2  ARG  46          2HH2      ARG  46  -3.816  -6.077  17.960
  339    H    ASN  47           HN       ASN  47  -0.093  -4.318  12.257
  340    HA   ASN  47           HA       ASN  47   1.676  -2.086  13.182
  341   1HB   ASN  47           HB2      ASN  47   1.390  -3.380  10.474
  342   2HB   ASN  47           HB1      ASN  47   1.923  -1.703  10.610
  343   1HD2  ASN  47          1HD2      ASN  47   4.032  -2.626   9.694
  344   2HD2  ASN  47          2HD2      ASN  47   5.137  -3.315  10.783
  345    H    THR  48           HN       THR  48   0.736  -0.021  12.915
  346    HA   THR  48           HA       THR  48  -2.103  -0.014  11.941
  347    HB   THR  48           HB       THR  48  -2.460   1.695  13.669
  348    HG1  THR  48           HG1      THR  48  -0.750   2.789  14.165
  349   1HG2  THR  48          3HG2      THR  48  -1.395  -0.985  14.252
  350   2HG2  THR  48          2HG2      THR  48  -1.317   0.129  15.617
  351   3HG2  THR  48          1HG2      THR  48  -2.864  -0.205  14.839
  352    H    ALA  49           HN       ALA  49   1.046   1.497  11.755
  353    HA   ALA  49           HA       ALA  49   0.047   3.231   9.552
  354   1HB   ALA  49           HB3      ALA  49   1.300   4.083  12.160
  355   2HB   ALA  49           HB1      ALA  49  -0.155   4.708  11.384
  356   3HB   ALA  49           HB2      ALA  49   1.433   5.098  10.724
  357    H    CYS  50           HN       CYS  50   1.746   3.862   8.097
  358    HA   CYS  50           HA       CYS  50   3.832   2.021   7.632
  359   1HB   CYS  50           HB2      CYS  50   2.855   3.728   6.069
  360   2HB   CYS  50           HB1      CYS  50   3.744   4.976   6.942
  361    HG   CYS  50           HG       CYS  50   5.732   2.919   6.130
  362    H    GLN  51           HN       GLN  51   5.956   1.881   8.358
  363    HA   GLN  51           HA       GLN  51   6.696   3.561  10.681
  364   1HB   GLN  51           HB2      GLN  51   8.360   1.839  11.022
  365   2HB   GLN  51           HB1      GLN  51   6.862   1.032  10.556
  366   1HG   GLN  51           HG2      GLN  51   7.625   0.696   8.317
  367   2HG   GLN  51           HG1      GLN  51   8.989   1.793   8.543
  368   1HE2  GLN  51          1HE2      GLN  51  10.023   0.904  11.008
  369   2HE2  GLN  51          2HE2      GLN  51  10.556  -0.700  10.850
  370    H    ILE  52           HN       ILE  52   6.983   3.907   7.411
  371    HA   ILE  52           HA       ILE  52   9.796   4.857   7.409
  372    HB   ILE  52           HB       ILE  52   7.650   4.587   5.276
  373   1HG1  ILE  52          2HG1      ILE  52  10.051   2.977   4.994
  374   2HG1  ILE  52          1HG1      ILE  52   9.277   2.675   6.549
  375   1HG2  ILE  52          3HG2      ILE  52  10.570   5.389   5.109
  376   2HG2  ILE  52          2HG2      ILE  52   9.608   4.904   3.713
  377   3HG2  ILE  52          1HG2      ILE  52   9.174   6.350   4.623
  378   1HD1  ILE  52          2HD1      ILE  52   7.354   2.860   4.349
  379   2HD1  ILE  52          1HD1      ILE  52   8.518   1.553   4.129
  380   3HD1  ILE  52          3HD1      ILE  52   7.527   1.615   5.586
  381    H    CYS  53           HN       CYS  53   6.502   6.127   6.806
  382    HA   CYS  53           HA       CYS  53   7.624   8.898   7.058
  383   1HB   CYS  53           HB2      CYS  53   5.602   9.520   5.740
  384   2HB   CYS  53           HB1      CYS  53   6.599   8.335   4.896
  385    HG   CYS  53           HG       CYS  53   4.882   6.503   5.415
  386    H    GLY  54           HN       GLY  54   5.510   6.558   8.477
  387   1HA   GLY  54           HA1      GLY  54   4.820   8.477  10.609
  388   2HA   GLY  54           HA2      GLY  54   4.553   6.735  10.659
  389    H    VAL  55           HN       VAL  55   3.272   6.847   7.918
  390    HA   VAL  55           HA       VAL  55   0.806   8.416   8.462
  391    HB   VAL  55           HB       VAL  55   1.803   6.777   6.109
  392   1HG1  VAL  55          1HG1      VAL  55  -0.709   8.415   6.516
  393   2HG1  VAL  55          3HG1      VAL  55  -0.085   8.019   4.915
  394   3HG1  VAL  55          2HG1      VAL  55  -0.586   6.731   6.009
  395   1HG2  VAL  55          2HG2      VAL  55   2.945   8.989   6.739
  396   2HG2  VAL  55          1HG2      VAL  55   2.322   8.870   5.093
  397   3HG2  VAL  55          3HG2      VAL  55   1.421   9.771   6.314
  398    H    VAL  56           HN       VAL  56  -1.259   7.379   8.631
  399    HA   VAL  56           HA       VAL  56  -1.170   4.664   9.752
  400    HB   VAL  56           HB       VAL  56  -3.588   6.381   9.158
  401   1HG1  VAL  56          2HG1      VAL  56  -3.003   3.953  10.659
  402   2HG1  VAL  56          1HG1      VAL  56  -3.767   5.180  11.669
  403   3HG1  VAL  56          3HG1      VAL  56  -4.564   4.629  10.195
  404   1HG2  VAL  56          1HG2      VAL  56  -1.309   6.939  10.906
  405   2HG2  VAL  56          3HG2      VAL  56  -2.649   7.990  10.448
  406   3HG2  VAL  56          2HG2      VAL  56  -2.830   6.868  11.796
  407    H    TYR  57           HN       TYR  57  -2.188   2.832   8.830
  408    HA   TYR  57           HA       TYR  57  -2.262   2.694   5.945
  409   1HB   TYR  57           HB2      TYR  57  -3.308   0.817   8.085
  410   2HB   TYR  57           HB1      TYR  57  -2.972   0.382   6.409
  411    HD1  TYR  57           HD1      TYR  57  -1.674  -0.025   9.519
  412    HD2  TYR  57           HD2      TYR  57  -0.506   1.555   5.704
  413    HE1  TYR  57           HE1      TYR  57   0.709  -0.397  10.094
  414    HE2  TYR  57           HE2      TYR  57   1.874   1.188   6.274
  415    HH   TYR  57           HH       TYR  57   2.877  -0.753   8.805
  416    H    ASN  58           HN       ASN  58  -4.664   3.183   8.458
  417    HA   ASN  58           HA       ASN  58  -7.012   3.508   8.331
  418   1HB   ASN  58           HB2      ASN  58  -5.553   5.332   6.886
  419   2HB   ASN  58           HB1      ASN  58  -6.704   4.766   5.676
  420   1HD2  ASN  58          1HD2      ASN  58  -6.678   7.434   6.998
  421   2HD2  ASN  58          2HD2      ASN  58  -8.170   7.576   7.795
  422    H    THR  59           HN       THR  59  -7.302   1.104   7.909
  423    HA   THR  59           HA       THR  59  -8.122   0.552   5.077
  424    HB   THR  59           HB       THR  59  -7.536  -1.724   5.542
  425    HG1  THR  59           HG1      THR  59  -8.398  -2.061   7.519
  426   1HG2  THR  59          3HG2      THR  59  -5.585   0.121   6.949
  427   2HG2  THR  59          2HG2      THR  59  -5.218  -1.525   6.434
  428   3HG2  THR  59          1HG2      THR  59  -5.586  -0.287   5.233
  429    H    ARG  60           HN       ARG  60 -10.295   0.240   4.740
  430    HA   ARG  60           HA       ARG  60 -12.600   0.087   5.251
  431   1HB   ARG  60           HB2      ARG  60 -11.390  -2.200   5.694
  432   2HB   ARG  60           HB1      ARG  60 -11.709  -1.833   7.390
  433   1HG   ARG  60           HG2      ARG  60 -13.595  -3.087   6.675
  434   2HG   ARG  60           HG1      ARG  60 -14.136  -1.408   6.670
  435   1HD   ARG  60           HD2      ARG  60 -13.453  -1.354   4.190
  436   2HD   ARG  60           HD1      ARG  60 -13.374  -3.124   4.298
  437    HE   ARG  60           HE       ARG  60 -15.777  -2.878   5.295
  438   1HH1  ARG  60          1HH1      ARG  60 -15.742   0.121   4.748
  439   2HH1  ARG  60          2HH1      ARG  60 -16.620   0.199   3.257
  440   1HH2  ARG  60          1HH2      ARG  60 -16.311  -3.189   2.590
  441   2HH2  ARG  60          2HH2      ARG  60 -16.942  -1.675   2.034

  No H/Q in entry =         441
  Start of MODEL    9
    1    H1   MET   1           HT3      MET   1 -12.507 -10.708   1.228
    2    H2   MET   1           HT2      MET   1 -13.770 -10.037   0.311
    3    H3   MET   1           HT1      MET   1 -12.872  -9.058   1.371
    4    HA   MET   1           HA       MET   1 -14.022  -9.710   3.189
    5   1HB   MET   1           HB2      MET   1 -15.730  -8.879   1.764
    6   2HB   MET   1           HB1      MET   1 -15.692 -10.320   0.747
    7   1HG   MET   1           HG2      MET   1 -16.616 -11.669   2.569
    8   2HG   MET   1           HG1      MET   1 -16.590 -10.270   3.644
    9   1HE   MET   1           HE1      MET   1 -18.846 -10.298   4.335
   10   2HE   MET   1           HE3      MET   1 -18.531  -8.616   3.884
   11   3HE   MET   1           HE2      MET   1 -20.072  -9.366   3.479
   12    H    GLU   2           HN       GLU   2 -13.799 -12.310   0.801
   13    HA   GLU   2           HA       GLU   2 -13.626 -14.274   3.036
   14   1HB   GLU   2           HB2      GLU   2 -15.970 -13.826   1.737
   15   2HB   GLU   2           HB1      GLU   2 -15.265 -15.053   0.684
   16   1HG   GLU   2           HG2      GLU   2 -14.732 -16.131   3.126
   17   2HG   GLU   2           HG1      GLU   2 -16.246 -15.292   3.466
   18    H    ASP   3           HN       ASP   3 -12.968 -16.493   2.059
   19    HA   ASP   3           HA       ASP   3 -11.278 -17.683   0.906
   20   1HB   ASP   3           HB2      ASP   3 -13.217 -16.628  -0.804
   21   2HB   ASP   3           HB1      ASP   3 -11.692 -16.218  -1.590
   22    H    GLU   4           HN       GLU   4  -9.366 -17.188  -0.821
   23    HA   GLU   4           HA       GLU   4  -7.781 -15.018   0.408
   24   1HB   GLU   4           HB2      GLU   4  -7.171 -17.144  -1.674
   25   2HB   GLU   4           HB1      GLU   4  -5.969 -16.098  -0.916
   26   1HG   GLU   4           HG2      GLU   4  -7.774 -17.585   0.921
   27   2HG   GLU   4           HG1      GLU   4  -6.578 -18.543   0.048
   28    H    ASP   5           HN       ASP   5  -8.335 -16.047  -2.987
   29    HA   ASP   5           HA       ASP   5  -8.545 -14.748  -4.952
   30   1HB   ASP   5           HB2      ASP   5  -9.796 -13.237  -2.706
   31   2HB   ASP   5           HB1      ASP   5  -9.532 -12.351  -4.208
   32    H    VAL   6           HN       VAL   6  -8.085 -12.050  -5.427
   33    HA   VAL   6           HA       VAL   6  -5.231 -11.710  -4.562
   34    HB   VAL   6           HB       VAL   6  -6.671 -10.976  -7.133
   35   1HG1  VAL   6          2HG1      VAL   6  -4.446  -9.739  -6.010
   36   2HG1  VAL   6          1HG1      VAL   6  -3.748 -10.912  -7.127
   37   3HG1  VAL   6          3HG1      VAL   6  -4.893  -9.706  -7.716
   38   1HG2  VAL   6          3HG2      VAL   6  -4.845 -13.206  -6.282
   39   2HG2  VAL   6          2HG2      VAL   6  -6.302 -13.278  -7.274
   40   3HG2  VAL   6          1HG2      VAL   6  -4.802 -12.645  -7.953
   41    HA   PRO   7           HA       PRO   7  -6.764  -7.935  -2.813
   42   1HB   PRO   7           HB2      PRO   7  -4.347  -6.870  -2.136
   43   2HB   PRO   7           HB1      PRO   7  -5.112  -8.181  -1.218
   44   1HG   PRO   7           HG2      PRO   7  -2.920  -8.299  -3.218
   45   2HG   PRO   7           HG1      PRO   7  -3.138  -9.228  -1.728
   46   1HD   PRO   7           HD2      PRO   7  -3.671 -10.202  -4.231
   47   2HD   PRO   7           HD1      PRO   7  -4.454 -10.793  -2.748
   48    H    VAL   8           HN       VAL   8  -6.568  -5.592  -3.251
   49    HA   VAL   8           HA       VAL   8  -5.329  -4.980  -5.910
   50    HB   VAL   8           HB       VAL   8  -7.934  -3.886  -4.833
   51   1HG1  VAL   8          1HG1      VAL   8  -6.406  -2.966  -6.858
   52   2HG1  VAL   8          3HG1      VAL   8  -7.334  -4.185  -7.729
   53   3HG1  VAL   8          2HG1      VAL   8  -8.168  -2.882  -6.882
   54   1HG2  VAL   8          3HG2      VAL   8  -7.315  -6.531  -5.880
   55   2HG2  VAL   8          2HG2      VAL   8  -8.824  -5.933  -5.190
   56   3HG2  VAL   8          1HG2      VAL   8  -8.482  -5.695  -6.904
   57    H    CYS   9           HN       CYS   9  -4.391  -2.919  -6.105
   58    HA   CYS   9           HA       CYS   9  -3.414  -1.647  -3.733
   59   1HB   CYS   9           HB2      CYS   9  -2.211  -1.508  -5.807
   60   2HB   CYS   9           HB1      CYS   9  -3.615  -0.859  -6.652
   61    H    TRP  10           HN       TRP  10  -4.817  -0.658  -2.341
   62    HA   TRP  10           HA       TRP  10  -7.392   0.350  -2.892
   63   1HB   TRP  10           HB2      TRP  10  -7.027   1.554  -0.721
   64   2HB   TRP  10           HB1      TRP  10  -6.532  -0.137  -0.665
   65    HD1  TRP  10           HD1      TRP  10  -3.935  -0.677  -0.580
   66    HE1  TRP  10           HE1      TRP  10  -1.890   0.774   0.026
   67    HE3  TRP  10           HE3      TRP  10  -6.039   3.974  -0.819
   68    HZ2  TRP  10           HZ2      TRP  10  -1.233   3.537   0.367
   69    HZ3  TRP  10           HZ3      TRP  10  -4.683   5.994  -0.348
   70    HH2  TRP  10           HH2      TRP  10  -2.285   5.782   0.246
   71    H    ILE  11           HN       ILE  11  -4.364   1.729  -3.806
   72    HA   ILE  11           HA       ILE  11  -5.306   4.510  -3.794
   73    HB   ILE  11           HB       ILE  11  -2.863   3.279  -5.090
   74   1HG1  ILE  11          2HG1      ILE  11  -3.193   4.315  -2.259
   75   2HG1  ILE  11          1HG1      ILE  11  -3.143   2.605  -2.686
   76   1HG2  ILE  11          2HG2      ILE  11  -3.399   5.645  -5.656
   77   2HG2  ILE  11          1HG2      ILE  11  -3.389   6.034  -3.935
   78   3HG2  ILE  11          3HG2      ILE  11  -1.906   5.502  -4.728
   79   1HD1  ILE  11          2HD1      ILE  11  -0.944   4.564  -3.388
   80   2HD1  ILE  11          1HD1      ILE  11  -0.927   3.561  -1.935
   81   3HD1  ILE  11          3HD1      ILE  11  -0.897   2.807  -3.530
   82    H    CYS  12           HN       CYS  12  -4.237   2.297  -6.434
   83    HA   CYS  12           HA       CYS  12  -5.762   3.996  -8.352
   84   1HB   CYS  12           HB2      CYS  12  -4.382   2.868 -10.016
   85   2HB   CYS  12           HB1      CYS  12  -3.346   3.407  -8.694
   86    H    ASN  13           HN       ASN  13  -6.268   1.241  -6.524
   87    HA   ASN  13           HA       ASN  13  -7.984  -0.385  -6.609
   88   1HB   ASN  13           HB2      ASN  13  -8.915   1.889  -7.825
   89   2HB   ASN  13           HB1      ASN  13  -9.109   0.703  -9.117
   90   1HD2  ASN  13          1HD2      ASN  13  -9.944   1.290  -5.674
   91   2HD2  ASN  13          2HD2      ASN  13 -11.326   0.303  -5.681
   92    H    GLU  14           HN       GLU  14  -5.569  -1.198  -7.668
   93    HA   GLU  14           HA       GLU  14  -6.420  -2.790 -10.063
   94   1HB   GLU  14           HB2      GLU  14  -4.949  -0.950 -10.734
   95   2HB   GLU  14           HB1      GLU  14  -3.769  -1.419  -9.508
   96   1HG   GLU  14           HG2      GLU  14  -2.840  -2.575 -11.249
   97   2HG   GLU  14           HG1      GLU  14  -4.052  -3.779 -10.804
   98    H    GLU  15           HN       GLU  15  -6.124  -4.959  -9.749
   99    HA   GLU  15           HA       GLU  15  -5.257  -6.101  -7.300
  100   1HB   GLU  15           HB2      GLU  15  -6.006  -6.927 -10.019
  101   2HB   GLU  15           HB1      GLU  15  -4.912  -8.054  -9.216
  102   1HG   GLU  15           HG2      GLU  15  -6.408  -8.246  -7.317
  103   2HG   GLU  15           HG1      GLU  15  -7.456  -6.984  -7.965
  104    H    LEU  16           HN       LEU  16  -3.265  -6.738  -6.551
  105    HA   LEU  16           HA       LEU  16  -0.944  -6.394  -8.418
  106   1HB   LEU  16           HB2      LEU  16   0.275  -6.041  -6.129
  107   2HB   LEU  16           HB1      LEU  16  -0.710  -4.732  -6.769
  108    HG   LEU  16           HG       LEU  16  -1.886  -6.769  -4.881
  109   1HD1  LEU  16          3HD1      LEU  16  -0.280  -4.286  -4.238
  110   2HD1  LEU  16          2HD1      LEU  16  -1.416  -5.005  -3.100
  111   3HD1  LEU  16          1HD1      LEU  16  -0.015  -5.927  -3.645
  112   1HD2  LEU  16          2HD2      LEU  16  -2.796  -4.407  -6.250
  113   2HD2  LEU  16          1HD2      LEU  16  -3.708  -5.485  -5.192
  114   3HD2  LEU  16          3HD2      LEU  16  -2.833  -4.116  -4.508
  115    H    GLY  17           HN       GLY  17  -2.502  -8.386  -5.985
  116   1HA   GLY  17           HA1      GLY  17  -1.137 -10.756  -6.995
  117   2HA   GLY  17           HA2      GLY  17  -2.377 -10.729  -5.748
  118    H    ASN  18           HN       ASN  18   0.560  -8.773  -5.507
  119    HA   ASN  18           HA       ASN  18   1.211  -9.557  -2.884
  120   1HB   ASN  18           HB2      ASN  18   1.612 -11.629  -4.822
  121   2HB   ASN  18           HB1      ASN  18   3.194 -11.113  -4.242
  122   1HD2  ASN  18          1HD2      ASN  18   0.154 -11.053  -2.353
  123   2HD2  ASN  18          2HD2      ASN  18   0.670 -12.177  -1.191
  124    H    GLU  19           HN       GLU  19   1.507  -7.225  -4.529
  125    HA   GLU  19           HA       GLU  19   4.137  -6.809  -5.541
  126   1HB   GLU  19           HB2      GLU  19   2.197  -5.327  -5.902
  127   2HB   GLU  19           HB1      GLU  19   2.188  -4.911  -4.187
  128   1HG   GLU  19           HG2      GLU  19   3.344  -3.135  -5.293
  129   2HG   GLU  19           HG1      GLU  19   4.585  -4.104  -4.501
  130    H    ARG  20           HN       ARG  20   5.896  -7.374  -4.245
  131    HA   ARG  20           HA       ARG  20   5.960  -7.269  -1.395
  132   1HB   ARG  20           HB2      ARG  20   7.462  -8.562  -2.906
  133   2HB   ARG  20           HB1      ARG  20   8.205  -7.051  -3.431
  134   1HG   ARG  20           HG2      ARG  20   9.648  -7.291  -1.715
  135   2HG   ARG  20           HG1      ARG  20   8.296  -6.929  -0.640
  136   1HD   ARG  20           HD2      ARG  20   7.943  -9.630  -1.313
  137   2HD   ARG  20           HD1      ARG  20   9.685  -9.456  -1.022
  138    HE   ARG  20           HE       ARG  20   8.671  -8.035   1.058
  139   1HH1  ARG  20          1HH1      ARG  20   8.766 -11.279   0.105
  140   2HH1  ARG  20          2HH1      ARG  20   7.817 -11.867   1.429
  141   1HH2  ARG  20          1HH2      ARG  20   7.035  -8.704   2.617
  142   2HH2  ARG  20          2HH2      ARG  20   6.836 -10.409   2.851
  143    H    PHE  21           HN       PHE  21   5.240  -5.221  -0.652
  144    HA   PHE  21           HA       PHE  21   7.261  -3.059  -0.820
  145   1HB   PHE  21           HB2      PHE  21   5.823  -2.588  -2.695
  146   2HB   PHE  21           HB1      PHE  21   4.377  -2.893  -1.735
  147    HD1  PHE  21           HD1      PHE  21   7.059  -1.179  -0.003
  148    HD2  PHE  21           HD2      PHE  21   3.629  -0.599  -2.521
  149    HE1  PHE  21           HE1      PHE  21   6.981   1.211   0.652
  150    HE2  PHE  21           HE2      PHE  21   3.552   1.786  -1.867
  151    HZ   PHE  21           HZ       PHE  21   5.225   2.696  -0.281
  152    H    ARG  22           HN       ARG  22   7.603  -2.796   1.380
  153    HA   ARG  22           HA       ARG  22   5.544  -3.308   3.362
  154   1HB   ARG  22           HB2      ARG  22   8.354  -2.267   3.255
  155   2HB   ARG  22           HB1      ARG  22   7.432  -2.051   4.744
  156   1HG   ARG  22           HG2      ARG  22   6.852  -4.583   4.458
  157   2HG   ARG  22           HG1      ARG  22   8.258  -4.609   3.393
  158   1HD   ARG  22           HD2      ARG  22   8.872  -3.166   5.837
  159   2HD   ARG  22           HD1      ARG  22   8.300  -4.808   6.195
  160    HE   ARG  22           HE       ARG  22  10.277  -4.531   4.006
  161   1HH1  ARG  22          1HH1      ARG  22   9.189  -6.579   6.348
  162   2HH1  ARG  22          2HH1      ARG  22  10.742  -7.005   6.986
  163   1HH2  ARG  22          1HH2      ARG  22  12.437  -4.553   5.215
  164   2HH2  ARG  22          2HH2      ARG  22  12.581  -5.859   6.345
  165    H    ALA  23           HN       ALA  23   3.805  -1.852   2.704
  166    HA   ALA  23           HA       ALA  23   4.397   1.065   2.998
  167   1HB   ALA  23           HB2      ALA  23   2.267  -0.602   1.665
  168   2HB   ALA  23           HB1      ALA  23   1.992   1.110   1.985
  169   3HB   ALA  23           HB3      ALA  23   3.325   0.611   0.945
  170    H    CYS  24           HN       CYS  24   1.192  -0.271   3.440
  171    HA   CYS  24           HA       CYS  24   1.369   0.416   6.353
  172   1HB   CYS  24           HB2      CYS  24   0.119   2.122   5.331
  173   2HB   CYS  24           HB1      CYS  24  -0.684   1.016   4.221
  174    H    GLY  25           HN       GLY  25  -0.308  -0.686   7.659
  175   1HA   GLY  25           HA1      GLY  25  -0.758  -2.945   8.429
  176   2HA   GLY  25           HA2      GLY  25  -0.635  -3.505   6.759
  177    H    CYS  26           HN       CYS  26  -2.607  -1.200   8.677
  178    HA   CYS  26           HA       CYS  26  -4.943  -0.856   8.672
  179   1HB   CYS  26           HB2      CYS  26  -3.864  -1.025   5.976
  180   2HB   CYS  26           HB1      CYS  26  -5.576  -1.423   6.004
  181    H    THR  27           HN       THR  27  -6.832  -2.292   6.892
  182    HA   THR  27           HA       THR  27  -6.727  -4.977   8.232
  183    HB   THR  27           HB       THR  27  -9.140  -3.379   7.332
  184    HG1  THR  27           HG1      THR  27  -9.253  -3.053   9.701
  185   1HG2  THR  27          1HG2      THR  27  -8.935  -6.034   7.997
  186   2HG2  THR  27          3HG2      THR  27  -9.327  -5.302   9.553
  187   3HG2  THR  27          2HG2      THR  27 -10.400  -5.069   8.173
  188    H    GLY  28           HN       GLY  28  -5.684  -4.216   5.481
  189   1HA   GLY  28           HA1      GLY  28  -7.546  -5.888   3.845
  190   2HA   GLY  28           HA2      GLY  28  -5.814  -6.208   3.847
  191    H    GLU  29           HN       GLU  29  -7.872  -3.289   3.534
  192    HA   GLU  29           HA       GLU  29  -7.554  -2.631   0.884
  193   1HB   GLU  29           HB2      GLU  29  -8.662  -1.375   2.859
  194   2HB   GLU  29           HB1      GLU  29  -7.084  -0.614   3.091
  195   1HG   GLU  29           HG2      GLU  29  -7.243   0.626   1.175
  196   2HG   GLU  29           HG1      GLU  29  -8.146  -0.623   0.314
  197    H    LEU  30           HN       LEU  30  -5.303  -1.482   3.405
  198    HA   LEU  30           HA       LEU  30  -3.304  -0.810   1.359
  199   1HB   LEU  30           HB2      LEU  30  -3.740  -0.414   4.296
  200   2HB   LEU  30           HB1      LEU  30  -2.145  -0.090   3.597
  201    HG   LEU  30           HG       LEU  30  -3.769   1.121   1.771
  202   1HD1  LEU  30          3HD1      LEU  30  -5.508   0.543   3.820
  203   2HD1  LEU  30          2HD1      LEU  30  -5.024   2.197   4.191
  204   3HD1  LEU  30          1HD1      LEU  30  -5.739   1.816   2.623
  205   1HD2  LEU  30          2HD2      LEU  30  -2.281   2.040   4.186
  206   2HD2  LEU  30          1HD2      LEU  30  -2.012   2.427   2.485
  207   3HD2  LEU  30          3HD2      LEU  30  -3.322   3.209   3.372
  208    H    GLU  31           HN       GLU  31  -3.983  -3.509   3.403
  209    HA   GLU  31           HA       GLU  31  -1.436  -4.525   4.027
  210   1HB   GLU  31           HB2      GLU  31  -4.143  -5.445   3.718
  211   2HB   GLU  31           HB1      GLU  31  -3.063  -6.633   2.987
  212   1HG   GLU  31           HG2      GLU  31  -1.734  -5.991   5.315
  213   2HG   GLU  31           HG1      GLU  31  -3.424  -5.924   5.818
  214    H    ASN  32           HN       ASN  32  -3.002  -4.084   0.949
  215    HA   ASN  32           HA       ASN  32  -0.593  -5.204  -0.441
  216   1HB   ASN  32           HB2      ASN  32  -3.385  -5.292  -1.570
  217   2HB   ASN  32           HB1      ASN  32  -2.013  -6.320  -1.953
  218   1HD2  ASN  32          1HD2      ASN  32  -4.819  -6.015   0.035
  219   2HD2  ASN  32          2HD2      ASN  32  -4.556  -7.392   0.995
  220    H    VAL  33           HN       VAL  33   0.342  -3.485  -1.564
  221    HA   VAL  33           HA       VAL  33  -1.475  -1.613  -2.978
  222    HB   VAL  33           HB       VAL  33  -1.082  -0.767  -0.661
  223   1HG1  VAL  33          2HG1      VAL  33   1.195  -1.706  -0.384
  224   2HG1  VAL  33          1HG1      VAL  33   1.795  -0.587  -1.608
  225   3HG1  VAL  33          3HG1      VAL  33   1.171   0.031  -0.078
  226   1HG2  VAL  33          3HG2      VAL  33  -1.499   0.756  -2.574
  227   2HG2  VAL  33          2HG2      VAL  33  -0.442   1.496  -1.371
  228   3HG2  VAL  33          1HG2      VAL  33   0.238   0.844  -2.864
  229    H    HIS  34           HN       HIS  34  -0.587  -0.870  -4.870
  230    HA   HIS  34           HA       HIS  34   1.834  -2.022  -5.924
  231   1HB   HIS  34           HB2      HIS  34  -0.135   0.123  -6.657
  232   2HB   HIS  34           HB1      HIS  34   1.328  -0.067  -7.624
  233    HD2  HIS  34           HD2      HIS  34   1.534  -3.271  -7.978
  234    HE1  HIS  34           HE1      HIS  34  -2.557  -3.185  -9.067
  235    HE2  HIS  34           HE2      HIS  34  -0.426  -4.531  -9.113
  236    H    ARG  35           HN       ARG  35   3.887  -1.375  -5.329
  237    HA   ARG  35           HA       ARG  35   4.438   1.001  -3.810
  238   1HB   ARG  35           HB2      ARG  35   5.852  -0.944  -3.676
  239   2HB   ARG  35           HB1      ARG  35   6.118  -0.940  -5.420
  240   1HG   ARG  35           HG2      ARG  35   7.477   0.992  -5.326
  241   2HG   ARG  35           HG1      ARG  35   6.912   1.414  -3.708
  242   1HD   ARG  35           HD2      ARG  35   8.701   0.305  -2.870
  243   2HD   ARG  35           HD1      ARG  35   8.009  -1.199  -3.512
  244    HE   ARG  35           HE       ARG  35   9.145   0.022  -5.732
  245   1HH1  ARG  35          1HH1      ARG  35  11.372   1.212  -4.809
  246   2HH1  ARG  35          2HH1      ARG  35  12.490  -0.020  -4.329
  247   1HH2  ARG  35          1HH2      ARG  35  10.079  -2.508  -4.159
  248   2HH2  ARG  35          2HH2      ARG  35  11.758  -2.128  -3.960
  249    H    SER  36           HN       SER  36   3.959   0.471  -7.172
  250    HA   SER  36           HA       SER  36   5.630   2.632  -8.169
  251   1HB   SER  36           HB2      SER  36   3.297   1.049  -9.282
  252   2HB   SER  36           HB1      SER  36   4.249   2.183 -10.236
  253    HG   SER  36           HG       SER  36   4.784  -0.319  -9.815
  254    H    CYS  37           HN       CYS  37   2.090   2.290  -7.720
  255    HA   CYS  37           HA       CYS  37   1.721   5.166  -8.228
  256   1HB   CYS  37           HB2      CYS  37  -0.705   4.240  -7.245
  257   2HB   CYS  37           HB1      CYS  37  -0.258   4.342  -8.935
  258    HG   CYS  37           HG       CYS  37  -0.771   1.793  -7.447
  259    H    LEU  38           HN       LEU  38   2.107   3.125  -5.420
  260    HA   LEU  38           HA       LEU  38   0.939   5.072  -3.565
  261   1HB   LEU  38           HB2      LEU  38   0.887   2.735  -2.999
  262   2HB   LEU  38           HB1      LEU  38   2.616   2.563  -3.293
  263    HG   LEU  38           HG       LEU  38   3.191   3.761  -1.337
  264   1HD1  LEU  38          2HD1      LEU  38   0.512   4.961  -1.727
  265   2HD1  LEU  38          1HD1      LEU  38   0.993   4.721  -0.047
  266   3HD1  LEU  38          3HD1      LEU  38   1.998   5.693  -1.121
  267   1HD2  LEU  38          2HD2      LEU  38   1.495   1.547  -1.176
  268   2HD2  LEU  38          1HD2      LEU  38   2.507   2.178   0.124
  269   3HD2  LEU  38          3HD2      LEU  38   0.824   2.688  -0.009
  270    H    SER  39           HN       SER  39   4.286   3.839  -3.975
  271    HA   SER  39           HA       SER  39   5.650   5.687  -2.391
  272   1HB   SER  39           HB2      SER  39   6.547   3.682  -3.610
  273   2HB   SER  39           HB1      SER  39   6.484   4.612  -5.105
  274    HG   SER  39           HG       SER  39   7.806   6.193  -3.870
  275    H    THR  40           HN       THR  40   4.317   6.130  -5.637
  276    HA   THR  40           HA       THR  40   5.543   8.797  -5.931
  277    HB   THR  40           HB       THR  40   5.130   7.071  -7.770
  278    HG1  THR  40           HG1      THR  40   4.223   8.773  -9.182
  279   1HG2  THR  40          3HG2      THR  40   2.284   8.015  -7.331
  280   2HG2  THR  40          2HG2      THR  40   2.828   7.069  -8.717
  281   3HG2  THR  40          1HG2      THR  40   2.892   6.377  -7.098
  282    H    TRP  41           HN       TRP  41   2.360   7.377  -5.227
  283    HA   TRP  41           HA       TRP  41   0.805   9.770  -5.343
  284   1HB   TRP  41           HB2      TRP  41  -0.319   7.690  -5.257
  285   2HB   TRP  41           HB1      TRP  41   0.641   7.129  -3.889
  286    HD1  TRP  41           HD1      TRP  41  -2.207   9.549  -4.751
  287    HE1  TRP  41           HE1      TRP  41  -3.526  10.063  -2.594
  288    HE3  TRP  41           HE3      TRP  41   0.734   7.161  -1.332
  289    HZ2  TRP  41           HZ2      TRP  41  -3.354   9.527   0.212
  290    HZ3  TRP  41           HZ3      TRP  41   0.137   7.177   1.073
  291    HH2  TRP  41           HH2      TRP  41  -1.901   8.356   1.849
  292    H    LEU  42           HN       LEU  42   2.157   8.133  -2.439
  293    HA   LEU  42           HA       LEU  42   1.565  10.130  -0.546
  294   1HB   LEU  42           HB2      LEU  42   3.592   9.149   0.641
  295   2HB   LEU  42           HB1      LEU  42   2.403   7.966   0.102
  296    HG   LEU  42           HG       LEU  42   3.951   8.030  -2.098
  297   1HD1  LEU  42          1HD1      LEU  42   5.401   9.699  -0.552
  298   2HD1  LEU  42          3HD1      LEU  42   6.101   8.157  -0.057
  299   3HD1  LEU  42          2HD1      LEU  42   6.130   8.633  -1.754
  300   1HD2  LEU  42          2HD2      LEU  42   3.760   6.390   0.309
  301   2HD2  LEU  42          1HD2      LEU  42   3.895   5.886  -1.376
  302   3HD2  LEU  42          3HD2      LEU  42   5.347   6.267  -0.451
  303    H    THR  43           HN       THR  43   3.999  10.102  -3.058
  304    HA   THR  43           HA       THR  43   5.669  12.210  -1.956
  305    HB   THR  43           HB       THR  43   5.281  11.317  -4.831
  306    HG1  THR  43           HG1      THR  43   7.036  10.289  -2.859
  307   1HG2  THR  43          2HG2      THR  43   7.180  13.047  -3.398
  308   2HG2  THR  43          1HG2      THR  43   7.948  11.822  -4.409
  309   3HG2  THR  43          3HG2      THR  43   6.810  12.966  -5.121
  310    H    ILE  44           HN       ILE  44   3.203  12.149  -4.562
  311    HA   ILE  44           HA       ILE  44   3.201  14.977  -5.037
  312    HB   ILE  44           HB       ILE  44   1.312  12.670  -5.519
  313   1HG1  ILE  44          2HG1      ILE  44   1.914  13.637  -7.935
  314   2HG1  ILE  44          1HG1      ILE  44   3.306  14.280  -7.063
  315   1HG2  ILE  44          2HG2      ILE  44   0.741  15.564  -5.665
  316   2HG2  ILE  44          1HG2      ILE  44   0.361  14.668  -7.135
  317   3HG2  ILE  44          3HG2      ILE  44  -0.374  14.198  -5.603
  318   1HD1  ILE  44          2HD1      ILE  44   2.474  11.379  -6.873
  319   2HD1  ILE  44          1HD1      ILE  44   3.614  11.961  -8.086
  320   3HD1  ILE  44          3HD1      ILE  44   4.002  12.103  -6.372
  321    H    SER  45           HN       SER  45   1.396  12.916  -2.785
  322    HA   SER  45           HA       SER  45  -0.199  15.224  -1.820
  323   1HB   SER  45           HB2      SER  45  -1.052  12.851  -2.250
  324   2HB   SER  45           HB1      SER  45  -0.130  12.360  -0.832
  325    HG   SER  45           HG       SER  45  -2.535  13.452  -0.924
  326    H    ARG  46           HN       ARG  46   2.830  13.907  -1.216
  327    HA   ARG  46           HA       ARG  46   4.383  14.271   0.526
  328   1HB   ARG  46           HB2      ARG  46   2.601  16.456   0.394
  329   2HB   ARG  46           HB1      ARG  46   2.755  16.070   2.109
  330   1HG   ARG  46           HG2      ARG  46   5.189  16.177   1.955
  331   2HG   ARG  46           HG1      ARG  46   5.091  16.457   0.216
  332   1HD   ARG  46           HD2      ARG  46   3.936  18.302   2.341
  333   2HD   ARG  46           HD1      ARG  46   5.427  18.596   1.423
  334    HE   ARG  46           HE       ARG  46   3.685  18.156  -0.600
  335   1HH1  ARG  46          1HH1      ARG  46   1.309  18.689   1.019
  336   2HH1  ARG  46          2HH1      ARG  46   1.124  20.408   0.911
  337   1HH2  ARG  46          1HH2      ARG  46   4.364  20.951  -0.199
  338   2HH2  ARG  46          2HH2      ARG  46   2.854  21.689   0.221
  339    H    ASN  47           HN       ASN  47   3.410  11.947   1.004
  340    HA   ASN  47           HA       ASN  47   2.418  11.981   3.834
  341   1HB   ASN  47           HB2      ASN  47   1.545  10.325   1.451
  342   2HB   ASN  47           HB1      ASN  47   1.125   9.900   3.111
  343   1HD2  ASN  47          1HD2      ASN  47  -1.166  10.316   2.124
  344   2HD2  ASN  47          2HD2      ASN  47  -1.750  11.907   2.211
  345    H    THR  48           HN       THR  48   3.211  10.193   5.119
  346    HA   THR  48           HA       THR  48   5.391   8.584   3.834
  347    HB   THR  48           HB       THR  48   6.672   9.002   5.956
  348    HG1  THR  48           HG1      THR  48   4.919   9.511   7.280
  349   1HG2  THR  48          2HG2      THR  48   6.023  10.905   3.855
  350   2HG2  THR  48          1HG2      THR  48   6.494  11.724   5.345
  351   3HG2  THR  48          3HG2      THR  48   7.582  10.553   4.600
  352    H    ALA  49           HN       ALA  49   2.939   8.839   6.381
  353    HA   ALA  49           HA       ALA  49   3.046   5.865   6.646
  354   1HB   ALA  49           HB3      ALA  49   2.656   7.663   9.026
  355   2HB   ALA  49           HB1      ALA  49   4.285   7.324   8.439
  356   3HB   ALA  49           HB2      ALA  49   3.249   6.002   8.979
  357    H    CYS  50           HN       CYS  50   1.045   4.944   6.689
  358    HA   CYS  50           HA       CYS  50  -1.322   6.294   5.979
  359   1HB   CYS  50           HB2      CYS  50  -1.053   3.882   5.838
  360   2HB   CYS  50           HB1      CYS  50  -0.853   3.763   7.586
  361    HG   CYS  50           HG       CYS  50  -3.424   3.354   6.545
  362    H    GLN  51           HN       GLN  51  -3.152   7.002   7.242
  363    HA   GLN  51           HA       GLN  51  -2.425   7.890   9.994
  364   1HB   GLN  51           HB2      GLN  51  -4.307   9.455   9.637
  365   2HB   GLN  51           HB1      GLN  51  -3.168   9.532   8.292
  366   1HG   GLN  51           HG2      GLN  51  -4.588   8.307   6.860
  367   2HG   GLN  51           HG1      GLN  51  -5.551   7.688   8.201
  368   1HE2  GLN  51          1HE2      GLN  51  -7.574   8.578   7.423
  369   2HE2  GLN  51          2HE2      GLN  51  -7.867  10.249   7.390
  370    H    ILE  52           HN       ILE  52  -4.616   5.770   8.260
  371    HA   ILE  52           HA       ILE  52  -6.713   5.431  10.114
  372    HB   ILE  52           HB       ILE  52  -5.270   3.465   8.308
  373   1HG1  ILE  52          2HG1      ILE  52  -7.949   4.717   7.781
  374   2HG1  ILE  52          1HG1      ILE  52  -6.487   5.655   7.473
  375   1HG2  ILE  52          3HG2      ILE  52  -7.697   3.216  10.034
  376   2HG2  ILE  52          2HG2      ILE  52  -7.739   2.460   8.441
  377   3HG2  ILE  52          1HG2      ILE  52  -6.497   1.997   9.604
  378   1HD1  ILE  52          1HD1      ILE  52  -5.672   3.538   6.195
  379   2HD1  ILE  52          3HD1      ILE  52  -7.375   3.079   6.188
  380   3HD1  ILE  52          2HD1      ILE  52  -6.862   4.579   5.414
  381    H    CYS  53           HN       CYS  53  -3.572   3.713   9.987
  382    HA   CYS  53           HA       CYS  53  -4.047   2.872  12.829
  383   1HB   CYS  53           HB2      CYS  53  -2.464   0.939  12.080
  384   2HB   CYS  53           HB1      CYS  53  -4.142   0.901  11.545
  385    HG   CYS  53           HG       CYS  53  -3.365   1.772   9.202
  386    H    GLY  54           HN       GLY  54  -1.954   4.493  10.610
  387   1HA   GLY  54           HA1      GLY  54  -0.113   5.107  12.837
  388   2HA   GLY  54           HA2      GLY  54  -0.159   5.929  11.279
  389    H    VAL  55           HN       VAL  55   0.046   3.691   9.562
  390    HA   VAL  55           HA       VAL  55   2.582   2.346  10.387
  391    HB   VAL  55           HB       VAL  55   0.749   1.870   8.014
  392   1HG1  VAL  55          1HG1      VAL  55   2.973   0.277   9.316
  393   2HG1  VAL  55          3HG1      VAL  55   1.837  -0.419   8.160
  394   3HG1  VAL  55          2HG1      VAL  55   2.916   0.884   7.660
  395   1HG2  VAL  55          3HG2      VAL  55  -0.221   1.640  10.423
  396   2HG2  VAL  55          2HG2      VAL  55  -0.438   0.296   9.302
  397   3HG2  VAL  55          1HG2      VAL  55   0.820   0.221  10.536
  398    H    VAL  56           HN       VAL  56   4.506   2.945   9.409
  399    HA   VAL  56           HA       VAL  56   4.487   5.210   7.553
  400    HB   VAL  56           HB       VAL  56   6.889   3.569   8.317
  401   1HG1  VAL  56          2HG1      VAL  56   6.414   5.994   6.970
  402   2HG1  VAL  56          1HG1      VAL  56   7.036   6.453   8.556
  403   3HG1  VAL  56          3HG1      VAL  56   7.974   5.377   7.519
  404   1HG2  VAL  56          2HG2      VAL  56   5.163   5.297  10.078
  405   2HG2  VAL  56          1HG2      VAL  56   5.953   3.767  10.459
  406   3HG2  VAL  56          3HG2      VAL  56   6.905   5.247  10.342
  407    H    TYR  57           HN       TYR  57   5.033   5.158   5.373
  408    HA   TYR  57           HA       TYR  57   4.648   2.674   3.928
  409   1HB   TYR  57           HB2      TYR  57   5.790   5.312   2.968
  410   2HB   TYR  57           HB1      TYR  57   4.930   4.112   2.006
  411    HD1  TYR  57           HD1      TYR  57   2.846   3.492   4.244
  412    HD2  TYR  57           HD2      TYR  57   4.265   7.135   2.468
  413    HE1  TYR  57           HE1      TYR  57   0.695   4.597   4.791
  414    HE2  TYR  57           HE2      TYR  57   2.117   8.242   3.015
  415    HH   TYR  57           HH       TYR  57   0.219   8.054   4.269
  416    H    ASN  58           HN       ASN  58   6.532   1.622   5.250
  417    HA   ASN  58           HA       ASN  58   9.244   2.246   4.989
  418   1HB   ASN  58           HB2      ASN  58   7.570   0.024   5.688
  419   2HB   ASN  58           HB1      ASN  58   8.906  -0.573   4.702
  420   1HD2  ASN  58          1HD2      ASN  58   9.919  -1.574   6.611
  421   2HD2  ASN  58          2HD2      ASN  58  10.702  -0.622   7.778
  422    H    THR  59           HN       THR  59  10.398   2.639   3.148
  423    HA   THR  59           HA       THR  59   9.789   0.990   0.714
  424    HB   THR  59           HB       THR  59  10.415   3.068  -0.542
  425    HG1  THR  59           HG1      THR  59  10.252   4.348   1.969
  426   1HG2  THR  59          1HG2      THR  59   8.090   2.731   1.218
  427   2HG2  THR  59          3HG2      THR  59   8.381   4.407   0.750
  428   3HG2  THR  59          2HG2      THR  59   8.155   3.172  -0.489
  429    H    ARG  60           HN       ARG  60  11.753   0.916  -0.794
  430    HA   ARG  60           HA       ARG  60  14.292   0.872   0.809
  431   1HB   ARG  60           HB2      ARG  60  13.396  -1.361   0.297
  432   2HB   ARG  60           HB1      ARG  60  13.317  -0.950  -1.417
  433   1HG   ARG  60           HG2      ARG  60  15.860  -0.414  -1.153
  434   2HG   ARG  60           HG1      ARG  60  15.745  -1.403   0.302
  435   1HD   ARG  60           HD2      ARG  60  15.022  -3.327  -0.956
  436   2HD   ARG  60           HD1      ARG  60  14.809  -2.353  -2.426
  437    HE   ARG  60           HE       ARG  60  17.424  -3.087  -1.211
  438   1HH1  ARG  60          1HH1      ARG  60  17.888  -0.434  -2.198
  439   2HH1  ARG  60          2HH1      ARG  60  18.193  -0.644  -3.890
  440   1HH2  ARG  60          1HH2      ARG  60  16.815  -3.824  -4.015
  441   2HH2  ARG  60          2HH2      ARG  60  17.585  -2.563  -4.919

  No H/Q in entry =         441
  Start of MODEL   10
    1    H1   MET   1           HT1      MET   1 -16.015 -11.145  -5.998
    2    H2   MET   1           HT3      MET   1 -15.754 -12.550  -6.910
    3    H3   MET   1           HT2      MET   1 -15.324 -12.515  -5.267
    4    HA   MET   1           HA       MET   1 -13.423 -11.319  -5.624
    5   1HB   MET   1           HB2      MET   1 -13.703 -13.538  -6.969
    6   2HB   MET   1           HB1      MET   1 -13.784 -12.487  -8.382
    7   1HG   MET   1           HG2      MET   1 -11.477 -13.137  -8.099
    8   2HG   MET   1           HG1      MET   1 -11.611 -11.444  -7.624
    9   1HE   MET   1           HE3      MET   1  -9.664 -13.763  -7.279
   10   2HE   MET   1           HE2      MET   1  -9.094 -13.900  -5.618
   11   3HE   MET   1           HE1      MET   1 -10.319 -15.017  -6.217
   12    H    GLU   2           HN       GLU   2 -12.515  -9.405  -6.431
   13    HA   GLU   2           HA       GLU   2 -12.421  -7.346  -7.590
   14   1HB   GLU   2           HB2      GLU   2 -13.127  -9.423  -9.393
   15   2HB   GLU   2           HB1      GLU   2 -14.139  -8.035  -9.796
   16   1HG   GLU   2           HG2      GLU   2 -12.156  -7.712 -11.058
   17   2HG   GLU   2           HG1      GLU   2 -11.979  -6.640  -9.668
   18    H    ASP   3           HN       ASP   3 -15.622  -8.391  -8.712
   19    HA   ASP   3           HA       ASP   3 -17.697  -7.243  -8.566
   20   1HB   ASP   3           HB2      ASP   3 -16.790  -8.282  -6.165
   21   2HB   ASP   3           HB1      ASP   3 -17.228  -6.630  -5.730
   22    H    GLU   4           HN       GLU   4 -18.312  -5.157  -6.620
   23    HA   GLU   4           HA       GLU   4 -17.147  -2.859  -8.060
   24   1HB   GLU   4           HB2      GLU   4 -19.160  -2.969  -5.792
   25   2HB   GLU   4           HB1      GLU   4 -18.924  -1.649  -6.938
   26   1HG   GLU   4           HG2      GLU   4 -20.234  -2.640  -8.483
   27   2HG   GLU   4           HG1      GLU   4 -19.399  -4.183  -8.297
   28    H    ASP   5           HN       ASP   5 -17.648  -1.247  -5.500
   29    HA   ASP   5           HA       ASP   5 -16.352  -0.421  -3.705
   30   1HB   ASP   5           HB2      ASP   5 -16.818  -2.846  -3.052
   31   2HB   ASP   5           HB1      ASP   5 -15.214  -3.228  -3.680
   32    H    VAL   6           HN       VAL   6 -14.674   0.952  -4.143
   33    HA   VAL   6           HA       VAL   6 -12.222  -0.180  -5.443
   34    HB   VAL   6           HB       VAL   6 -13.444   2.538  -5.994
   35   1HG1  VAL   6          1HG1      VAL   6 -10.992   2.132  -6.456
   36   2HG1  VAL   6          3HG1      VAL   6 -11.478   0.877  -7.596
   37   3HG1  VAL   6          2HG1      VAL   6 -11.937   2.555  -7.883
   38   1HG2  VAL   6          2HG2      VAL   6 -14.943   0.591  -6.634
   39   2HG2  VAL   6          1HG2      VAL   6 -14.439   1.608  -7.984
   40   3HG2  VAL   6          3HG2      VAL   6 -13.658   0.050  -7.713
   41    HA   PRO   7           HA       PRO   7 -10.790   1.868  -1.690
   42   1HB   PRO   7           HB2      PRO   7  -8.390   0.565  -1.615
   43   2HB   PRO   7           HB1      PRO   7  -9.902  -0.161  -1.034
   44   1HG   PRO   7           HG2      PRO   7  -8.459  -0.592  -3.592
   45   2HG   PRO   7           HG1      PRO   7  -9.334  -1.751  -2.580
   46   1HD   PRO   7           HD2      PRO   7 -10.346  -0.653  -4.878
   47   2HD   PRO   7           HD1      PRO   7 -11.347  -1.262  -3.541
   48    H    VAL   8           HN       VAL   8  -8.916   3.312  -1.294
   49    HA   VAL   8           HA       VAL   8  -7.612   4.257  -3.827
   50    HB   VAL   8           HB       VAL   8  -8.416   5.992  -1.486
   51   1HG1  VAL   8          3HG1      VAL   8  -6.823   6.594  -3.542
   52   2HG1  VAL   8          2HG1      VAL   8  -8.370   6.851  -4.350
   53   3HG1  VAL   8          1HG1      VAL   8  -7.971   7.769  -2.898
   54   1HG2  VAL   8          3HG2      VAL   8 -10.124   4.666  -3.462
   55   2HG2  VAL   8          2HG2      VAL   8 -10.575   5.535  -1.997
   56   3HG2  VAL   8          1HG2      VAL   8 -10.290   6.422  -3.494
   57    H    CYS   9           HN       CYS   9  -5.431   4.947  -3.616
   58    HA   CYS   9           HA       CYS   9  -3.882   3.729  -1.510
   59   1HB   CYS   9           HB2      CYS   9  -2.964   4.052  -3.716
   60   2HB   CYS   9           HB1      CYS   9  -3.305   5.780  -3.668
   61    H    TRP  10           HN       TRP  10  -3.910   4.499   0.545
   62    HA   TRP  10           HA       TRP  10  -4.844   7.019   1.421
   63   1HB   TRP  10           HB2      TRP  10  -3.719   6.344   3.525
   64   2HB   TRP  10           HB1      TRP  10  -4.567   4.986   2.786
   65    HD1  TRP  10           HD1      TRP  10  -3.099   3.112   1.559
   66    HE1  TRP  10           HE1      TRP  10  -0.625   2.441   1.848
   67    HE3  TRP  10           HE3      TRP  10  -1.337   7.218   4.050
   68    HZ2  TRP  10           HZ2      TRP  10   1.777   3.497   2.979
   69    HZ3  TRP  10           HZ3      TRP  10   1.046   7.355   4.718
   70    HH2  TRP  10           HH2      TRP  10   2.603   5.502   4.186
   71    H    ILE  11           HN       ILE  11  -1.834   6.255  -0.091
   72    HA   ILE  11           HA       ILE  11  -0.326   8.443   1.154
   73    HB   ILE  11           HB       ILE  11   0.301   6.769  -1.290
   74   1HG1  ILE  11          2HG1      ILE  11   0.587   6.193   1.670
   75   2HG1  ILE  11          1HG1      ILE  11  -0.244   5.220   0.457
   76   1HG2  ILE  11          1HG2      ILE  11   1.668   8.858   0.093
   77   2HG2  ILE  11          3HG2      ILE  11   2.527   7.353   0.416
   78   3HG2  ILE  11          2HG2      ILE  11   2.259   7.877  -1.247
   79   1HD1  ILE  11          3HD1      ILE  11   2.738   5.759   0.516
   80   2HD1  ILE  11          2HD1      ILE  11   1.964   4.261   1.033
   81   3HD1  ILE  11          1HD1      ILE  11   1.892   4.753  -0.659
   82    H    CYS  12           HN       CYS  12  -1.328   7.797  -2.248
   83    HA   CYS  12           HA       CYS  12  -1.001  10.705  -2.804
   84   1HB   CYS  12           HB2      CYS  12  -1.011   9.954  -5.135
   85   2HB   CYS  12           HB1      CYS  12   0.098   8.954  -4.198
   86    H    ASN  13           HN       ASN  13  -3.469   8.627  -1.891
   87    HA   ASN  13           HA       ASN  13  -5.816   8.924  -1.859
   88   1HB   ASN  13           HB2      ASN  13  -4.861  11.311  -1.493
   89   2HB   ASN  13           HB1      ASN  13  -5.281  11.584  -3.185
   90   1HD2  ASN  13          1HD2      ASN  13  -6.558  11.416   0.032
   91   2HD2  ASN  13          2HD2      ASN  13  -8.196  11.588  -0.381
   92    H    GLU  14           HN       GLU  14  -4.751   7.481  -4.032
   93    HA   GLU  14           HA       GLU  14  -6.530   8.375  -6.277
   94   1HB   GLU  14           HB2      GLU  14  -4.186   8.743  -6.823
   95   2HB   GLU  14           HB1      GLU  14  -3.778   7.103  -6.318
   96   1HG   GLU  14           HG2      GLU  14  -5.335   6.240  -8.095
   97   2HG   GLU  14           HG1      GLU  14  -5.524   7.901  -8.662
   98    H    GLU  15           HN       GLU  15  -7.994   6.829  -6.892
   99    HA   GLU  15           HA       GLU  15  -8.366   4.387  -5.484
  100   1HB   GLU  15           HB2      GLU  15  -9.387   5.769  -7.893
  101   2HB   GLU  15           HB1      GLU  15  -9.614   4.020  -7.893
  102   1HG   GLU  15           HG2      GLU  15 -11.328   4.231  -6.456
  103   2HG   GLU  15           HG1      GLU  15 -10.258   5.000  -5.285
  104    H    LEU  16           HN       LEU  16  -7.545   2.359  -5.781
  105    HA   LEU  16           HA       LEU  16  -5.748   1.934  -8.139
  106   1HB   LEU  16           HB2      LEU  16  -4.665   0.247  -6.493
  107   2HB   LEU  16           HB1      LEU  16  -4.398   1.959  -6.187
  108    HG   LEU  16           HG       LEU  16  -6.708   0.525  -4.889
  109   1HD1  LEU  16          2HD1      LEU  16  -3.876   0.046  -4.469
  110   2HD1  LEU  16          1HD1      LEU  16  -4.627   0.708  -3.017
  111   3HD1  LEU  16          3HD1      LEU  16  -5.262  -0.770  -3.743
  112   1HD2  LEU  16          3HD2      LEU  16  -5.862   3.166  -4.901
  113   2HD2  LEU  16          2HD2      LEU  16  -6.897   2.433  -3.673
  114   3HD2  LEU  16          1HD2      LEU  16  -5.156   2.534  -3.413
  115    H    GLY  17           HN       GLY  17  -8.331   0.708  -6.137
  116   1HA   GLY  17           HA1      GLY  17  -9.206  -1.090  -8.249
  117   2HA   GLY  17           HA2      GLY  17 -10.021  -0.820  -6.714
  118    H    ASN  18           HN       ASN  18  -6.626  -1.835  -6.922
  119    HA   ASN  18           HA       ASN  18  -6.747  -3.887  -5.039
  120   1HB   ASN  18           HB2      ASN  18  -6.949  -5.877  -6.730
  121   2HB   ASN  18           HB1      ASN  18  -8.423  -5.083  -6.186
  122   1HD2  ASN  18          1HD2      ASN  18  -5.962  -4.706  -8.809
  123   2HD2  ASN  18          2HD2      ASN  18  -7.091  -4.293 -10.007
  124    H    GLU  19           HN       GLU  19  -4.728  -2.144  -6.044
  125    HA   GLU  19           HA       GLU  19  -2.898  -3.344  -7.873
  126   1HB   GLU  19           HB2      GLU  19  -2.809  -1.012  -7.053
  127   2HB   GLU  19           HB1      GLU  19  -2.415  -1.594  -5.435
  128   1HG   GLU  19           HG2      GLU  19  -0.239  -1.626  -5.995
  129   2HG   GLU  19           HG1      GLU  19  -0.594  -2.833  -7.233
  130    H    ARG  20           HN       ARG  20  -1.989  -5.368  -7.620
  131    HA   ARG  20           HA       ARG  20  -2.001  -6.837  -5.168
  132   1HB   ARG  20           HB2      ARG  20  -0.080  -7.216  -7.475
  133   2HB   ARG  20           HB1      ARG  20  -0.779  -8.454  -6.431
  134   1HG   ARG  20           HG2      ARG  20  -2.369  -8.716  -8.013
  135   2HG   ARG  20           HG1      ARG  20  -3.000  -7.151  -7.498
  136   1HD   ARG  20           HD2      ARG  20  -1.137  -6.195  -9.109
  137   2HD   ARG  20           HD1      ARG  20  -1.258  -7.800  -9.858
  138    HE   ARG  20           HE       ARG  20  -3.895  -7.082  -9.549
  139   1HH1  ARG  20          1HH1      ARG  20  -3.574  -7.187 -12.240
  140   2HH1  ARG  20          2HH1      ARG  20  -3.390  -5.564 -12.817
  141   1HH2  ARG  20          1HH2      ARG  20  -2.593  -4.264  -9.703
  142   2HH2  ARG  20          2HH2      ARG  20  -2.835  -3.910 -11.381
  143    H    PHE  21           HN       PHE  21  -1.022  -5.628  -3.495
  144    HA   PHE  21           HA       PHE  21   1.939  -5.649  -3.522
  145   1HB   PHE  21           HB2      PHE  21   1.442  -3.467  -4.411
  146   2HB   PHE  21           HB1      PHE  21   0.179  -3.203  -3.209
  147    HD1  PHE  21           HD1      PHE  21   3.201  -4.913  -2.103
  148    HD2  PHE  21           HD2      PHE  21   1.347  -1.068  -2.592
  149    HE1  PHE  21           HE1      PHE  21   4.863  -3.912  -0.559
  150    HE2  PHE  21           HE2      PHE  21   3.008  -0.070  -1.054
  151    HZ   PHE  21           HZ       PHE  21   4.766  -1.491  -0.033
  152    H    ARG  22           HN       ARG  22   1.902  -7.144  -1.773
  153    HA   ARG  22           HA       ARG  22   0.183  -6.740   0.550
  154   1HB   ARG  22           HB2      ARG  22   2.657  -8.465   0.238
  155   2HB   ARG  22           HB1      ARG  22   1.309  -8.724   1.346
  156   1HG   ARG  22           HG2      ARG  22  -0.161  -8.803  -0.784
  157   2HG   ARG  22           HG1      ARG  22   1.357  -9.034  -1.651
  158   1HD   ARG  22           HD2      ARG  22   1.684 -10.860   0.333
  159   2HD   ARG  22           HD1      ARG  22  -0.082 -10.903   0.150
  160    HE   ARG  22           HE       ARG  22   0.993 -10.869  -2.457
  161   1HH1  ARG  22          1HH1      ARG  22  -0.735 -13.000  -2.280
  162   2HH1  ARG  22          2HH1      ARG  22   0.229 -14.412  -2.001
  163   1HH2  ARG  22          1HH2      ARG  22   3.015 -12.628  -0.959
  164   2HH2  ARG  22          2HH2      ARG  22   2.352 -14.201  -1.253
  165    H    ALA  23           HN       ALA  23   0.698  -4.695   1.476
  166    HA   ALA  23           HA       ALA  23   3.500  -4.452   2.515
  167   1HB   ALA  23           HB1      ALA  23   1.766  -2.058   2.169
  168   2HB   ALA  23           HB3      ALA  23   3.491  -2.248   1.854
  169   3HB   ALA  23           HB2      ALA  23   2.311  -2.855   0.693
  170    H    CYS  24           HN       CYS  24   0.275  -4.908   3.365
  171    HA   CYS  24           HA       CYS  24   0.719  -4.864   6.158
  172   1HB   CYS  24           HB2      CYS  24   1.089  -2.586   6.225
  173   2HB   CYS  24           HB1      CYS  24   0.063  -2.265   4.837
  174    H    GLY  25           HN       GLY  25  -1.389  -4.905   7.381
  175   1HA   GLY  25           HA1      GLY  25  -3.236  -6.648   7.009
  176   2HA   GLY  25           HA2      GLY  25  -3.678  -5.665   5.610
  177    H    CYS  26           HN       CYS  26  -3.556  -3.113   6.546
  178    HA   CYS  26           HA       CYS  26  -4.694  -2.726   9.168
  179   1HB   CYS  26           HB2      CYS  26  -4.000  -1.187   6.754
  180   2HB   CYS  26           HB1      CYS  26  -5.359  -0.517   7.655
  181    H    THR  27           HN       THR  27  -6.900  -1.014   8.578
  182    HA   THR  27           HA       THR  27  -8.870  -2.954   7.413
  183    HB   THR  27           HB       THR  27 -10.240  -1.513   9.319
  184    HG1  THR  27           HG1      THR  27  -7.939  -2.222  10.687
  185   1HG2  THR  27          2HG2      THR  27  -8.770  -4.146   9.432
  186   2HG2  THR  27          1HG2      THR  27  -9.788  -3.594  10.762
  187   3HG2  THR  27          3HG2      THR  27 -10.491  -3.865   9.168
  188    H    GLY  28           HN       GLY  28  -7.537  -0.511   6.183
  189   1HA   GLY  28           HA1      GLY  28  -9.212   1.739   6.177
  190   2HA   GLY  28           HA2      GLY  28  -9.929   0.613   5.029
  191    H    GLU  29           HN       GLU  29  -8.342   3.275   4.892
  192    HA   GLU  29           HA       GLU  29  -7.362   3.124   2.299
  193   1HB   GLU  29           HB2      GLU  29  -6.373   5.241   2.794
  194   2HB   GLU  29           HB1      GLU  29  -7.775   5.106   3.852
  195   1HG   GLU  29           HG2      GLU  29  -4.958   4.364   4.687
  196   2HG   GLU  29           HG1      GLU  29  -5.706   5.924   5.021
  197    H    LEU  30           HN       LEU  30  -5.525   2.373   5.283
  198    HA   LEU  30           HA       LEU  30  -2.995   2.130   3.888
  199   1HB   LEU  30           HB2      LEU  30  -3.754   2.427   6.455
  200   2HB   LEU  30           HB1      LEU  30  -3.503   0.680   6.439
  201    HG   LEU  30           HG       LEU  30  -1.402   1.711   7.044
  202   1HD1  LEU  30          1HD1      LEU  30  -1.357  -0.201   5.425
  203   2HD1  LEU  30          3HD1      LEU  30  -1.293   0.969   4.106
  204   3HD1  LEU  30          2HD1      LEU  30   0.032   0.874   5.266
  205   1HD2  LEU  30          1HD2      LEU  30  -2.008   3.476   4.671
  206   2HD2  LEU  30          3HD2      LEU  30  -1.564   3.948   6.311
  207   3HD2  LEU  30          2HD2      LEU  30  -0.349   3.264   5.231
  208    H    GLU  31           HN       GLU  31  -5.747   0.131   4.008
  209    HA   GLU  31           HA       GLU  31  -4.409  -2.455   3.830
  210   1HB   GLU  31           HB2      GLU  31  -6.789  -1.934   4.579
  211   2HB   GLU  31           HB1      GLU  31  -7.173  -1.625   2.886
  212   1HG   GLU  31           HG2      GLU  31  -7.686  -3.977   3.695
  213   2HG   GLU  31           HG1      GLU  31  -6.654  -3.884   2.268
  214    H    ASN  32           HN       ASN  32  -5.770  -0.121   1.495
  215    HA   ASN  32           HA       ASN  32  -4.498  -1.703  -0.717
  216   1HB   ASN  32           HB2      ASN  32  -6.721   0.362  -0.765
  217   2HB   ASN  32           HB1      ASN  32  -6.186  -0.621  -2.125
  218   1HD2  ASN  32          1HD2      ASN  32  -8.558  -0.448   0.190
  219   2HD2  ASN  32          2HD2      ASN  32  -8.984  -2.090   0.283
  220    H    VAL  33           HN       VAL  33  -2.637  -0.737  -1.463
  221    HA   VAL  33           HA       VAL  33  -2.602   2.211  -1.766
  222    HB   VAL  33           HB       VAL  33  -1.769   1.949   0.456
  223   1HG1  VAL  33          2HG1      VAL  33  -1.373  -0.564   0.117
  224   2HG1  VAL  33          1HG1      VAL  33   0.200  -0.118  -0.542
  225   3HG1  VAL  33          3HG1      VAL  33  -0.202   0.280   1.129
  226   1HG2  VAL  33          2HG2      VAL  33  -0.322   3.109  -1.499
  227   2HG2  VAL  33          1HG2      VAL  33   0.206   3.091   0.185
  228   3HG2  VAL  33          3HG2      VAL  33   0.848   1.907  -0.955
  229    H    HIS  34           HN       HIS  34  -1.306   2.855  -3.487
  230    HA   HIS  34           HA       HIS  34  -0.436   0.949  -5.445
  231   1HB   HIS  34           HB2      HIS  34   0.139   3.849  -4.867
  232   2HB   HIS  34           HB1      HIS  34   0.790   3.048  -6.291
  233    HD2  HIS  34           HD2      HIS  34  -1.750   1.514  -7.500
  234    HE1  HIS  34           HE1      HIS  34  -3.916   5.111  -6.967
  235    HE2  HIS  34           HE2      HIS  34  -3.866   2.874  -8.127
  236    H    ARG  35           HN       ARG  35   1.432  -0.276  -5.432
  237    HA   ARG  35           HA       ARG  35   3.403  -0.130  -3.350
  238   1HB   ARG  35           HB2      ARG  35   2.711  -2.012  -5.030
  239   2HB   ARG  35           HB1      ARG  35   3.877  -1.248  -6.111
  240   1HG   ARG  35           HG2      ARG  35   5.635  -1.487  -4.400
  241   2HG   ARG  35           HG1      ARG  35   4.473  -2.242  -3.309
  242   1HD   ARG  35           HD2      ARG  35   5.111  -4.221  -4.232
  243   2HD   ARG  35           HD1      ARG  35   4.225  -3.708  -5.682
  244    HE   ARG  35           HE       ARG  35   6.601  -2.391  -5.984
  245   1HH1  ARG  35          1HH1      ARG  35   8.672  -3.268  -6.419
  246   2HH1  ARG  35          2HH1      ARG  35   8.823  -4.983  -6.608
  247   1HH2  ARG  35          1HH2      ARG  35   5.543  -5.640  -5.694
  248   2HH2  ARG  35          2HH2      ARG  35   7.052  -6.325  -6.197
  249    H    SER  36           HN       SER  36   2.903   1.742  -6.174
  250    HA   SER  36           HA       SER  36   5.642   2.453  -6.767
  251   1HB   SER  36           HB2      SER  36   3.751   4.471  -7.528
  252   2HB   SER  36           HB1      SER  36   4.542   3.274  -8.548
  253    HG   SER  36           HG       SER  36   2.143   3.237  -8.373
  254    H    CYS  37           HN       CYS  37   3.033   4.369  -5.181
  255    HA   CYS  37           HA       CYS  37   5.040   6.310  -4.277
  256   1HB   CYS  37           HB2      CYS  37   2.857   7.140  -2.971
  257   2HB   CYS  37           HB1      CYS  37   3.119   7.478  -4.672
  258    HG   CYS  37           HG       CYS  37   0.983   6.305  -5.065
  259    H    LEU  38           HN       LEU  38   3.368   3.562  -2.776
  260    HA   LEU  38           HA       LEU  38   4.091   4.376  -0.068
  261   1HB   LEU  38           HB2      LEU  38   2.264   2.880  -0.259
  262   2HB   LEU  38           HB1      LEU  38   3.127   1.834  -1.388
  263    HG   LEU  38           HG       LEU  38   4.595   1.035   0.349
  264   1HD1  LEU  38          2HD1      LEU  38   4.019   3.534   1.547
  265   2HD1  LEU  38          1HD1      LEU  38   3.454   2.304   2.673
  266   3HD1  LEU  38          3HD1      LEU  38   5.132   2.298   2.131
  267   1HD2  LEU  38          2HD2      LEU  38   1.773   0.729   0.465
  268   2HD2  LEU  38          1HD2      LEU  38   3.003  -0.381   1.073
  269   3HD2  LEU  38          3HD2      LEU  38   2.340   0.865   2.130
  270    H    SER  39           HN       SER  39   5.315   1.719  -2.151
  271    HA   SER  39           HA       SER  39   7.524   0.925  -0.644
  272   1HB   SER  39           HB2      SER  39   8.248  -0.062  -2.675
  273   2HB   SER  39           HB1      SER  39   6.506   0.096  -2.883
  274    HG   SER  39           HG       SER  39   6.916   2.055  -4.003
  275    H    THR  40           HN       THR  40   7.233   3.739  -2.800
  276    HA   THR  40           HA       THR  40  10.065   4.466  -2.493
  277    HB   THR  40           HB       THR  40   8.557   4.851  -4.518
  278    HG1  THR  40           HG1      THR  40  10.487   5.971  -4.322
  279   1HG2  THR  40          1HG2      THR  40   7.434   6.925  -2.621
  280   2HG2  THR  40          3HG2      THR  40   7.201   6.979  -4.368
  281   3HG2  THR  40          2HG2      THR  40   6.559   5.629  -3.435
  282    H    TRP  41           HN       TRP  41   6.949   5.399  -1.092
  283    HA   TRP  41           HA       TRP  41   7.807   7.781   0.250
  284   1HB   TRP  41           HB2      TRP  41   5.494   7.419   0.062
  285   2HB   TRP  41           HB1      TRP  41   5.620   5.731   0.548
  286    HD1  TRP  41           HD1      TRP  41   5.781   9.282   2.008
  287    HE1  TRP  41           HE1      TRP  41   5.211   9.163   4.519
  288    HE3  TRP  41           HE3      TRP  41   5.519   4.216   2.619
  289    HZ2  TRP  41           HZ2      TRP  41   4.704   7.183   6.521
  290    HZ3  TRP  41           HZ3      TRP  41   4.981   3.243   4.836
  291    HH2  TRP  41           HH2      TRP  41   4.580   4.720   6.786
  292    H    LEU  42           HN       LEU  42   7.330   4.481   1.594
  293    HA   LEU  42           HA       LEU  42   8.484   4.898   4.127
  294   1HB   LEU  42           HB2      LEU  42   8.998   2.407   3.932
  295   2HB   LEU  42           HB1      LEU  42   7.332   2.858   3.577
  296    HG   LEU  42           HG       LEU  42   8.384   3.084   1.097
  297   1HD1  LEU  42          1HD1      LEU  42  10.629   2.373   1.847
  298   2HD1  LEU  42          3HD1      LEU  42   9.942   0.860   2.441
  299   3HD1  LEU  42          2HD1      LEU  42   9.931   1.216   0.714
  300   1HD2  LEU  42          3HD2      LEU  42   6.964   1.018   2.627
  301   2HD2  LEU  42          2HD2      LEU  42   6.606   1.675   1.030
  302   3HD2  LEU  42          1HD2      LEU  42   7.799   0.389   1.207
  303    H    THR  43           HN       THR  43  10.015   4.631   0.992
  304    HA   THR  43           HA       THR  43  12.686   4.000   1.884
  305    HB   THR  43           HB       THR  43  11.758   5.543  -0.561
  306    HG1  THR  43           HG1      THR  43  12.209   2.785  -0.521
  307   1HG2  THR  43          1HG2      THR  43  14.243   4.008   0.171
  308   2HG2  THR  43          3HG2      THR  43  13.776   4.228  -1.515
  309   3HG2  THR  43          2HG2      THR  43  14.109   5.633  -0.502
  310    H    ILE  44           HN       ILE  44  11.001   7.078   1.198
  311    HA   ILE  44           HA       ILE  44  13.308   8.731   1.836
  312    HB   ILE  44           HB       ILE  44  10.331   9.197   1.514
  313   1HG1  ILE  44          2HG1      ILE  44  12.123  10.556  -0.314
  314   2HG1  ILE  44          1HG1      ILE  44  12.460   8.824  -0.297
  315   1HG2  ILE  44          3HG2      ILE  44  12.186  10.862   2.864
  316   2HG2  ILE  44          2HG2      ILE  44  11.920  11.592   1.281
  317   3HG2  ILE  44          1HG2      ILE  44  10.551  11.278   2.349
  318   1HD1  ILE  44          1HD1      ILE  44   9.677   8.961  -0.290
  319   2HD1  ILE  44          3HD1      ILE  44  10.161  10.249  -1.393
  320   3HD1  ILE  44          2HD1      ILE  44  10.693   8.593  -1.684
  321    H    SER  45           HN       SER  45  10.385   7.676   3.594
  322    HA   SER  45           HA       SER  45  11.185   9.128   6.031
  323   1HB   SER  45           HB2      SER  45   8.818   8.684   5.116
  324   2HB   SER  45           HB1      SER  45   9.030   7.031   5.686
  325    HG   SER  45           HG       SER  45   8.060   8.268   7.296
  326    H    ARG  46           HN       ARG  46  12.320   6.394   4.591
  327    HA   ARG  46           HA       ARG  46  13.482   4.497   5.373
  328   1HB   ARG  46           HB2      ARG  46  13.729   6.675   7.382
  329   2HB   ARG  46           HB1      ARG  46  14.224   5.067   7.915
  330   1HG   ARG  46           HG2      ARG  46  15.321   5.243   5.380
  331   2HG   ARG  46           HG1      ARG  46  15.521   6.878   6.011
  332   1HD   ARG  46           HD2      ARG  46  17.352   6.081   7.104
  333   2HD   ARG  46           HD1      ARG  46  16.217   5.223   8.165
  334    HE   ARG  46           HE       ARG  46  16.328   3.316   6.530
  335   1HH1  ARG  46          1HH1      ARG  46  17.580   4.229   4.163
  336   2HH1  ARG  46          2HH1      ARG  46  19.270   3.930   4.393
  337   1HH2  ARG  46          1HH2      ARG  46  19.014   3.597   7.835
  338   2HH2  ARG  46          2HH2      ARG  46  20.082   3.572   6.472
  339    H    ASN  47           HN       ASN  47  11.304   3.378   5.307
  340    HA   ASN  47           HA       ASN  47  10.633   2.351   8.026
  341   1HB   ASN  47           HB2      ASN  47   8.926   3.871   6.106
  342   2HB   ASN  47           HB1      ASN  47   8.168   2.521   6.953
  343   1HD2  ASN  47          1HD2      ASN  47   7.320   5.158   7.534
  344   2HD2  ASN  47          2HD2      ASN  47   7.831   5.574   9.098
  345    H    THR  48           HN       THR  48   9.797   0.176   7.951
  346    HA   THR  48           HA       THR  48   9.915  -1.113   5.243
  347    HB   THR  48           HB       THR  48  10.922  -3.059   6.584
  348    HG1  THR  48           HG1      THR  48  10.212  -1.839   8.590
  349   1HG2  THR  48          1HG2      THR  48  12.228  -0.413   6.055
  350   2HG2  THR  48          3HG2      THR  48  13.156  -1.684   6.851
  351   3HG2  THR  48          2HG2      THR  48  12.476  -1.961   5.248
  352    H    ALA  49           HN       ALA  49   8.234  -0.799   8.280
  353    HA   ALA  49           HA       ALA  49   6.186  -2.726   7.276
  354   1HB   ALA  49           HB3      ALA  49   8.016  -3.555   9.027
  355   2HB   ALA  49           HB2      ALA  49   6.939  -2.755  10.173
  356   3HB   ALA  49           HB1      ALA  49   6.333  -4.068   9.163
  357    H    CYS  50           HN       CYS  50   4.074  -2.246   7.967
  358    HA   CYS  50           HA       CYS  50   3.400   0.461   8.542
  359   1HB   CYS  50           HB2      CYS  50   1.967  -1.331   7.518
  360   2HB   CYS  50           HB1      CYS  50   1.825  -2.073   9.111
  361    HG   CYS  50           HG       CYS  50   0.268   0.352   8.164
  362    H    GLN  51           HN       GLN  51   3.020   1.530  10.500
  363    HA   GLN  51           HA       GLN  51   3.935   0.126  12.960
  364   1HB   GLN  51           HB2      GLN  51   3.494   3.012  12.152
  365   2HB   GLN  51           HB1      GLN  51   3.931   2.540  13.795
  366   1HG   GLN  51           HG2      GLN  51   5.588   1.379  11.622
  367   2HG   GLN  51           HG1      GLN  51   5.769   3.112  11.893
  368   1HE2  GLN  51          1HE2      GLN  51   5.583   0.077  13.848
  369   2HE2  GLN  51          2HE2      GLN  51   6.762   0.558  14.970
  370    H    ILE  52           HN       ILE  52   1.068   0.325  11.481
  371    HA   ILE  52           HA       ILE  52  -0.526   1.192  13.839
  372    HB   ILE  52           HB       ILE  52  -1.215   0.408  10.989
  373   1HG1  ILE  52          2HG1      ILE  52   0.047   2.574  11.403
  374   2HG1  ILE  52          1HG1      ILE  52  -1.529   2.772  10.635
  375   1HG2  ILE  52          3HG2      ILE  52  -2.871   0.514  13.307
  376   2HG2  ILE  52          2HG2      ILE  52  -3.260   1.919  12.314
  377   3HG2  ILE  52          1HG2      ILE  52  -3.369   0.298  11.629
  378   1HD1  ILE  52          3HD1      ILE  52  -1.396   2.837  13.623
  379   2HD1  ILE  52          2HD1      ILE  52  -0.839   4.253  12.732
  380   3HD1  ILE  52          1HD1      ILE  52  -2.495   3.681  12.533
  381    H    CYS  53           HN       CYS  53   0.036  -1.668  11.789
  382    HA   CYS  53           HA       CYS  53  -1.345  -3.318  13.884
  383   1HB   CYS  53           HB2      CYS  53  -1.787  -4.854  11.884
  384   2HB   CYS  53           HB1      CYS  53  -2.646  -3.315  11.871
  385    HG   CYS  53           HG       CYS  53  -1.551  -3.523   9.533
  386    H    GLY  54           HN       GLY  54   1.544  -2.757  12.070
  387   1HA   GLY  54           HA1      GLY  54   2.859  -4.969  13.516
  388   2HA   GLY  54           HA2      GLY  54   3.677  -3.687  12.626
  389    H    VAL  55           HN       VAL  55   2.556  -3.875  10.108
  390    HA   VAL  55           HA       VAL  55   3.199  -6.698   9.313
  391    HB   VAL  55           HB       VAL  55   1.394  -4.713   7.898
  392   1HG1  VAL  55          1HG1      VAL  55   1.931  -7.679   7.629
  393   2HG1  VAL  55          3HG1      VAL  55   0.532  -6.892   6.897
  394   3HG1  VAL  55          2HG1      VAL  55   2.162  -6.426   6.409
  395   1HG2  VAL  55          3HG2      VAL  55   0.742  -5.555  10.314
  396   2HG2  VAL  55          2HG2      VAL  55  -0.460  -5.589   9.025
  397   3HG2  VAL  55          1HG2      VAL  55   0.389  -7.066   9.478
  398    H    VAL  56           HN       VAL  56   5.069  -6.804   8.139
  399    HA   VAL  56           HA       VAL  56   6.580  -4.528   7.322
  400    HB   VAL  56           HB       VAL  56   6.678  -7.354   6.233
  401   1HG1  VAL  56          2HG1      VAL  56   8.435  -4.967   6.173
  402   2HG1  VAL  56          1HG1      VAL  56   9.241  -6.496   6.531
  403   3HG1  VAL  56          3HG1      VAL  56   8.323  -6.312   5.036
  404   1HG2  VAL  56          3HG2      VAL  56   6.866  -6.490   8.924
  405   2HG2  VAL  56          2HG2      VAL  56   7.301  -8.073   8.280
  406   3HG2  VAL  56          1HG2      VAL  56   8.519  -6.802   8.392
  407    H    TYR  57           HN       TYR  57   6.956  -3.670   5.207
  408    HA   TYR  57           HA       TYR  57   4.637  -3.534   3.489
  409   1HB   TYR  57           HB2      TYR  57   7.510  -2.680   3.057
  410   2HB   TYR  57           HB1      TYR  57   6.111  -2.085   2.165
  411    HD1  TYR  57           HD1      TYR  57   8.159  -0.552   4.016
  412    HD2  TYR  57           HD2      TYR  57   4.206  -2.113   4.576
  413    HE1  TYR  57           HE1      TYR  57   7.743   1.135   5.785
  414    HE2  TYR  57           HE2      TYR  57   3.782  -0.437   6.335
  415    HH   TYR  57           HH       TYR  57   5.221   2.215   6.735
  416    H    ASN  58           HN       ASN  58   7.709  -5.267   3.367
  417    HA   ASN  58           HA       ASN  58   8.486  -6.937   1.870
  418   1HB   ASN  58           HB2      ASN  58   6.127  -7.633   2.966
  419   2HB   ASN  58           HB1      ASN  58   5.639  -7.605   1.271
  420   1HD2  ASN  58          1HD2      ASN  58   8.035  -8.516   0.041
  421   2HD2  ASN  58          2HD2      ASN  58   8.331 -10.114   0.533
  422    H    THR  59           HN       THR  59   9.095  -5.139   0.320
  423    HA   THR  59           HA       THR  59   7.312  -5.123  -2.095
  424    HB   THR  59           HB       THR  59   8.244  -2.891  -2.507
  425    HG1  THR  59           HG1      THR  59   9.997  -3.756  -0.555
  426   1HG2  THR  59          3HG2      THR  59   7.016  -3.570   0.120
  427   2HG2  THR  59          2HG2      THR  59   7.624  -1.927  -0.089
  428   3HG2  THR  59          1HG2      THR  59   6.394  -2.559  -1.184
  429    H    ARG  60           HN       ARG  60   8.187  -6.152  -3.841
  430    HA   ARG  60           HA       ARG  60  11.008  -7.005  -3.794
  431   1HB   ARG  60           HB2      ARG  60   8.484  -7.690  -5.097
  432   2HB   ARG  60           HB1      ARG  60   9.834  -7.691  -6.233
  433   1HG   ARG  60           HG2      ARG  60  10.453  -8.951  -3.645
  434   2HG   ARG  60           HG1      ARG  60   9.198  -9.782  -4.566
  435   1HD   ARG  60           HD2      ARG  60  10.752  -9.685  -6.579
  436   2HD   ARG  60           HD1      ARG  60  12.023  -9.141  -5.465
  437    HE   ARG  60           HE       ARG  60  10.896 -11.375  -4.227
  438   1HH1  ARG  60          1HH1      ARG  60  13.734 -11.029  -5.449
  439   2HH1  ARG  60          2HH1      ARG  60  13.803 -12.438  -6.455
  440   1HH2  ARG  60          1HH2      ARG  60  10.393 -13.042  -6.299
  441   2HH2  ARG  60          2HH2      ARG  60  11.912 -13.577  -6.936

  No H/Q in entry =         441
  Start of MODEL   11
    1    H1   MET   1           HT3      MET   1  15.059   4.817   1.294
    2    H2   MET   1           HT2      MET   1  13.596   4.542   0.475
    3    H3   MET   1           HT1      MET   1  14.008   3.596   1.825
    4    HA   MET   1           HA       MET   1  14.599   2.142   0.174
    5   1HB   MET   1           HB2      MET   1  14.695   4.732  -1.265
    6   2HB   MET   1           HB1      MET   1  15.762   3.479  -1.901
    7   1HG   MET   1           HG2      MET   1  13.993   2.523  -2.907
    8   2HG   MET   1           HG1      MET   1  13.284   2.224  -1.320
    9   1HE   MET   1           HE3      MET   1  13.873   4.204  -4.207
   10   2HE   MET   1           HE2      MET   1  12.365   5.038  -4.572
   11   3HE   MET   1           HE1      MET   1  13.594   5.843  -3.600
   12    H    GLU   2           HN       GLU   2  16.252   1.506   1.682
   13    HA   GLU   2           HA       GLU   2  18.955   2.689   1.123
   14   1HB   GLU   2           HB2      GLU   2  17.789   1.577   3.698
   15   2HB   GLU   2           HB1      GLU   2  19.423   2.216   3.514
   16   1HG   GLU   2           HG2      GLU   2  18.626   4.420   3.092
   17   2HG   GLU   2           HG1      GLU   2  16.974   3.854   2.839
   18    H    ASP   3           HN       ASP   3  20.735   1.045   1.725
   19    HA   ASP   3           HA       ASP   3  20.688  -1.246   0.171
   20   1HB   ASP   3           HB2      ASP   3  22.044  -0.633   2.808
   21   2HB   ASP   3           HB1      ASP   3  22.444  -2.057   1.845
   22    H    GLU   4           HN       GLU   4  19.465  -0.893   3.477
   23    HA   GLU   4           HA       GLU   4  18.008  -3.473   3.150
   24   1HB   GLU   4           HB2      GLU   4  19.942  -2.690   5.347
   25   2HB   GLU   4           HB1      GLU   4  18.787  -4.012   5.524
   26   1HG   GLU   4           HG2      GLU   4  19.756  -5.213   3.677
   27   2HG   GLU   4           HG1      GLU   4  20.764  -3.834   3.236
   28    H    ASP   5           HN       ASP   5  15.969  -3.392   4.082
   29    HA   ASP   5           HA       ASP   5  15.188  -1.818   6.327
   30   1HB   ASP   5           HB2      ASP   5  15.823  -0.254   4.155
   31   2HB   ASP   5           HB1      ASP   5  14.081  -0.447   3.958
   32    H    VAL   6           HN       VAL   6  13.241  -2.668   6.961
   33    HA   VAL   6           HA       VAL   6  11.623  -4.137   4.914
   34    HB   VAL   6           HB       VAL   6  11.483  -4.356   7.928
   35   1HG1  VAL   6          1HG1      VAL   6   9.736  -5.385   6.354
   36   2HG1  VAL   6          3HG1      VAL   6  11.020  -6.465   5.810
   37   3HG1  VAL   6          2HG1      VAL   6  10.504  -6.486   7.497
   38   1HG2  VAL   6          3HG2      VAL   6  13.681  -5.069   6.165
   39   2HG2  VAL   6          2HG2      VAL   6  13.591  -5.166   7.924
   40   3HG2  VAL   6          1HG2      VAL   6  13.002  -6.503   6.935
   41    HA   PRO   7           HA       PRO   7   8.821  -0.691   5.629
   42   1HB   PRO   7           HB2      PRO   7   7.115  -1.333   3.590
   43   2HB   PRO   7           HB1      PRO   7   8.653  -0.486   3.330
   44   1HG   PRO   7           HG2      PRO   7   7.985  -3.357   2.944
   45   2HG   PRO   7           HG1      PRO   7   9.004  -2.294   1.961
   46   1HD   PRO   7           HD2      PRO   7  10.000  -4.118   3.727
   47   2HD   PRO   7           HD1      PRO   7  10.845  -2.618   3.286
   48    H    VAL   8           HN       VAL   8   6.504  -0.600   6.240
   49    HA   VAL   8           HA       VAL   8   5.352  -3.256   7.007
   50    HB   VAL   8           HB       VAL   8   5.157  -0.795   8.738
   51   1HG1  VAL   8          3HG1      VAL   8   3.726  -2.819   9.137
   52   2HG1  VAL   8          2HG1      VAL   8   5.201  -3.748   9.408
   53   3HG1  VAL   8          1HG1      VAL   8   4.783  -2.421  10.491
   54   1HG2  VAL   8          3HG2      VAL   8   7.495  -2.632   8.358
   55   2HG2  VAL   8          2HG2      VAL   8   7.478  -0.906   8.721
   56   3HG2  VAL   8          1HG2      VAL   8   7.123  -2.078   9.991
   57    H    CYS   9           HN       CYS   9   3.152  -3.419   6.614
   58    HA   CYS   9           HA       CYS   9   1.839  -1.451   4.985
   59   1HB   CYS   9           HB2      CYS   9   1.271  -3.795   4.876
   60   2HB   CYS   9           HB1      CYS   9   0.891  -3.837   6.597
   61    H    TRP  10           HN       TRP  10   1.215   0.513   5.770
   62    HA   TRP  10           HA       TRP  10   0.873   1.163   8.538
   63   1HB   TRP  10           HB2      TRP  10  -0.044   3.264   7.558
   64   2HB   TRP  10           HB1      TRP  10   1.444   2.754   6.759
   65    HD1  TRP  10           HD1      TRP  10   1.306   1.956   4.266
   66    HE1  TRP  10           HE1      TRP  10  -0.562   2.037   2.491
   67    HE3  TRP  10           HE3      TRP  10  -2.692   3.118   7.233
   68    HZ2  TRP  10           HZ2      TRP  10  -3.373   2.528   2.346
   69    HZ3  TRP  10           HZ3      TRP  10  -4.951   3.386   6.247
   70    HH2  TRP  10           HH2      TRP  10  -5.295   3.091   3.809
   71    H    ILE  11           HN       ILE  11  -1.214  -0.505   6.390
   72    HA   ILE  11           HA       ILE  11  -3.742   0.424   7.530
   73    HB   ILE  11           HB       ILE  11  -3.178  -2.082   5.924
   74   1HG1  ILE  11          2HG1      ILE  11  -3.341   0.820   5.082
   75   2HG1  ILE  11          1HG1      ILE  11  -2.084  -0.355   4.695
   76   1HG2  ILE  11          2HG2      ILE  11  -5.568  -0.228   6.170
   77   2HG2  ILE  11          1HG2      ILE  11  -5.462  -1.584   5.047
   78   3HG2  ILE  11          3HG2      ILE  11  -5.456  -1.877   6.786
   79   1HD1  ILE  11          2HD1      ILE  11  -3.778  -1.664   3.395
   80   2HD1  ILE  11          1HD1      ILE  11  -4.946  -0.376   3.693
   81   3HD1  ILE  11          3HD1      ILE  11  -3.499  -0.050   2.739
   82    H    CYS  12           HN       CYS  12  -2.050  -2.753   7.637
   83    HA   CYS  12           HA       CYS  12  -3.634  -3.416  10.078
   84   1HB   CYS  12           HB2      CYS  12  -3.083  -5.698   9.508
   85   2HB   CYS  12           HB1      CYS  12  -3.552  -4.886   8.015
   86    H    ASN  13           HN       ASN  13  -0.729  -1.987   9.430
   87    HA   ASN  13           HA       ASN  13   1.236  -1.694  10.705
   88   1HB   ASN  13           HB2      ASN  13  -0.889  -2.670  12.573
   89   2HB   ASN  13           HB1      ASN  13   0.765  -2.585  13.179
   90   1HD2  ASN  13          1HD2      ASN  13   1.887  -0.390  12.836
   91   2HD2  ASN  13          2HD2      ASN  13   0.926   1.007  12.920
   92    H    GLU  14           HN       GLU  14   1.679  -3.716   9.071
   93    HA   GLU  14           HA       GLU  14   3.053  -5.747  10.759
   94   1HB   GLU  14           HB2      GLU  14   0.864  -6.692  10.228
   95   2HB   GLU  14           HB1      GLU  14   1.075  -6.296   8.522
   96   1HG   GLU  14           HG2      GLU  14   3.159  -7.765   8.570
   97   2HG   GLU  14           HG1      GLU  14   2.619  -8.322  10.154
   98    H    GLU  15           HN       GLU  15   5.017  -6.365   9.834
   99    HA   GLU  15           HA       GLU  15   6.088  -4.802   7.666
  100   1HB   GLU  15           HB2      GLU  15   6.897  -6.884   9.560
  101   2HB   GLU  15           HB1      GLU  15   7.699  -7.047   7.997
  102   1HG   GLU  15           HG2      GLU  15   8.638  -4.880   8.120
  103   2HG   GLU  15           HG1      GLU  15   7.528  -4.380   9.396
  104    H    LEU  16           HN       LEU  16   6.499  -5.384   5.544
  105    HA   LEU  16           HA       LEU  16   5.331  -7.967   4.596
  106   1HB   LEU  16           HB2      LEU  16   4.136  -6.813   2.885
  107   2HB   LEU  16           HB1      LEU  16   3.860  -5.892   4.358
  108    HG   LEU  16           HG       LEU  16   5.961  -5.211   2.280
  109   1HD1  LEU  16          3HD1      LEU  16   3.161  -4.204   2.788
  110   2HD1  LEU  16          2HD1      LEU  16   4.353  -3.252   1.905
  111   3HD1  LEU  16          1HD1      LEU  16   3.834  -4.817   1.276
  112   1HD2  LEU  16          2HD2      LEU  16   5.160  -4.095   4.927
  113   2HD2  LEU  16          1HD2      LEU  16   6.743  -4.108   4.150
  114   3HD2  LEU  16          3HD2      LEU  16   5.524  -2.934   3.648
  115    H    GLY  17           HN       GLY  17   7.969  -5.859   4.638
  116   1HA   GLY  17           HA1      GLY  17   9.542  -7.574   2.928
  117   2HA   GLY  17           HA2      GLY  17  10.107  -6.115   3.727
  118    H    ASN  18           HN       ASN  18   7.364  -6.171   1.468
  119    HA   ASN  18           HA       ASN  18   7.673  -4.008  -0.067
  120   1HB   ASN  18           HB2      ASN  18  10.033  -4.245  -0.385
  121   2HB   ASN  18           HB1      ASN  18   9.883  -5.956  -0.789
  122   1HD2  ASN  18          1HD2      ASN  18   9.895  -6.398  -3.001
  123   2HD2  ASN  18          2HD2      ASN  18   9.514  -5.279  -4.219
  124    H    GLU  19           HN       GLU  19   5.514  -5.447   0.089
  125    HA   GLU  19           HA       GLU  19   5.201  -7.590  -1.821
  126   1HB   GLU  19           HB2      GLU  19   3.767  -6.871   0.233
  127   2HB   GLU  19           HB1      GLU  19   3.010  -5.734  -0.885
  128   1HG   GLU  19           HG2      GLU  19   2.262  -7.496  -2.322
  129   2HG   GLU  19           HG1      GLU  19   3.265  -8.687  -1.494
  130    H    ARG  20           HN       ARG  20   5.115  -7.380  -4.025
  131    HA   ARG  20           HA       ARG  20   5.341  -4.875  -5.373
  132   1HB   ARG  20           HB2      ARG  20   5.315  -7.659  -5.939
  133   2HB   ARG  20           HB1      ARG  20   4.128  -6.915  -7.012
  134   1HG   ARG  20           HG2      ARG  20   6.174  -5.117  -7.185
  135   2HG   ARG  20           HG1      ARG  20   7.069  -6.621  -6.962
  136   1HD   ARG  20           HD2      ARG  20   5.412  -7.545  -8.799
  137   2HD   ARG  20           HD1      ARG  20   5.244  -5.827  -9.212
  138    HE   ARG  20           HE       ARG  20   7.668  -7.433  -9.549
  139   1HH1  ARG  20          1HH1      ARG  20   6.558  -5.106 -11.249
  140   2HH1  ARG  20          2HH1      ARG  20   7.782  -3.911 -10.982
  141   1HH2  ARG  20          1HH2      ARG  20   9.157  -5.547  -8.249
  142   2HH2  ARG  20          2HH2      ARG  20   9.254  -4.160  -9.282
  143    H    PHE  21           HN       PHE  21   3.669  -3.437  -4.755
  144    HA   PHE  21           HA       PHE  21   1.026  -3.980  -5.991
  145   1HB   PHE  21           HB2      PHE  21   0.823  -4.860  -3.745
  146   2HB   PHE  21           HB1      PHE  21   1.562  -3.414  -3.063
  147    HD1  PHE  21           HD1      PHE  21  -0.604  -2.720  -5.860
  148    HD2  PHE  21           HD2      PHE  21  -0.558  -3.426  -1.621
  149    HE1  PHE  21           HE1      PHE  21  -2.840  -1.671  -5.657
  150    HE2  PHE  21           HE2      PHE  21  -2.791  -2.381  -1.423
  151    HZ   PHE  21           HZ       PHE  21  -3.936  -1.499  -3.437
  152    H    ARG  22           HN       ARG  22   1.300  -2.193  -7.404
  153    HA   ARG  22           HA       ARG  22   2.303   0.382  -6.501
  154   1HB   ARG  22           HB2      ARG  22   1.402  -0.959  -8.929
  155   2HB   ARG  22           HB1      ARG  22   0.827   0.707  -8.863
  156   1HG   ARG  22           HG2      ARG  22   3.036   0.610  -9.940
  157   2HG   ARG  22           HG1      ARG  22   3.139   1.475  -8.406
  158   1HD   ARG  22           HD2      ARG  22   3.967  -0.573  -7.295
  159   2HD   ARG  22           HD1      ARG  22   3.867  -1.445  -8.837
  160    HE   ARG  22           HE       ARG  22   5.370   1.018  -9.109
  161   1HH1  ARG  22          1HH1      ARG  22   6.712  -0.598 -10.714
  162   2HH1  ARG  22          2HH1      ARG  22   7.877  -1.488  -9.791
  163   1HH2  ARG  22          1HH2      ARG  22   6.353  -0.840  -6.745
  164   2HH2  ARG  22          2HH2      ARG  22   7.673  -1.625  -7.545
  165    H    ALA  23           HN       ALA  23   0.922   0.947  -4.692
  166    HA   ALA  23           HA       ALA  23  -1.959   1.438  -5.358
  167   1HB   ALA  23           HB3      ALA  23  -0.362   0.777  -2.914
  168   2HB   ALA  23           HB2      ALA  23  -1.843   1.711  -2.705
  169   3HB   ALA  23           HB1      ALA  23  -1.905   0.115  -3.452
  170    H    CYS  24           HN       CYS  24   1.013   2.938  -4.183
  171    HA   CYS  24           HA       CYS  24   0.195   5.568  -5.027
  172   1HB   CYS  24           HB2      CYS  24  -1.259   5.801  -3.262
  173   2HB   CYS  24           HB1      CYS  24  -0.430   4.594  -2.289
  174    H    GLY  25           HN       GLY  25   1.813   7.228  -4.271
  175   1HA   GLY  25           HA1      GLY  25   4.222   7.502  -4.636
  176   2HA   GLY  25           HA2      GLY  25   4.471   5.931  -3.869
  177    H    CYS  26           HN       CYS  26   2.805   8.988  -3.022
  178    HA   CYS  26           HA       CYS  26   3.085  10.363  -1.109
  179   1HB   CYS  26           HB2      CYS  26   2.453   7.581  -0.449
  180   2HB   CYS  26           HB1      CYS  26   3.209   8.437   0.894
  181    H    THR  27           HN       THR  27   4.437  10.163   1.210
  182    HA   THR  27           HA       THR  27   7.267   9.517   0.448
  183    HB   THR  27           HB       THR  27   6.661  11.790   2.283
  184    HG1  THR  27           HG1      THR  27   5.815  13.020   0.773
  185   1HG2  THR  27          2HG2      THR  27   8.948  10.927   1.350
  186   2HG2  THR  27          1HG2      THR  27   8.476  11.793  -0.112
  187   3HG2  THR  27          3HG2      THR  27   8.647  12.664   1.412
  188    H    GLY  28           HN       GLY  28   4.983   8.290   2.241
  189   1HA   GLY  28           HA1      GLY  28   5.074   8.237   4.843
  190   2HA   GLY  28           HA2      GLY  28   6.776   7.863   4.586
  191    H    GLU  29           HN       GLU  29   4.729   6.219   5.877
  192    HA   GLU  29           HA       GLU  29   5.406   3.641   5.006
  193   1HB   GLU  29           HB2      GLU  29   3.515   2.967   6.399
  194   2HB   GLU  29           HB1      GLU  29   4.318   4.349   7.148
  195   1HG   GLU  29           HG2      GLU  29   2.610   5.782   5.810
  196   2HG   GLU  29           HG1      GLU  29   1.705   4.277   5.643
  197    H    LEU  30           HN       LEU  30   2.745   5.715   3.888
  198    HA   LEU  30           HA       LEU  30   1.131   3.883   2.551
  199   1HB   LEU  30           HB2      LEU  30   1.341   6.595   2.753
  200   2HB   LEU  30           HB1      LEU  30   1.777   6.355   1.058
  201    HG   LEU  30           HG       LEU  30  -0.659   6.631   1.267
  202   1HD1  LEU  30          1HD1      LEU  30   0.480   4.907  -0.316
  203   2HD1  LEU  30          3HD1      LEU  30  -0.168   3.696   0.789
  204   3HD1  LEU  30          2HD1      LEU  30  -1.262   4.782  -0.069
  205   1HD2  LEU  30          1HD2      LEU  30  -0.208   4.862   3.538
  206   2HD2  LEU  30          3HD2      LEU  30  -1.619   5.856   3.164
  207   3HD2  LEU  30          2HD2      LEU  30  -1.476   4.235   2.480
  208    H    GLU  31           HN       GLU  31   4.392   4.840   1.724
  209    HA   GLU  31           HA       GLU  31   4.467   4.180  -1.038
  210   1HB   GLU  31           HB2      GLU  31   6.521   3.791   1.169
  211   2HB   GLU  31           HB1      GLU  31   6.885   3.815  -0.557
  212   1HG   GLU  31           HG2      GLU  31   5.301   6.127   0.200
  213   2HG   GLU  31           HG1      GLU  31   6.778   6.034   1.159
  214    H    ASN  32           HN       ASN  32   4.924   2.094   1.837
  215    HA   ASN  32           HA       ASN  32   4.694  -0.298   0.050
  216   1HB   ASN  32           HB2      ASN  32   5.936   0.194   2.773
  217   2HB   ASN  32           HB1      ASN  32   5.795  -1.408   2.051
  218   1HD2  ASN  32          1HD2      ASN  32   7.834   1.297   2.269
  219   2HD2  ASN  32          2HD2      ASN  32   8.826   0.969   0.930
  220    H    VAL  33           HN       VAL  33   2.715  -1.310   0.199
  221    HA   VAL  33           HA       VAL  33   1.378  -1.416   2.854
  222    HB   VAL  33           HB       VAL  33   0.463   0.557   1.809
  223   1HG1  VAL  33          1HG1      VAL  33   1.211  -0.077  -0.513
  224   2HG1  VAL  33          3HG1      VAL  33  -0.173  -1.167  -0.599
  225   3HG1  VAL  33          2HG1      VAL  33  -0.427   0.571  -0.438
  226   1HG2  VAL  33          3HG2      VAL  33  -1.133  -0.978   2.921
  227   2HG2  VAL  33          2HG2      VAL  33  -1.893  -0.109   1.589
  228   3HG2  VAL  33          1HG2      VAL  33  -1.407  -1.792   1.381
  229    H    HIS  34           HN       HIS  34   0.300  -3.330   3.162
  230    HA   HIS  34           HA       HIS  34   0.749  -5.582   1.493
  231   1HB   HIS  34           HB2      HIS  34  -0.943  -4.800   3.806
  232   2HB   HIS  34           HB1      HIS  34  -1.389  -6.289   2.973
  233    HD2  HIS  34           HD2      HIS  34   1.734  -7.365   2.371
  234    HE1  HIS  34           HE1      HIS  34   2.170  -7.109   6.572
  235    HE2  HIS  34           HE2      HIS  34   3.114  -8.075   4.447
  236    H    ARG  35           HN       ARG  35  -0.257  -6.172  -0.394
  237    HA   ARG  35           HA       ARG  35  -2.431  -4.636  -1.538
  238   1HB   ARG  35           HB2      ARG  35  -0.692  -5.733  -2.860
  239   2HB   ARG  35           HB1      ARG  35  -1.157  -7.306  -2.211
  240   1HG   ARG  35           HG2      ARG  35  -2.868  -7.512  -3.673
  241   2HG   ARG  35           HG1      ARG  35  -3.418  -5.861  -3.376
  242   1HD   ARG  35           HD2      ARG  35  -2.609  -5.330  -5.427
  243   2HD   ARG  35           HD1      ARG  35  -0.982  -5.595  -4.769
  244    HE   ARG  35           HE       ARG  35  -2.602  -7.861  -5.867
  245   1HH1  ARG  35          1HH1      ARG  35  -1.444  -8.044  -8.053
  246   2HH1  ARG  35          2HH1      ARG  35   0.271  -8.241  -7.907
  247   1HH2  ARG  35          1HH2      ARG  35   0.369  -7.242  -4.588
  248   2HH2  ARG  35          2HH2      ARG  35   1.297  -7.788  -5.945
  249    H    SER  36           HN       SER  36  -2.284  -7.277   0.646
  250    HA   SER  36           HA       SER  36  -4.834  -8.507  -0.028
  251   1HB   SER  36           HB2      SER  36  -4.391  -9.635   2.191
  252   2HB   SER  36           HB1      SER  36  -3.062  -9.758   1.041
  253    HG   SER  36           HG       SER  36  -2.907  -8.858   3.450
  254    H    CYS  37           HN       CYS  37  -3.800  -6.578   2.825
  255    HA   CYS  37           HA       CYS  37  -6.598  -6.161   3.597
  256   1HB   CYS  37           HB2      CYS  37  -5.436  -4.695   5.381
  257   2HB   CYS  37           HB1      CYS  37  -5.117  -6.421   5.406
  258    HG   CYS  37           HG       CYS  37  -2.959  -4.542   5.352
  259    H    LEU  38           HN       LEU  38  -4.232  -4.328   1.752
  260    HA   LEU  38           HA       LEU  38  -5.598  -1.768   2.116
  261   1HB   LEU  38           HB2      LEU  38  -3.271  -1.753   1.579
  262   2HB   LEU  38           HB1      LEU  38  -3.504  -2.855   0.223
  263    HG   LEU  38           HG       LEU  38  -4.681  -1.174  -1.041
  264   1HD1  LEU  38          2HD1      LEU  38  -5.096  -0.045   1.599
  265   2HD1  LEU  38          1HD1      LEU  38  -4.492   1.177   0.481
  266   3HD1  LEU  38          3HD1      LEU  38  -5.963   0.283   0.099
  267   1HD2  LEU  38          3HD2      LEU  38  -2.025  -0.967  -0.386
  268   2HD2  LEU  38          2HD2      LEU  38  -2.828   0.024  -1.604
  269   3HD2  LEU  38          1HD2      LEU  38  -2.615   0.639   0.035
  270    H    SER  39           HN       SER  39  -5.227  -3.884  -0.762
  271    HA   SER  39           HA       SER  39  -7.102  -2.676  -2.451
  272   1HB   SER  39           HB2      SER  39  -5.550  -4.555  -2.981
  273   2HB   SER  39           HB1      SER  39  -6.566  -5.636  -2.032
  274    HG   SER  39           HG       SER  39  -6.869  -5.327  -4.481
  275    H    THR  40           HN       THR  40  -7.666  -5.028   0.161
  276    HA   THR  40           HA       THR  40 -10.545  -5.191  -0.352
  277    HB   THR  40           HB       THR  40  -8.985  -6.965   0.628
  278    HG1  THR  40           HG1      THR  40 -10.655  -7.302   2.438
  279   1HG2  THR  40          1HG2      THR  40  -7.940  -5.234   2.210
  280   2HG2  THR  40          3HG2      THR  40  -9.387  -5.433   3.198
  281   3HG2  THR  40          2HG2      THR  40  -8.324  -6.809   2.903
  282    H    TRP  41           HN       TRP  41  -8.406  -3.447   1.881
  283    HA   TRP  41           HA       TRP  41 -10.414  -2.430   3.645
  284   1HB   TRP  41           HB2      TRP  41  -8.161  -2.258   4.316
  285   2HB   TRP  41           HB1      TRP  41  -7.646  -1.618   2.758
  286    HD1  TRP  41           HD1      TRP  41  -9.668  -0.580   5.869
  287    HE1  TRP  41           HE1      TRP  41  -9.552   1.986   6.095
  288    HE3  TRP  41           HE3      TRP  41  -7.142   0.569   1.584
  289    HZ2  TRP  41           HZ2      TRP  41  -8.521   4.228   4.650
  290    HZ3  TRP  41           HZ3      TRP  41  -6.601   2.925   1.035
  291    HH2  TRP  41           HH2      TRP  41  -7.289   4.755   2.560
  292    H    LEU  42           HN       LEU  42  -8.804  -0.770   0.890
  293    HA   LEU  42           HA       LEU  42 -10.409   1.533   0.810
  294   1HB   LEU  42           HB2      LEU  42  -9.809   1.472  -1.671
  295   2HB   LEU  42           HB1      LEU  42  -8.450   1.336  -0.558
  296    HG   LEU  42           HG       LEU  42  -9.021  -1.281  -0.831
  297   1HD1  LEU  42          2HD1      LEU  42 -10.077   0.099  -3.291
  298   2HD1  LEU  42          1HD1      LEU  42  -9.431  -1.541  -3.372
  299   3HD1  LEU  42          3HD1      LEU  42 -10.823  -1.190  -2.347
  300   1HD2  LEU  42          3HD2      LEU  42  -7.180   0.623  -2.041
  301   2HD2  LEU  42          2HD2      LEU  42  -6.870  -1.016  -1.471
  302   3HD2  LEU  42          1HD2      LEU  42  -7.478  -0.751  -3.105
  303    H    THR  43           HN       THR  43 -11.189  -1.743  -0.202
  304    HA   THR  43           HA       THR  43 -13.450  -1.145  -1.872
  305    HB   THR  43           HB       THR  43 -13.209  -3.559  -0.078
  306    HG1  THR  43           HG1      THR  43 -11.634  -2.891  -2.337
  307   1HG2  THR  43          3HG2      THR  43 -15.015  -3.024  -1.953
  308   2HG2  THR  43          2HG2      THR  43 -13.736  -3.604  -3.020
  309   3HG2  THR  43          1HG2      THR  43 -14.369  -4.653  -1.752
  310    H    ILE  44           HN       ILE  44 -13.185  -1.882   1.619
  311    HA   ILE  44           HA       ILE  44 -16.037  -1.454   2.100
  312    HB   ILE  44           HB       ILE  44 -13.559  -1.860   3.790
  313   1HG1  ILE  44          2HG1      ILE  44 -15.149  -3.917   4.369
  314   2HG1  ILE  44          1HG1      ILE  44 -15.848  -3.517   2.800
  315   1HG2  ILE  44          1HG2      ILE  44 -16.128  -0.754   4.576
  316   2HG2  ILE  44          3HG2      ILE  44 -15.823  -2.288   5.391
  317   3HG2  ILE  44          2HG2      ILE  44 -14.666  -0.966   5.539
  318   1HD1  ILE  44          3HD1      ILE  44 -12.865  -3.763   3.114
  319   2HD1  ILE  44          2HD1      ILE  44 -13.858  -5.201   2.881
  320   3HD1  ILE  44          1HD1      ILE  44 -13.840  -3.933   1.655
  321    H    SER  45           HN       SER  45 -13.027   0.350   2.812
  322    HA   SER  45           HA       SER  45 -14.388   2.629   3.982
  323   1HB   SER  45           HB2      SER  45 -12.008   3.608   3.380
  324   2HB   SER  45           HB1      SER  45 -12.151   2.360   4.615
  325    HG   SER  45           HG       SER  45 -10.561   1.755   3.166
  326    H    ARG  46           HN       ARG  46 -13.932   1.535   0.769
  327    HA   ARG  46           HA       ARG  46 -14.394   2.524  -1.320
  328   1HB   ARG  46           HB2      ARG  46 -16.059   3.931   0.729
  329   2HB   ARG  46           HB1      ARG  46 -16.037   4.583  -0.911
  330   1HG   ARG  46           HG2      ARG  46 -17.392   2.939  -1.632
  331   2HG   ARG  46           HG1      ARG  46 -16.278   1.716  -1.020
  332   1HD   ARG  46           HD2      ARG  46 -17.305   1.758   1.167
  333   2HD   ARG  46           HD1      ARG  46 -18.285   3.173   0.735
  334    HE   ARG  46           HE       ARG  46 -19.719   1.745  -0.499
  335   1HH1  ARG  46          1HH1      ARG  46 -19.471   0.076  -2.250
  336   2HH1  ARG  46          2HH1      ARG  46 -18.753  -1.412  -1.731
  337   1HH2  ARG  46          1HH2      ARG  46 -17.607  -0.119   1.275
  338   2HH2  ARG  46          2HH2      ARG  46 -17.698  -1.523   0.265
  339    H    ASN  47           HN       ASN  47 -12.022   3.151  -1.223
  340    HA   ASN  47           HA       ASN  47 -11.722   6.136  -1.127
  341   1HB   ASN  47           HB2      ASN  47 -10.061   3.834  -0.179
  342   2HB   ASN  47           HB1      ASN  47  -9.220   5.275  -0.751
  343   1HD2  ASN  47          1HD2      ASN  47 -10.123   3.969   2.076
  344   2HD2  ASN  47          2HD2      ASN  47 -10.547   5.358   2.954
  345    H    THR  48           HN       THR  48 -10.118   3.262  -2.485
  346    HA   THR  48           HA       THR  48  -9.495   2.744  -4.699
  347    HB   THR  48           HB       THR  48 -10.666   3.753  -6.429
  348    HG1  THR  48           HG1      THR  48 -10.465   5.797  -6.685
  349   1HG2  THR  48          1HG2      THR  48 -12.093   3.259  -4.158
  350   2HG2  THR  48          3HG2      THR  48 -12.540   4.935  -4.478
  351   3HG2  THR  48          2HG2      THR  48 -12.817   3.699  -5.704
  352    H    ALA  49           HN       ALA  49  -8.867   6.030  -3.490
  353    HA   ALA  49           HA       ALA  49  -6.177   5.846  -4.768
  354   1HB   ALA  49           HB2      ALA  49  -8.323   7.436  -5.606
  355   2HB   ALA  49           HB1      ALA  49  -7.274   8.539  -4.715
  356   3HB   ALA  49           HB3      ALA  49  -6.636   7.627  -6.082
  357    H    CYS  50           HN       CYS  50  -4.529   6.938  -3.598
  358    HA   CYS  50           HA       CYS  50  -4.816   7.098  -0.755
  359   1HB   CYS  50           HB2      CYS  50  -2.719   6.745  -2.119
  360   2HB   CYS  50           HB1      CYS  50  -2.777   8.454  -2.546
  361    HG   CYS  50           HG       CYS  50  -1.275   8.028  -0.358
  362    H    GLN  51           HN       GLN  51  -5.201   8.873   0.599
  363    HA   GLN  51           HA       GLN  51  -6.256  11.326  -0.725
  364   1HB   GLN  51           HB2      GLN  51  -6.483  10.040   2.002
  365   2HB   GLN  51           HB1      GLN  51  -7.065  11.679   1.703
  366   1HG   GLN  51           HG2      GLN  51  -7.893   9.532  -0.205
  367   2HG   GLN  51           HG1      GLN  51  -8.662   9.570   1.383
  368   1HE2  GLN  51          1HE2      GLN  51  -8.358  11.282  -1.683
  369   2HE2  GLN  51          2HE2      GLN  51  -9.550  12.447  -1.361
  370    H    ILE  52           HN       ILE  52  -3.307  10.376   0.168
  371    HA   ILE  52           HA       ILE  52  -2.585  12.834   1.700
  372    HB   ILE  52           HB       ILE  52  -1.150  10.237   1.072
  373   1HG1  ILE  52          2HG1      ILE  52  -3.023  10.081   2.695
  374   2HG1  ILE  52          1HG1      ILE  52  -1.465   9.809   3.476
  375   1HG2  ILE  52          3HG2      ILE  52   0.392  12.195   1.279
  376   2HG2  ILE  52          2HG2      ILE  52  -0.282  12.515   2.877
  377   3HG2  ILE  52          1HG2      ILE  52   0.602  11.019   2.575
  378   1HD1  ILE  52          2HD1      ILE  52  -1.431  12.207   4.162
  379   2HD1  ILE  52          1HD1      ILE  52  -3.043  12.397   3.472
  380   3HD1  ILE  52          3HD1      ILE  52  -2.795  11.324   4.849
  381    H    CYS  53           HN       CYS  53  -1.868  11.086  -1.316
  382    HA   CYS  53           HA       CYS  53  -0.330  13.494  -2.242
  383   1HB   CYS  53           HB2      CYS  53   0.994  11.897  -3.549
  384   2HB   CYS  53           HB1      CYS  53   0.974  11.399  -1.857
  385    HG   CYS  53           HG       CYS  53  -0.912   9.644  -2.501
  386    H    GLY  54           HN       GLY  54  -2.995  11.360  -2.836
  387   1HA   GLY  54           HA1      GLY  54  -3.677  12.925  -5.248
  388   2HA   GLY  54           HA2      GLY  54  -4.763  11.840  -4.382
  389    H    VAL  55           HN       VAL  55  -2.660   9.675  -4.378
  390    HA   VAL  55           HA       VAL  55  -2.496   9.028  -7.287
  391    HB   VAL  55           HB       VAL  55  -1.261   7.842  -4.780
  392   1HG1  VAL  55          3HG1      VAL  55  -1.354   6.915  -7.619
  393   2HG1  VAL  55          2HG1      VAL  55   0.171   6.739  -6.750
  394   3HG1  VAL  55          1HG1      VAL  55  -1.291   5.969  -6.131
  395   1HG2  VAL  55          1HG2      VAL  55  -0.472  10.105  -5.757
  396   2HG2  VAL  55          3HG2      VAL  55   0.756   8.865  -5.491
  397   3HG2  VAL  55          2HG2      VAL  55   0.133   9.156  -7.116
  398    H    VAL  56           HN       VAL  56  -3.392   7.040  -8.083
  399    HA   VAL  56           HA       VAL  56  -5.724   6.068  -6.549
  400    HB   VAL  56           HB       VAL  56  -4.636   5.567  -9.334
  401   1HG1  VAL  56          3HG1      VAL  56  -6.520   4.058  -7.773
  402   2HG1  VAL  56          2HG1      VAL  56  -7.377   4.852  -9.095
  403   3HG1  VAL  56          1HG1      VAL  56  -6.013   3.788  -9.442
  404   1HG2  VAL  56          2HG2      VAL  56  -5.684   7.837  -8.592
  405   2HG2  VAL  56          1HG2      VAL  56  -6.284   7.084 -10.070
  406   3HG2  VAL  56          3HG2      VAL  56  -7.207   6.947  -8.573
  407    H    TYR  57           HN       TYR  57  -5.973   3.885  -5.893
  408    HA   TYR  57           HA       TYR  57  -3.552   2.446  -5.206
  409   1HB   TYR  57           HB2      TYR  57  -6.470   1.609  -5.193
  410   2HB   TYR  57           HB1      TYR  57  -5.170   0.851  -4.272
  411    HD1  TYR  57           HD1      TYR  57  -3.696   3.500  -3.674
  412    HD2  TYR  57           HD2      TYR  57  -7.794   2.286  -3.266
  413    HE1  TYR  57           HE1      TYR  57  -4.002   5.154  -1.861
  414    HE2  TYR  57           HE2      TYR  57  -8.103   3.942  -1.448
  415    HH   TYR  57           HH       TYR  57  -6.056   5.143   0.311
  416    H    ASN  58           HN       ASN  58  -3.052   2.560  -7.774
  417    HA   ASN  58           HA       ASN  58  -4.207   0.982  -9.724
  418   1HB   ASN  58           HB2      ASN  58  -1.509   1.872  -8.964
  419   2HB   ASN  58           HB1      ASN  58  -1.508   0.425  -9.973
  420   1HD2  ASN  58          1HD2      ASN  58  -1.976   3.863  -9.995
  421   2HD2  ASN  58          2HD2      ASN  58  -2.452   4.000 -11.619
  422    H    THR  59           HN       THR  59  -4.801  -1.154  -9.780
  423    HA   THR  59           HA       THR  59  -3.178  -3.121  -8.207
  424    HB   THR  59           HB       THR  59  -5.515  -4.172  -7.765
  425    HG1  THR  59           HG1      THR  59  -6.503  -1.593  -7.913
  426   1HG2  THR  59          1HG2      THR  59  -4.483  -1.631  -6.517
  427   2HG2  THR  59          3HG2      THR  59  -5.913  -2.448  -5.888
  428   3HG2  THR  59          2HG2      THR  59  -4.358  -3.281  -5.908
  429    H    ARG  60           HN       ARG  60  -2.418  -4.611  -9.656
  430    HA   ARG  60           HA       ARG  60  -3.662  -4.949 -12.293
  431   1HB   ARG  60           HB2      ARG  60  -1.137  -5.115 -11.256
  432   2HB   ARG  60           HB1      ARG  60  -1.576  -6.822 -11.341
  433   1HG   ARG  60           HG2      ARG  60  -2.472  -5.655 -13.758
  434   2HG   ARG  60           HG1      ARG  60  -0.839  -5.044 -13.489
  435   1HD   ARG  60           HD2      ARG  60  -0.361  -7.601 -12.881
  436   2HD   ARG  60           HD1      ARG  60  -1.750  -7.856 -13.955
  437    HE   ARG  60           HE       ARG  60  -0.146  -5.982 -15.273
  438   1HH1  ARG  60          1HH1      ARG  60   1.922  -7.772 -13.778
  439   2HH1  ARG  60          2HH1      ARG  60   2.335  -8.874 -15.049
  440   1HH2  ARG  60          1HH2      ARG  60  -0.372  -8.013 -17.036
  441   2HH2  ARG  60          2HH2      ARG  60   1.036  -9.011 -16.893

  No H/Q in entry =         441
  Start of MODEL   12
    1    H1   MET   1           HT3      MET   1  -6.203  -4.395 -22.350
    2    H2   MET   1           HT2      MET   1  -6.456  -6.000 -22.847
    3    H3   MET   1           HT1      MET   1  -6.700  -4.721 -23.939
    4    HA   MET   1           HA       MET   1  -8.600  -3.939 -22.713
    5   1HB   MET   1           HB2      MET   1  -8.231  -6.618 -23.839
    6   2HB   MET   1           HB1      MET   1  -9.619  -6.529 -22.753
    7   1HG   MET   1           HG2      MET   1 -10.369  -5.950 -24.985
    8   2HG   MET   1           HG1      MET   1 -10.382  -4.486 -24.001
    9   1HE   MET   1           HE1      MET   1  -8.231  -6.684 -26.379
   10   2HE   MET   1           HE3      MET   1  -9.586  -5.932 -27.232
   11   3HE   MET   1           HE2      MET   1  -7.930  -5.508 -27.656
   12    H    GLU   2           HN       GLU   2  -6.766  -4.159 -20.562
   13    HA   GLU   2           HA       GLU   2  -8.553  -5.248 -18.460
   14   1HB   GLU   2           HB2      GLU   2  -7.208  -7.157 -18.928
   15   2HB   GLU   2           HB1      GLU   2  -5.752  -6.178 -19.108
   16   1HG   GLU   2           HG2      GLU   2  -5.933  -5.563 -16.684
   17   2HG   GLU   2           HG1      GLU   2  -7.279  -6.693 -16.540
   18    H    ASP   3           HN       ASP   3  -5.114  -4.370 -18.411
   19    HA   ASP   3           HA       ASP   3  -5.618  -1.702 -17.316
   20   1HB   ASP   3           HB2      ASP   3  -5.518  -4.051 -15.640
   21   2HB   ASP   3           HB1      ASP   3  -4.160  -2.994 -15.255
   22    H    GLU   4           HN       GLU   4  -3.262  -1.110 -16.147
   23    HA   GLU   4           HA       GLU   4  -1.297  -1.562 -18.329
   24   1HB   GLU   4           HB2      GLU   4  -1.137   0.247 -15.902
   25   2HB   GLU   4           HB1      GLU   4  -0.238   0.398 -17.412
   26   1HG   GLU   4           HG2      GLU   4  -1.889   1.651 -18.278
   27   2HG   GLU   4           HG1      GLU   4  -3.022   0.318 -18.050
   28    H    ASP   5           HN       ASP   5   0.961  -0.970 -16.537
   29    HA   ASP   5           HA       ASP   5   1.918  -3.538 -15.933
   30   1HB   ASP   5           HB2      ASP   5   3.460  -2.218 -14.391
   31   2HB   ASP   5           HB1      ASP   5   3.350  -1.605 -16.042
   32    H    VAL   6           HN       VAL   6   2.167  -4.634 -13.850
   33    HA   VAL   6           HA       VAL   6  -0.011  -3.960 -11.900
   34    HB   VAL   6           HB       VAL   6   1.221  -6.648 -12.571
   35   1HG1  VAL   6          3HG1      VAL   6  -0.567  -5.704 -10.505
   36   2HG1  VAL   6          2HG1      VAL   6  -1.394  -6.875 -11.532
   37   3HG1  VAL   6          1HG1      VAL   6   0.113  -7.316 -10.728
   38   1HG2  VAL   6          1HG2      VAL   6  -0.643  -5.040 -14.044
   39   2HG2  VAL   6          3HG2      VAL   6  -0.083  -6.672 -14.410
   40   3HG2  VAL   6          2HG2      VAL   6  -1.503  -6.435 -13.392
   41    HA   PRO   7           HA       PRO   7   3.723  -3.438  -9.414
   42   1HB   PRO   7           HB2      PRO   7   2.481  -2.009  -7.446
   43   2HB   PRO   7           HB1      PRO   7   3.012  -1.283  -8.977
   44   1HG   PRO   7           HG2      PRO   7   0.295  -2.144  -8.134
   45   2HG   PRO   7           HG1      PRO   7   0.789  -0.734  -9.082
   46   1HD   PRO   7           HD2      PRO   7  -0.272  -3.004 -10.177
   47   2HD   PRO   7           HD1      PRO   7   0.822  -1.904 -11.046
   48    H    VAL   8           HN       VAL   8   4.236  -4.159  -7.168
   49    HA   VAL   8           HA       VAL   8   2.304  -6.237  -6.202
   50    HB   VAL   8           HB       VAL   8   5.304  -6.252  -5.869
   51   1HG1  VAL   8          3HG1      VAL   8   3.754  -7.772  -4.526
   52   2HG1  VAL   8          2HG1      VAL   8   3.334  -8.543  -6.057
   53   3HG1  VAL   8          1HG1      VAL   8   4.997  -8.593  -5.471
   54   1HG2  VAL   8          3HG2      VAL   8   3.732  -6.590  -8.303
   55   2HG2  VAL   8          2HG2      VAL   8   5.483  -6.509  -8.109
   56   3HG2  VAL   8          1HG2      VAL   8   4.644  -8.048  -7.911
   57    H    CYS   9           HN       CYS   9   1.757  -6.199  -4.050
   58    HA   CYS   9           HA       CYS   9   2.287  -3.886  -2.445
   59   1HB   CYS   9           HB2      CYS   9   0.299  -5.255  -2.170
   60   2HB   CYS   9           HB1      CYS   9   1.276  -6.678  -1.817
   61    H    TRP  10           HN       TRP  10   4.156  -3.423  -1.426
   62    HA   TRP  10           HA       TRP  10   6.388  -5.220  -1.244
   63   1HB   TRP  10           HB2      TRP  10   7.353  -3.332   0.022
   64   2HB   TRP  10           HB1      TRP  10   6.475  -2.755  -1.395
   65    HD1  TRP  10           HD1      TRP  10   4.173  -1.495  -1.016
   66    HE1  TRP  10           HE1      TRP  10   3.127  -0.405   1.076
   67    HE3  TRP  10           HE3      TRP  10   7.145  -3.512   2.617
   68    HZ2  TRP  10           HZ2      TRP  10   3.501  -0.392   3.914
   69    HZ3  TRP  10           HZ3      TRP  10   6.779  -2.946   5.001
   70    HH2  TRP  10           HH2      TRP  10   4.963  -1.391   5.653
   71    H    ILE  11           HN       ILE  11   3.610  -4.863   0.783
   72    HA   ILE  11           HA       ILE  11   4.918  -5.667   3.272
   73    HB   ILE  11           HB       ILE  11   1.978  -5.756   2.547
   74   1HG1  ILE  11          2HG1      ILE  11   3.778  -3.421   3.246
   75   2HG1  ILE  11          1HG1      ILE  11   2.711  -3.584   1.852
   76   1HG2  ILE  11          1HG2      ILE  11   2.725  -6.716   4.736
   77   2HG2  ILE  11          3HG2      ILE  11   3.422  -5.149   5.148
   78   3HG2  ILE  11          2HG2      ILE  11   1.680  -5.309   4.927
   79   1HD1  ILE  11          2HD1      ILE  11   0.768  -3.681   3.471
   80   2HD1  ILE  11          1HD1      ILE  11   1.904  -3.248   4.749
   81   3HD1  ILE  11          3HD1      ILE  11   1.607  -2.129   3.419
   82    H    CYS  12           HN       CYS  12   2.497  -7.308   1.180
   83    HA   CYS  12           HA       CYS  12   3.391  -9.907   2.345
   84   1HB   CYS  12           HB2      CYS  12   1.225 -10.696   1.486
   85   2HB   CYS  12           HB1      CYS  12   0.999  -9.230   2.439
   86    H    ASN  13           HN       ASN  13   4.191  -8.038  -0.245
   87    HA   ASN  13           HA       ASN  13   5.199  -8.521  -2.329
   88   1HB   ASN  13           HB2      ASN  13   5.548 -10.883  -0.554
   89   2HB   ASN  13           HB1      ASN  13   5.870 -11.147  -2.268
   90   1HD2  ASN  13          1HD2      ASN  13   6.993  -8.699  -3.041
   91   2HD2  ASN  13          2HD2      ASN  13   8.431  -8.431  -2.181
   92    H    GLU  14           HN       GLU  14   2.676  -8.281  -2.870
   93    HA   GLU  14           HA       GLU  14   1.977 -10.640  -4.550
   94   1HB   GLU  14           HB2      GLU  14   0.806 -11.022  -2.482
   95   2HB   GLU  14           HB1      GLU  14   0.296  -9.336  -2.393
   96   1HG   GLU  14           HG2      GLU  14  -0.917  -9.747  -4.616
   97   2HG   GLU  14           HG1      GLU  14  -0.645 -11.465  -4.319
   98    H    GLU  15           HN       GLU  15   1.371  -9.919  -6.552
   99    HA   GLU  15           HA       GLU  15   1.321  -7.193  -7.330
  100   1HB   GLU  15           HB2      GLU  15   0.588  -9.847  -8.408
  101   2HB   GLU  15           HB1      GLU  15  -0.192  -8.478  -9.201
  102   1HG   GLU  15           HG2      GLU  15   1.927  -7.461  -9.710
  103   2HG   GLU  15           HG1      GLU  15   2.789  -8.617  -8.694
  104    H    LEU  16           HN       LEU  16  -0.265  -5.643  -7.264
  105    HA   LEU  16           HA       LEU  16  -2.980  -6.514  -6.356
  106   1HB   LEU  16           HB2      LEU  16  -3.019  -3.996  -5.614
  107   2HB   LEU  16           HB1      LEU  16  -2.118  -5.155  -4.649
  108    HG   LEU  16           HG       LEU  16  -0.770  -3.597  -6.855
  109   1HD1  LEU  16          1HD1      LEU  16  -1.882  -2.586  -4.374
  110   2HD1  LEU  16          3HD1      LEU  16  -0.126  -2.434  -4.372
  111   3HD1  LEU  16          2HD1      LEU  16  -1.075  -1.701  -5.668
  112   1HD2  LEU  16          2HD2      LEU  16   0.094  -5.652  -5.215
  113   2HD2  LEU  16          1HD2      LEU  16   1.149  -4.477  -6.004
  114   3HD2  LEU  16          3HD2      LEU  16   0.629  -4.218  -4.341
  115    H    GLY  17           HN       GLY  17  -1.130  -4.715  -8.703
  116   1HA   GLY  17           HA1      GLY  17  -3.364  -4.733 -10.561
  117   2HA   GLY  17           HA2      GLY  17  -1.756  -4.101 -10.885
  118    H    ASN  18           HN       ASN  18  -3.715  -2.955  -8.155
  119    HA   ASN  18           HA       ASN  18  -3.364  -0.218  -8.672
  120   1HB   ASN  18           HB2      ASN  18  -5.723   0.155  -9.759
  121   2HB   ASN  18           HB1      ASN  18  -4.384  -0.344 -10.789
  122   1HD2  ASN  18          1HD2      ASN  18  -5.004  -1.995 -12.186
  123   2HD2  ASN  18          2HD2      ASN  18  -6.120  -3.220 -11.821
  124    H    GLU  19           HN       GLU  19  -3.802  -1.898  -6.380
  125    HA   GLU  19           HA       GLU  19  -6.440  -1.779  -5.308
  126   1HB   GLU  19           HB2      GLU  19  -3.872  -2.602  -4.552
  127   2HB   GLU  19           HB1      GLU  19  -4.299  -1.370  -3.364
  128   1HG   GLU  19           HG2      GLU  19  -5.076  -3.539  -2.570
  129   2HG   GLU  19           HG1      GLU  19  -6.473  -2.546  -2.990
  130    H    ARG  20           HN       ARG  20  -7.539   0.195  -5.377
  131    HA   ARG  20           HA       ARG  20  -6.330   2.774  -5.169
  132   1HB   ARG  20           HB2      ARG  20  -9.134   1.919  -4.382
  133   2HB   ARG  20           HB1      ARG  20  -8.633   3.517  -4.937
  134   1HG   ARG  20           HG2      ARG  20  -7.730   1.800  -6.940
  135   2HG   ARG  20           HG1      ARG  20  -9.310   1.149  -6.501
  136   1HD   ARG  20           HD2      ARG  20 -10.321   3.392  -6.800
  137   2HD   ARG  20           HD1      ARG  20  -8.733   4.036  -7.267
  138    HE   ARG  20           HE       ARG  20  -8.770   2.507  -9.211
  139   1HH1  ARG  20          1HH1      ARG  20 -10.603   0.399  -8.569
  140   2HH1  ARG  20          2HH1      ARG  20 -12.097   0.881  -9.302
  141   1HH2  ARG  20          1HH2      ARG  20 -11.157   4.201  -9.657
  142   2HH2  ARG  20          2HH2      ARG  20 -12.411   3.034  -9.918
  143    H    PHE  21           HN       PHE  21  -4.942   2.896  -3.361
  144    HA   PHE  21           HA       PHE  21  -6.307   3.176  -0.739
  145   1HB   PHE  21           HB2      PHE  21  -5.653   0.847  -0.831
  146   2HB   PHE  21           HB1      PHE  21  -4.044   1.273  -1.410
  147    HD1  PHE  21           HD1      PHE  21  -5.344   3.571   1.040
  148    HD2  PHE  21           HD2      PHE  21  -3.312  -0.181   0.569
  149    HE1  PHE  21           HE1      PHE  21  -4.540   3.710   3.385
  150    HE2  PHE  21           HE2      PHE  21  -2.508  -0.043   2.902
  151    HZ   PHE  21           HZ       PHE  21  -3.119   1.901   4.317
  152    H    ARG  22           HN       ARG  22  -5.731   5.371  -0.562
  153    HA   ARG  22           HA       ARG  22  -3.121   6.393  -1.323
  154   1HB   ARG  22           HB2      ARG  22  -5.665   7.316  -0.142
  155   2HB   ARG  22           HB1      ARG  22  -4.251   8.222   0.397
  156   1HG   ARG  22           HG2      ARG  22  -4.963   7.685  -2.501
  157   2HG   ARG  22           HG1      ARG  22  -5.260   9.203  -1.653
  158   1HD   ARG  22           HD2      ARG  22  -2.545   8.598  -1.166
  159   2HD   ARG  22           HD1      ARG  22  -2.810   8.288  -2.893
  160    HE   ARG  22           HE       ARG  22  -4.027  10.605  -2.815
  161   1HH1  ARG  22          1HH1      ARG  22  -0.938  10.473  -2.997
  162   2HH1  ARG  22          2HH1      ARG  22  -0.509  11.710  -1.862
  163   1HH2  ARG  22          1HH2      ARG  22  -3.662  11.857  -0.427
  164   2HH2  ARG  22          2HH2      ARG  22  -2.051  12.493  -0.407
  165    H    ALA  23           HN       ALA  23  -1.642   4.991  -0.114
  166    HA   ALA  23           HA       ALA  23  -1.715   5.363   2.858
  167   1HB   ALA  23           HB3      ALA  23  -0.766   3.254   0.949
  168   2HB   ALA  23           HB2      ALA  23   0.008   3.372   2.529
  169   3HB   ALA  23           HB1      ALA  23  -1.725   3.078   2.416
  170    H    CYS  24           HN       CYS  24   0.018   6.186  -0.006
  171    HA   CYS  24           HA       CYS  24   1.823   7.941   1.325
  172   1HB   CYS  24           HB2      CYS  24   3.041   6.260   2.298
  173   2HB   CYS  24           HB1      CYS  24   2.521   5.061   1.120
  174    H    GLY  25           HN       GLY  25   3.522   8.743  -0.190
  175   1HA   GLY  25           HA1      GLY  25   3.155   9.835  -2.456
  176   2HA   GLY  25           HA2      GLY  25   2.812   8.207  -3.049
  177    H    CYS  26           HN       CYS  26   4.748   6.657  -2.055
  178    HA   CYS  26           HA       CYS  26   7.393   7.898  -2.184
  179   1HB   CYS  26           HB2      CYS  26   6.135   5.328  -1.528
  180   2HB   CYS  26           HB1      CYS  26   7.677   5.143  -2.365
  181    H    THR  27           HN       THR  27   8.843   6.057  -3.677
  182    HA   THR  27           HA       THR  27   7.702   6.352  -6.438
  183    HB   THR  27           HB       THR  27   9.393   8.049  -6.005
  184    HG1  THR  27           HG1      THR  27  10.870   6.113  -7.370
  185   1HG2  THR  27          2HG2      THR  27  10.597   5.876  -4.513
  186   2HG2  THR  27          1HG2      THR  27  11.764   6.599  -5.619
  187   3HG2  THR  27          3HG2      THR  27  10.936   7.604  -4.430
  188    H    GLY  28           HN       GLY  28   8.347   4.103  -4.220
  189   1HA   GLY  28           HA1      GLY  28   9.927   2.125  -4.547
  190   2HA   GLY  28           HA2      GLY  28   9.449   2.195  -6.243
  191    H    GLU  29           HN       GLU  29   9.090   0.070  -4.141
  192    HA   GLU  29           HA       GLU  29   6.583  -0.977  -4.924
  193   1HB   GLU  29           HB2      GLU  29   7.014  -2.569  -3.152
  194   2HB   GLU  29           HB1      GLU  29   8.571  -2.116  -3.847
  195   1HG   GLU  29           HG2      GLU  29   8.763  -0.361  -2.032
  196   2HG   GLU  29           HG1      GLU  29   7.336  -1.079  -1.281
  197    H    LEU  30           HN       LEU  30   7.443   0.990  -2.085
  198    HA   LEU  30           HA       LEU  30   5.113   0.792  -0.563
  199   1HB   LEU  30           HB2      LEU  30   7.422   2.199  -0.485
  200   2HB   LEU  30           HB1      LEU  30   6.298   3.495  -0.904
  201    HG   LEU  30           HG       LEU  30   6.514   3.239   1.557
  202   1HD1  LEU  30          1HD1      LEU  30   4.293   3.744   0.203
  203   2HD1  LEU  30          3HD1      LEU  30   3.788   2.196   0.880
  204   3HD1  LEU  30          2HD1      LEU  30   4.242   3.522   1.952
  205   1HD2  LEU  30          1HD2      LEU  30   6.274   0.447   0.838
  206   2HD2  LEU  30          3HD2      LEU  30   6.688   1.150   2.403
  207   3HD2  LEU  30          2HD2      LEU  30   4.997   0.878   1.981
  208    H    GLU  31           HN       GLU  31   5.457   2.311  -3.686
  209    HA   GLU  31           HA       GLU  31   3.280   4.173  -3.541
  210   1HB   GLU  31           HB2      GLU  31   5.026   2.905  -5.523
  211   2HB   GLU  31           HB1      GLU  31   3.410   3.219  -6.157
  212   1HG   GLU  31           HG2      GLU  31   3.578   5.570  -5.392
  213   2HG   GLU  31           HG1      GLU  31   5.214   5.252  -4.812
  214    H    ASN  32           HN       ASN  32   3.390   0.735  -4.549
  215    HA   ASN  32           HA       ASN  32   0.395   0.729  -4.580
  216   1HB   ASN  32           HB2      ASN  32   2.440  -1.197  -5.725
  217   2HB   ASN  32           HB1      ASN  32   0.701  -1.249  -6.003
  218   1HD2  ASN  32          1HD2      ASN  32   3.560  -0.172  -7.359
  219   2HD2  ASN  32          2HD2      ASN  32   2.944   1.049  -8.365
  220    H    VAL  33           HN       VAL  33  -0.522  -0.180  -2.784
  221    HA   VAL  33           HA       VAL  33   0.729  -2.602  -1.620
  222    HB   VAL  33           HB       VAL  33   1.756  -0.740  -0.432
  223   1HG1  VAL  33          1HG1      VAL  33   0.020   0.950  -0.968
  224   2HG1  VAL  33          3HG1      VAL  33  -1.084   0.149   0.150
  225   3HG1  VAL  33          2HG1      VAL  33   0.385   0.913   0.757
  226   1HG2  VAL  33          1HG2      VAL  33  -0.460  -2.088   1.125
  227   2HG2  VAL  33          3HG2      VAL  33   1.175  -2.700   0.887
  228   3HG2  VAL  33          2HG2      VAL  33   0.909  -1.251   1.858
  229    H    HIS  34           HN       HIS  34  -0.824  -4.006  -0.846
  230    HA   HIS  34           HA       HIS  34  -3.611  -3.603  -1.398
  231   1HB   HIS  34           HB2      HIS  34  -1.995  -5.486   0.301
  232   2HB   HIS  34           HB1      HIS  34  -3.739  -5.649   0.171
  233    HD2  HIS  34           HD2      HIS  34  -4.307  -5.509  -2.967
  234    HE1  HIS  34           HE1      HIS  34  -1.047  -8.160  -3.482
  235    HE2  HIS  34           HE2      HIS  34  -3.117  -7.188  -4.542
  236    H    ARG  35           HN       ARG  35  -5.107  -2.478  -0.180
  237    HA   ARG  35           HA       ARG  35  -4.437  -1.173   2.301
  238   1HB   ARG  35           HB2      ARG  35  -6.406  -1.054   0.353
  239   2HB   ARG  35           HB1      ARG  35  -7.279  -1.682   1.750
  240   1HG   ARG  35           HG2      ARG  35  -5.520   0.434   2.598
  241   2HG   ARG  35           HG1      ARG  35  -6.524   1.002   1.264
  242   1HD   ARG  35           HD2      ARG  35  -7.670  -0.465   3.660
  243   2HD   ARG  35           HD1      ARG  35  -7.577   1.305   3.555
  244    HE   ARG  35           HE       ARG  35  -8.750   0.771   1.194
  245   1HH1  ARG  35          1HH1      ARG  35  -9.682   0.521   4.414
  246   2HH1  ARG  35          2HH1      ARG  35 -11.173  -0.302   4.100
  247   1HH2  ARG  35          1HH2      ARG  35 -10.513  -0.767   0.728
  248   2HH2  ARG  35          2HH2      ARG  35 -11.644  -1.031   2.013
  249    H    SER  36           HN       SER  36  -5.365  -4.376   1.532
  250    HA   SER  36           HA       SER  36  -6.760  -5.053   3.980
  251   1HB   SER  36           HB2      SER  36  -6.318  -6.142   1.483
  252   2HB   SER  36           HB1      SER  36  -5.350  -7.181   2.525
  253    HG   SER  36           HG       SER  36  -7.448  -7.963   2.464
  254    H    CYS  37           HN       CYS  37  -3.503  -6.116   2.835
  255    HA   CYS  37           HA       CYS  37  -2.792  -6.935   5.548
  256   1HB   CYS  37           HB2      CYS  37  -0.579  -7.427   4.417
  257   2HB   CYS  37           HB1      CYS  37  -1.971  -8.223   3.698
  258    HG   CYS  37           HG       CYS  37  -0.198  -6.201   2.310
  259    H    LEU  38           HN       LEU  38  -2.359  -3.985   3.689
  260    HA   LEU  38           HA       LEU  38  -0.094  -3.044   5.291
  261   1HB   LEU  38           HB2      LEU  38  -0.339  -2.206   3.073
  262   2HB   LEU  38           HB1      LEU  38  -2.032  -1.797   3.333
  263    HG   LEU  38           HG       LEU  38  -1.477   0.025   4.769
  264   1HD1  LEU  38          2HD1      LEU  38   0.972  -1.521   5.166
  265   2HD1  LEU  38          1HD1      LEU  38   1.294   0.195   4.923
  266   3HD1  LEU  38          3HD1      LEU  38   0.219  -0.327   6.220
  267   1HD2  LEU  38          1HD2      LEU  38  -0.653  -0.043   2.150
  268   2HD2  LEU  38          3HD2      LEU  38  -0.657   1.404   3.158
  269   3HD2  LEU  38          2HD2      LEU  38   0.822   0.460   2.975
  270    H    SER  39           HN       SER  39  -3.490  -1.894   5.041
  271    HA   SER  39           HA       SER  39  -3.496  -0.184   7.274
  272   1HB   SER  39           HB2      SER  39  -5.790  -0.172   6.905
  273   2HB   SER  39           HB1      SER  39  -5.250  -0.890   5.389
  274    HG   SER  39           HG       SER  39  -6.958  -1.946   6.906
  275    H    THR  40           HN       THR  40  -3.882  -3.708   7.131
  276    HA   THR  40           HA       THR  40  -4.489  -3.932   9.997
  277    HB   THR  40           HB       THR  40  -5.309  -5.422   8.088
  278    HG1  THR  40           HG1      THR  40  -3.928  -6.985   9.954
  279   1HG2  THR  40          2HG2      THR  40  -2.468  -6.453   8.316
  280   2HG2  THR  40          1HG2      THR  40  -3.759  -7.216   7.386
  281   3HG2  THR  40          3HG2      THR  40  -3.159  -5.625   6.922
  282    H    TRP  41           HN       TRP  41  -1.675  -4.305   7.869
  283    HA   TRP  41           HA       TRP  41   0.086  -5.548   9.765
  284   1HB   TRP  41           HB2      TRP  41   0.773  -5.601   7.525
  285   2HB   TRP  41           HB1      TRP  41   0.312  -3.924   7.242
  286    HD1  TRP  41           HD1      TRP  41   3.032  -6.005   9.003
  287    HE1  TRP  41           HE1      TRP  41   5.166  -4.569   9.175
  288    HE3  TRP  41           HE3      TRP  41   1.263  -1.575   7.185
  289    HZ2  TRP  41           HZ2      TRP  41   6.011  -1.893   8.614
  290    HZ3  TRP  41           HZ3      TRP  41   2.753   0.400   7.009
  291    HH2  TRP  41           HH2      TRP  41   5.121   0.248   7.724
  292    H    LEU  42           HN       LEU  42  -0.081  -2.109   8.740
  293    HA   LEU  42           HA       LEU  42   1.668  -1.047  10.678
  294   1HB   LEU  42           HB2      LEU  42   0.303   1.055  10.282
  295   2HB   LEU  42           HB1      LEU  42   0.859   0.253   8.815
  296    HG   LEU  42           HG       LEU  42  -1.494  -1.003   9.069
  297   1HD1  LEU  42          1HD1      LEU  42  -1.774   1.613  10.552
  298   2HD1  LEU  42          3HD1      LEU  42  -3.148   0.850   9.751
  299   3HD1  LEU  42          2HD1      LEU  42  -2.309   0.010  11.054
  300   1HD2  LEU  42          2HD2      LEU  42  -0.483   1.312   7.642
  301   2HD2  LEU  42          1HD2      LEU  42  -1.561   0.041   7.068
  302   3HD2  LEU  42          3HD2      LEU  42  -2.222   1.448   7.901
  303    H    THR  43           HN       THR  43  -1.607  -2.209  11.018
  304    HA   THR  43           HA       THR  43  -2.190  -0.880  13.536
  305    HB   THR  43           HB       THR  43  -3.294  -3.303  12.080
  306    HG1  THR  43           HG1      THR  43  -4.697  -1.893  11.284
  307   1HG2  THR  43          2HG2      THR  43  -3.602  -2.808  14.772
  308   2HG2  THR  43          1HG2      THR  43  -4.997  -1.984  14.076
  309   3HG2  THR  43          3HG2      THR  43  -4.746  -3.703  13.772
  310    H    ILE  44           HN       ILE  44  -1.113  -4.174  12.638
  311    HA   ILE  44           HA       ILE  44  -0.754  -4.988  15.425
  312    HB   ILE  44           HB       ILE  44   0.152  -6.186  12.783
  313   1HG1  ILE  44          2HG1      ILE  44  -2.168  -7.182  14.401
  314   2HG1  ILE  44          1HG1      ILE  44  -2.398  -5.753  13.394
  315   1HG2  ILE  44          1HG2      ILE  44   0.116  -7.186  15.625
  316   2HG2  ILE  44          3HG2      ILE  44  -0.004  -8.316  14.276
  317   3HG2  ILE  44          2HG2      ILE  44   1.416  -7.282  14.436
  318   1HD1  ILE  44          3HD1      ILE  44  -1.152  -8.278  12.303
  319   2HD1  ILE  44          2HD1      ILE  44  -2.898  -8.030  12.304
  320   3HD1  ILE  44          1HD1      ILE  44  -1.852  -6.931  11.406
  321    H    SER  45           HN       SER  45   1.216  -3.594  12.869
  322    HA   SER  45           HA       SER  45   3.737  -4.061  14.347
  323   1HB   SER  45           HB2      SER  45   3.655  -4.283  11.909
  324   2HB   SER  45           HB1      SER  45   3.020  -2.647  11.756
  325    HG   SER  45           HG       SER  45   5.592  -3.539  12.410
  326    H    ARG  46           HN       ARG  46   1.225  -1.825  14.444
  327    HA   ARG  46           HA       ARG  46   1.038   0.222  15.617
  328   1HB   ARG  46           HB2      ARG  46   2.909  -1.150  16.918
  329   2HB   ARG  46           HB1      ARG  46   3.965   0.096  16.251
  330   1HG   ARG  46           HG2      ARG  46   3.218   1.617  17.735
  331   2HG   ARG  46           HG1      ARG  46   1.539   1.276  17.315
  332   1HD   ARG  46           HD2      ARG  46   1.477  -0.611  18.860
  333   2HD   ARG  46           HD1      ARG  46   3.207  -0.419  19.208
  334    HE   ARG  46           HE       ARG  46   2.660   1.829  20.154
  335   1HH1  ARG  46          1HH1      ARG  46   0.768   3.173  20.669
  336   2HH1  ARG  46          2HH1      ARG  46  -0.610   2.338  21.302
  337   1HH2  ARG  46          1HH2      ARG  46   0.599  -0.811  20.506
  338   2HH2  ARG  46          2HH2      ARG  46  -0.706   0.083  21.211
  339    H    ASN  47           HN       ASN  47   1.200   0.589  12.969
  340    HA   ASN  47           HA       ASN  47   3.191   2.810  12.654
  341   1HB   ASN  47           HB2      ASN  47   2.311   0.700  10.656
  342   2HB   ASN  47           HB1      ASN  47   3.383   2.050  10.282
  343   1HD2  ASN  47          1HD2      ASN  47   3.837  -1.025  10.471
  344   2HD2  ASN  47          2HD2      ASN  47   5.214  -1.158  11.454
  345    H    THR  48           HN       THR  48   2.424   4.569  11.310
  346    HA   THR  48           HA       THR  48  -0.496   4.494  10.651
  347    HB   THR  48           HB       THR  48  -0.519   6.864  11.602
  348    HG1  THR  48           HG1      THR  48   1.469   7.512  11.909
  349   1HG2  THR  48          3HG2      THR  48  -0.561   4.310  12.920
  350   2HG2  THR  48          2HG2      THR  48   0.117   5.516  14.014
  351   3HG2  THR  48          1HG2      THR  48  -1.481   5.764  13.308
  352    H    ALA  49           HN       ALA  49   2.699   5.919  10.076
  353    HA   ALA  49           HA       ALA  49   1.705   6.820   7.400
  354   1HB   ALA  49           HB2      ALA  49   2.022   8.553   9.366
  355   2HB   ALA  49           HB1      ALA  49   3.732   8.390   8.967
  356   3HB   ALA  49           HB3      ALA  49   2.591   8.958   7.748
  357    H    CYS  50           HN       CYS  50   3.242   6.660   5.730
  358    HA   CYS  50           HA       CYS  50   5.153   4.600   5.770
  359   1HB   CYS  50           HB2      CYS  50   4.155   5.766   3.790
  360   2HB   CYS  50           HB1      CYS  50   5.178   7.160   4.133
  361    HG   CYS  50           HG       CYS  50   6.317   5.466   2.368
  362    H    GLN  51           HN       GLN  51   7.286   4.480   6.431
  363    HA   GLN  51           HA       GLN  51   8.387   6.733   7.983
  364   1HB   GLN  51           HB2      GLN  51   9.019   3.838   7.469
  365   2HB   GLN  51           HB1      GLN  51  10.250   4.875   8.190
  366   1HG   GLN  51           HG2      GLN  51   9.179   4.937  10.181
  367   2HG   GLN  51           HG1      GLN  51   7.614   5.224   9.419
  368   1HE2  GLN  51          1HE2      GLN  51   9.889   2.650  10.379
  369   2HE2  GLN  51          2HE2      GLN  51   8.750   1.393  10.314
  370    H    ILE  52           HN       ILE  52   8.439   5.816   4.749
  371    HA   ILE  52           HA       ILE  52  11.240   6.553   4.206
  372    HB   ILE  52           HB       ILE  52   8.884   5.954   2.388
  373   1HG1  ILE  52          2HG1      ILE  52  11.078   4.171   3.497
  374   2HG1  ILE  52          1HG1      ILE  52   9.364   4.083   3.903
  375   1HG2  ILE  52          2HG2      ILE  52  11.751   6.572   1.956
  376   2HG2  ILE  52          1HG2      ILE  52  11.126   5.196   1.048
  377   3HG2  ILE  52          3HG2      ILE  52  10.378   6.784   0.869
  378   1HD1  ILE  52          2HD1      ILE  52   9.213   3.931   1.201
  379   2HD1  ILE  52          1HD1      ILE  52  10.780   3.165   1.463
  380   3HD1  ILE  52          3HD1      ILE  52   9.339   2.512   2.241
  381    H    CYS  53           HN       CYS  53   8.004   7.866   3.379
  382    HA   CYS  53           HA       CYS  53   9.329  10.480   2.748
  383   1HB   CYS  53           HB2      CYS  53   7.198  10.866   1.474
  384   2HB   CYS  53           HB1      CYS  53   8.087   9.447   0.918
  385    HG   CYS  53           HG       CYS  53   5.817   8.418   1.275
  386    H    GLY  54           HN       GLY  54   7.198   8.875   4.947
  387   1HA   GLY  54           HA1      GLY  54   6.846  11.407   6.425
  388   2HA   GLY  54           HA2      GLY  54   6.505   9.793   7.045
  389    H    VAL  55           HN       VAL  55   5.012   9.421   4.289
  390    HA   VAL  55           HA       VAL  55   2.689  11.188   4.601
  391    HB   VAL  55           HB       VAL  55   3.193   8.707   2.923
  392   1HG1  VAL  55          1HG1      VAL  55   0.895  10.558   3.227
  393   2HG1  VAL  55          3HG1      VAL  55   1.362  10.188   1.567
  394   3HG1  VAL  55          2HG1      VAL  55   0.926   8.885   2.672
  395   1HG2  VAL  55          1HG2      VAL  55   4.615  10.932   2.702
  396   2HG2  VAL  55          3HG2      VAL  55   4.020  10.110   1.260
  397   3HG2  VAL  55          2HG2      VAL  55   3.168  11.522   1.885
  398    H    VAL  56           HN       VAL  56   0.602  10.502   5.347
  399    HA   VAL  56           HA       VAL  56   0.679   8.338   7.338
  400    HB   VAL  56           HB       VAL  56  -1.702   9.994   6.504
  401   1HG1  VAL  56          2HG1      VAL  56  -0.752   8.574   8.987
  402   2HG1  VAL  56          1HG1      VAL  56  -1.959   9.857   9.085
  403   3HG1  VAL  56          3HG1      VAL  56  -2.291   8.404   8.142
  404   1HG2  VAL  56          1HG2      VAL  56   0.695  10.807   8.173
  405   2HG2  VAL  56          3HG2      VAL  56   0.055  11.621   6.745
  406   3HG2  VAL  56          2HG2      VAL  56  -0.857  11.640   8.255
  407    H    TYR  57           HN       TYR  57  -0.661   6.467   7.279
  408    HA   TYR  57           HA       TYR  57  -1.198   5.373   4.639
  409   1HB   TYR  57           HB2      TYR  57  -2.019   4.406   7.396
  410   2HB   TYR  57           HB1      TYR  57  -1.883   3.423   5.939
  411    HD1  TYR  57           HD1      TYR  57  -0.374   3.229   8.719
  412    HD2  TYR  57           HD2      TYR  57   0.642   4.813   4.858
  413    HE1  TYR  57           HE1      TYR  57   2.029   2.843   9.194
  414    HE2  TYR  57           HE2      TYR  57   3.044   4.426   5.333
  415    HH   TYR  57           HH       TYR  57   4.306   4.025   8.227
  416    H    ASN  58           HN       ASN  58  -2.726   7.407   4.251
  417    HA   ASN  58           HA       ASN  58  -5.295   7.578   5.476
  418   1HB   ASN  58           HB2      ASN  58  -3.800   8.839   3.469
  419   2HB   ASN  58           HB1      ASN  58  -5.244   8.253   2.641
  420   1HD2  ASN  58          1HD2      ASN  58  -5.049  10.997   2.874
  421   2HD2  ASN  58          2HD2      ASN  58  -6.120  11.577   4.057
  422    H    THR  59           HN       THR  59  -6.777   5.933   5.512
  423    HA   THR  59           HA       THR  59  -6.823   3.898   3.366
  424    HB   THR  59           HB       THR  59  -8.677   3.042   4.990
  425    HG1  THR  59           HG1      THR  59  -9.065   4.272   6.628
  426   1HG2  THR  59          1HG2      THR  59  -5.940   2.717   4.888
  427   2HG2  THR  59          3HG2      THR  59  -6.205   3.186   6.567
  428   3HG2  THR  59          2HG2      THR  59  -7.034   1.778   5.903
  429    H    ARG  60           HN       ARG  60  -8.201   4.084   1.641
  430    HA   ARG  60           HA       ARG  60 -10.425   6.075   1.802
  431   1HB   ARG  60           HB2      ARG  60  -8.399   5.491  -0.057
  432   2HB   ARG  60           HB1      ARG  60  -9.881   4.886  -0.798
  433   1HG   ARG  60           HG2      ARG  60 -10.575   7.367   0.339
  434   2HG   ARG  60           HG1      ARG  60  -9.014   7.626  -0.441
  435   1HD   ARG  60           HD2      ARG  60 -10.428   6.064  -2.281
  436   2HD   ARG  60           HD1      ARG  60 -11.625   7.224  -1.673
  437    HE   ARG  60           HE       ARG  60 -10.097   9.043  -2.311
  438   1HH1  ARG  60          1HH1      ARG  60 -10.487   7.489  -4.855
  439   2HH1  ARG  60          2HH1      ARG  60  -8.857   7.295  -5.409
  440   1HH2  ARG  60          1HH2      ARG  60  -7.439   8.097  -2.349
  441   2HH2  ARG  60          2HH2      ARG  60  -7.132   7.639  -3.991

  No H/Q in entry =         441
  Start of MODEL   13
    1    H1   MET   1           HT3      MET   1  -4.901   1.857  11.591
    2    H2   MET   1           HT2      MET   1  -3.522   0.864  11.609
    3    H3   MET   1           HT1      MET   1  -5.048   0.212  11.974
    4    HA   MET   1           HA       MET   1  -4.994   0.902  14.106
    5   1HB   MET   1           HB2      MET   1  -2.673  -0.080  13.227
    6   2HB   MET   1           HB1      MET   1  -2.099   1.528  13.671
    7   1HG   MET   1           HG2      MET   1  -3.305   1.141  15.917
    8   2HG   MET   1           HG1      MET   1  -3.374  -0.556  15.444
    9   1HE   MET   1           HE2      MET   1  -1.755  -1.952  14.901
   10   2HE   MET   1           HE1      MET   1  -0.049  -1.926  15.338
   11   3HE   MET   1           HE3      MET   1  -1.284  -2.123  16.590
   12    H    GLU   2           HN       GLU   2  -5.592   2.755  15.159
   13    HA   GLU   2           HA       GLU   2  -5.155   5.371  13.962
   14   1HB   GLU   2           HB2      GLU   2  -6.467   6.098  15.917
   15   2HB   GLU   2           HB1      GLU   2  -7.191   4.658  15.201
   16   1HG   GLU   2           HG2      GLU   2  -5.484   3.490  16.947
   17   2HG   GLU   2           HG1      GLU   2  -5.828   4.986  17.817
   18    H    ASP   3           HN       ASP   3  -4.871   6.536  16.778
   19    HA   ASP   3           HA       ASP   3  -3.111   7.374  18.109
   20   1HB   ASP   3           HB2      ASP   3  -2.991   4.579  17.972
   21   2HB   ASP   3           HB1      ASP   3  -1.333   5.104  17.680
   22    H    GLU   4           HN       GLU   4  -0.314   6.921  17.809
   23    HA   GLU   4           HA       GLU   4   0.178   8.347  15.223
   24   1HB   GLU   4           HB2      GLU   4   1.821   8.172  17.766
   25   2HB   GLU   4           HB1      GLU   4   2.103   9.270  16.414
   26   1HG   GLU   4           HG2      GLU   4  -0.567   9.273  17.795
   27   2HG   GLU   4           HG1      GLU   4   0.792  10.136  18.519
   28    H    ASP   5           HN       ASP   5   0.560   5.345  16.709
   29    HA   ASP   5           HA       ASP   5   3.025   4.279  16.256
   30   1HB   ASP   5           HB2      ASP   5   1.889   2.202  15.837
   31   2HB   ASP   5           HB1      ASP   5   0.824   3.151  16.876
   32    H    VAL   6           HN       VAL   6   4.354   3.793  14.513
   33    HA   VAL   6           HA       VAL   6   3.639   4.984  11.901
   34    HB   VAL   6           HB       VAL   6   6.175   3.628  12.864
   35   1HG1  VAL   6          1HG1      VAL   6   5.425   4.515  10.334
   36   2HG1  VAL   6          3HG1      VAL   6   6.378   5.850  10.981
   37   3HG1  VAL   6          2HG1      VAL   6   7.077   4.234  10.883
   38   1HG2  VAL   6          2HG2      VAL   6   4.963   6.245  13.487
   39   2HG2  VAL   6          1HG2      VAL   6   6.224   5.359  14.344
   40   3HG2  VAL   6          3HG2      VAL   6   6.635   6.336  12.934
   41    HA   PRO   7           HA       PRO   7   2.505   0.853  10.553
   42   1HB   PRO   7           HB2      PRO   7   1.557   1.622   8.110
   43   2HB   PRO   7           HB1      PRO   7   0.621   1.812   9.606
   44   1HG   PRO   7           HG2      PRO   7   2.176   3.829   8.078
   45   2HG   PRO   7           HG1      PRO   7   0.634   4.001   8.928
   46   1HD   PRO   7           HD2      PRO   7   3.034   4.862   9.927
   47   2HD   PRO   7           HD1      PRO   7   1.642   4.413  10.936
   48    H    VAL   8           HN       VAL   8   3.243  -0.531   8.721
   49    HA   VAL   8           HA       VAL   8   5.738   0.521   7.426
   50    HB   VAL   8           HB       VAL   8   5.192  -2.326   8.288
   51   1HG1  VAL   8          1HG1      VAL   8   7.010  -1.750   6.594
   52   2HG1  VAL   8          3HG1      VAL   8   7.814  -0.869   7.897
   53   3HG1  VAL   8          2HG1      VAL   8   7.555  -2.608   8.037
   54   1HG2  VAL   8          1HG2      VAL   8   6.053   0.058   9.855
   55   2HG2  VAL   8          3HG2      VAL   8   5.189  -1.384  10.389
   56   3HG2  VAL   8          2HG2      VAL   8   6.935  -1.442  10.142
   57    H    CYS   9           HN       CYS   9   6.106  -0.147   5.261
   58    HA   CYS   9           HA       CYS   9   3.769  -0.721   3.667
   59   1HB   CYS   9           HB2      CYS   9   5.576   0.575   2.765
   60   2HB   CYS   9           HB1      CYS   9   6.750  -0.683   3.142
   61    H    TRP  10           HN       TRP  10   2.909  -2.694   3.263
   62    HA   TRP  10           HA       TRP  10   3.987  -5.133   4.353
   63   1HB   TRP  10           HB2      TRP  10   2.029  -6.099   3.192
   64   2HB   TRP  10           HB1      TRP  10   1.596  -4.612   4.033
   65    HD1  TRP  10           HD1      TRP  10   1.097  -2.447   2.572
   66    HE1  TRP  10           HE1      TRP  10   0.507  -2.156   0.078
   67    HE3  TRP  10           HE3      TRP  10   2.431  -7.050   0.801
   68    HZ2  TRP  10           HZ2      TRP  10   0.586  -3.675  -2.347
   69    HZ3  TRP  10           HZ3      TRP  10   2.161  -7.601  -1.600
   70    HH2  TRP  10           HH2      TRP  10   1.241  -5.921  -3.175
   71    H    ILE  11           HN       ILE  11   4.421  -3.536   1.280
   72    HA   ILE  11           HA       ILE  11   5.129  -5.910  -0.239
   73    HB   ILE  11           HB       ILE  11   5.752  -2.979  -0.713
   74   1HG1  ILE  11          2HG1      ILE  11   3.311  -4.671  -1.324
   75   2HG1  ILE  11          1HG1      ILE  11   3.379  -3.236  -0.303
   76   1HG2  ILE  11          2HG2      ILE  11   6.689  -5.113  -2.107
   77   2HG2  ILE  11          1HG2      ILE  11   5.143  -4.871  -2.920
   78   3HG2  ILE  11          3HG2      ILE  11   6.320  -3.559  -2.854
   79   1HD1  ILE  11          1HD1      ILE  11   4.099  -1.920  -2.319
   80   2HD1  ILE  11          3HD1      ILE  11   3.811  -3.359  -3.298
   81   3HD1  ILE  11          2HD1      ILE  11   2.470  -2.588  -2.448
   82    H    CYS  12           HN       CYS  12   7.184  -3.172   0.914
   83    HA   CYS  12           HA       CYS  12   9.526  -5.017   0.703
   84   1HB   CYS  12           HB2      CYS  12  10.800  -2.860   0.763
   85   2HB   CYS  12           HB1      CYS  12   9.640  -2.935  -0.562
   86    H    ASN  13           HN       ASN  13   7.377  -3.987   3.016
   87    HA   ASN  13           HA       ASN  13   7.444  -4.059   5.378
   88   1HB   ASN  13           HB2      ASN  13   9.405  -5.867   4.291
   89   2HB   ASN  13           HB1      ASN  13  10.022  -5.175   5.792
   90   1HD2  ASN  13          1HD2      ASN  13   7.339  -7.068   4.410
   91   2HD2  ASN  13          2HD2      ASN  13   6.771  -7.661   5.896
   92    H    GLU  14           HN       GLU  14   7.844  -1.582   4.827
   93    HA   GLU  14           HA       GLU  14  10.212  -0.744   6.429
   94   1HB   GLU  14           HB2      GLU  14  11.103  -0.555   4.260
   95   2HB   GLU  14           HB1      GLU  14   9.555  -0.079   3.563
   96   1HG   GLU  14           HG2      GLU  14   9.681   2.094   4.673
   97   2HG   GLU  14           HG1      GLU  14  11.172   1.618   5.487
   98    H    GLU  15           HN       GLU  15   9.600   0.857   7.849
   99    HA   GLU  15           HA       GLU  15   6.913   1.692   8.176
  100   1HB   GLU  15           HB2      GLU  15   9.583   2.275   9.230
  101   2HB   GLU  15           HB1      GLU  15   8.485   3.651   9.342
  102   1HG   GLU  15           HG2      GLU  15   7.925   2.569  11.304
  103   2HG   GLU  15           HG1      GLU  15   6.805   1.764  10.205
  104    H    LEU  16           HN       LEU  16   5.728   3.375   7.316
  105    HA   LEU  16           HA       LEU  16   7.160   5.262   5.476
  106   1HB   LEU  16           HB2      LEU  16   4.751   5.315   4.421
  107   2HB   LEU  16           HB1      LEU  16   5.803   3.944   4.087
  108    HG   LEU  16           HG       LEU  16   3.896   3.884   6.420
  109   1HD1  LEU  16          1HD1      LEU  16   3.331   3.513   3.495
  110   2HD1  LEU  16          3HD1      LEU  16   2.503   2.482   4.662
  111   3HD1  LEU  16          2HD1      LEU  16   2.315   4.234   4.745
  112   1HD2  LEU  16          2HD2      LEU  16   5.880   2.169   5.478
  113   2HD2  LEU  16          1HD2      LEU  16   4.586   1.739   6.596
  114   3HD2  LEU  16          3HD2      LEU  16   4.386   1.457   4.868
  115    H    GLY  17           HN       GLY  17   5.145   4.894   8.230
  116   1HA   GLY  17           HA1      GLY  17   5.114   7.798   8.654
  117   2HA   GLY  17           HA2      GLY  17   4.610   6.575   9.816
  118    H    ASN  18           HN       ASN  18   3.400   6.688   6.515
  119    HA   ASN  18           HA       ASN  18   0.789   6.243   6.630
  120   1HB   ASN  18           HB2      ASN  18   0.390   7.576   8.588
  121   2HB   ASN  18           HB1      ASN  18   1.234   8.963   7.898
  122   1HD2  ASN  18          1HD2      ASN  18  -0.258  10.533   7.300
  123   2HD2  ASN  18          2HD2      ASN  18  -1.777  10.226   6.605
  124    H    GLU  19           HN       GLU  19   2.323   6.317   4.496
  125    HA   GLU  19           HA       GLU  19   2.429   8.764   2.988
  126   1HB   GLU  19           HB2      GLU  19   3.824   6.811   2.523
  127   2HB   GLU  19           HB1      GLU  19   2.393   5.835   2.187
  128   1HG   GLU  19           HG2      GLU  19   3.098   6.457   0.037
  129   2HG   GLU  19           HG1      GLU  19   1.863   7.662   0.401
  130    H    ARG  20           HN       ARG  20   0.667   9.855   2.175
  131    HA   ARG  20           HA       ARG  20  -2.003   8.837   2.221
  132   1HB   ARG  20           HB2      ARG  20  -0.697  11.055   0.608
  133   2HB   ARG  20           HB1      ARG  20  -2.437  10.866   0.827
  134   1HG   ARG  20           HG2      ARG  20  -0.656  10.958   3.242
  135   2HG   ARG  20           HG1      ARG  20  -1.090  12.462   2.429
  136   1HD   ARG  20           HD2      ARG  20  -3.456  10.835   2.710
  137   2HD   ARG  20           HD1      ARG  20  -2.669  11.018   4.290
  138    HE   ARG  20           HE       ARG  20  -3.476  13.299   2.532
  139   1HH1  ARG  20          1HH1      ARG  20  -5.138  13.786   4.526
  140   2HH1  ARG  20          2HH1      ARG  20  -4.254  14.429   5.869
  141   1HH2  ARG  20          1HH2      ARG  20  -1.175  13.339   4.703
  142   2HH2  ARG  20          2HH2      ARG  20  -2.010  14.176   5.969
  143    H    PHE  21           HN       PHE  21  -2.118   6.833   1.120
  144    HA   PHE  21           HA       PHE  21  -2.188   7.034  -1.837
  145   1HB   PHE  21           HB2      PHE  21   0.092   6.364  -1.399
  146   2HB   PHE  21           HB1      PHE  21  -0.430   5.179  -0.204
  147    HD1  PHE  21           HD1      PHE  21   1.010   3.596  -1.610
  148    HD2  PHE  21           HD2      PHE  21  -2.609   5.396  -3.078
  149    HE1  PHE  21           HE1      PHE  21   0.868   1.867  -3.375
  150    HE2  PHE  21           HE2      PHE  21  -2.745   3.665  -4.848
  151    HZ   PHE  21           HZ       PHE  21  -1.008   1.901  -4.998
  152    H    ARG  22           HN       ARG  22  -4.440   6.578  -1.791
  153    HA   ARG  22           HA       ARG  22  -5.573   4.486  -0.124
  154   1HB   ARG  22           HB2      ARG  22  -6.526   6.663  -1.362
  155   2HB   ARG  22           HB1      ARG  22  -6.896   5.478  -2.612
  156   1HG   ARG  22           HG2      ARG  22  -8.797   5.153  -1.395
  157   2HG   ARG  22           HG1      ARG  22  -7.749   4.145  -0.396
  158   1HD   ARG  22           HD2      ARG  22  -8.823   5.636   1.139
  159   2HD   ARG  22           HD1      ARG  22  -7.205   6.326   0.898
  160    HE   ARG  22           HE       ARG  22  -9.340   7.239  -0.944
  161   1HH1  ARG  22          1HH1      ARG  22  -8.768   7.885   2.235
  162   2HH1  ARG  22          2HH1      ARG  22  -8.329   9.548   2.032
  163   1HH2  ARG  22          1HH2      ARG  22  -8.143   9.351  -1.425
  164   2HH2  ARG  22          2HH2      ARG  22  -7.976  10.378  -0.040
  165    H    ALA  23           HN       ALA  23  -4.245   2.624  -0.694
  166    HA   ALA  23           HA       ALA  23  -4.482   1.617  -3.488
  167   1HB   ALA  23           HB1      ALA  23  -2.793   1.021  -1.061
  168   2HB   ALA  23           HB2      ALA  23  -2.271   1.551  -2.659
  169   3HB   ALA  23           HB3      ALA  23  -2.838  -0.101  -2.421
  170    H    CYS  24           HN       CYS  24  -5.474   0.879  -0.173
  171    HA   CYS  24           HA       CYS  24  -7.439  -1.063  -1.223
  172   1HB   CYS  24           HB2      CYS  24  -4.878  -1.871  -0.512
  173   2HB   CYS  24           HB1      CYS  24  -5.824  -2.209   0.933
  174    H    GLY  25           HN       GLY  25  -7.870  -2.321   1.296
  175   1HA   GLY  25           HA1      GLY  25  -9.796  -0.955   2.595
  176   2HA   GLY  25           HA2      GLY  25  -8.358  -0.177   3.263
  177    H    CYS  26           HN       CYS  26  -6.984  -2.913   2.820
  178    HA   CYS  26           HA       CYS  26  -8.144  -4.950   4.381
  179   1HB   CYS  26           HB2      CYS  26  -5.241  -4.100   4.142
  180   2HB   CYS  26           HB1      CYS  26  -5.802  -5.702   4.616
  181    H    THR  27           HN       THR  27  -6.601  -5.534   6.536
  182    HA   THR  27           HA       THR  27  -6.893  -3.174   8.365
  183    HB   THR  27           HB       THR  27  -7.716  -4.831  10.035
  184    HG1  THR  27           HG1      THR  27  -7.648  -6.599   7.819
  185   1HG2  THR  27          1HG2      THR  27  -9.150  -3.617   8.167
  186   2HG2  THR  27          3HG2      THR  27  -9.389  -5.268   7.594
  187   3HG2  THR  27          2HG2      THR  27  -9.885  -4.821   9.226
  188    H    GLY  28           HN       GLY  28  -4.470  -4.375   6.978
  189   1HA   GLY  28           HA1      GLY  28  -2.807  -6.000   8.347
  190   2HA   GLY  28           HA2      GLY  28  -2.829  -4.603   9.420
  191    H    GLU  29           HN       GLU  29  -0.683  -5.814   7.678
  192    HA   GLU  29           HA       GLU  29   0.843  -3.588   7.032
  193   1HB   GLU  29           HB2      GLU  29   2.141  -5.150   5.715
  194   2HB   GLU  29           HB1      GLU  29   1.453  -6.043   7.072
  195   1HG   GLU  29           HG2      GLU  29  -0.391  -6.825   5.625
  196   2HG   GLU  29           HG1      GLU  29   0.303  -5.946   4.263
  197    H    LEU  30           HN       LEU  30  -1.521  -5.228   4.928
  198    HA   LEU  30           HA       LEU  30  -0.964  -3.789   2.534
  199   1HB   LEU  30           HB2      LEU  30  -2.497  -5.876   3.258
  200   2HB   LEU  30           HB1      LEU  30  -3.746  -4.634   3.189
  201    HG   LEU  30           HG       LEU  30  -3.512  -5.745   1.003
  202   1HD1  LEU  30          2HD1      LEU  30  -3.927  -3.203   1.326
  203   2HD1  LEU  30          1HD1      LEU  30  -2.276  -3.013   0.735
  204   3HD1  LEU  30          3HD1      LEU  30  -3.496  -3.776  -0.285
  205   1HD2  LEU  30          3HD2      LEU  30  -0.691  -5.403   1.624
  206   2HD2  LEU  30          2HD2      LEU  30  -1.442  -6.419   0.394
  207   3HD2  LEU  30          1HD2      LEU  30  -1.074  -4.730   0.038
  208    H    GLU  31           HN       GLU  31  -2.273  -2.618   5.456
  209    HA   GLU  31           HA       GLU  31  -4.125  -0.660   4.351
  210   1HB   GLU  31           HB2      GLU  31  -2.753  -1.149   6.997
  211   2HB   GLU  31           HB1      GLU  31  -3.779   0.264   6.750
  212   1HG   GLU  31           HG2      GLU  31  -5.649  -1.209   6.091
  213   2HG   GLU  31           HG1      GLU  31  -4.624  -2.621   6.352
  214    H    ASN  32           HN       ASN  32  -0.704  -0.607   5.350
  215    HA   ASN  32           HA       ASN  32  -0.511   2.156   4.189
  216   1HB   ASN  32           HB2      ASN  32   1.188   0.919   6.370
  217   2HB   ASN  32           HB1      ASN  32   1.108   2.617   5.909
  218   1HD2  ASN  32          1HD2      ASN  32  -0.082   0.393   8.145
  219   2HD2  ASN  32          2HD2      ASN  32  -1.460   1.245   8.652
  220    H    VAL  33           HN       VAL  33   0.749   2.190   2.372
  221    HA   VAL  33           HA       VAL  33   3.161   0.453   2.245
  222    HB   VAL  33           HB       VAL  33   1.488  -0.932   1.247
  223   1HG1  VAL  33          2HG1      VAL  33   0.614   1.562  -0.241
  224   2HG1  VAL  33          1HG1      VAL  33  -0.047  -0.052  -0.506
  225   3HG1  VAL  33          3HG1      VAL  33  -0.279   0.752   1.047
  226   1HG2  VAL  33          1HG2      VAL  33   3.661  -0.117  -0.131
  227   2HG2  VAL  33          3HG2      VAL  33   2.520  -1.301  -0.769
  228   3HG2  VAL  33          2HG2      VAL  33   2.399   0.392  -1.251
  229    H    HIS  34           HN       HIS  34   4.816   1.408   1.006
  230    HA   HIS  34           HA       HIS  34   4.644   4.213   0.361
  231   1HB   HIS  34           HB2      HIS  34   6.538   2.093  -0.692
  232   2HB   HIS  34           HB1      HIS  34   6.837   3.823  -0.674
  233    HD2  HIS  34           HD2      HIS  34   6.974   4.895   2.099
  234    HE1  HIS  34           HE1      HIS  34   8.178   1.155   3.666
  235    HE2  HIS  34           HE2      HIS  34   7.981   3.625   4.123
  236    H    ARG  35           HN       ARG  35   3.533   5.069  -1.370
  237    HA   ARG  35           HA       ARG  35   2.326   3.580  -3.462
  238   1HB   ARG  35           HB2      ARG  35   1.995   6.005  -2.632
  239   2HB   ARG  35           HB1      ARG  35   3.347   6.418  -3.687
  240   1HG   ARG  35           HG2      ARG  35   2.132   6.095  -5.597
  241   2HG   ARG  35           HG1      ARG  35   1.219   4.751  -4.909
  242   1HD   ARG  35           HD2      ARG  35  -0.510   6.146  -4.486
  243   2HD   ARG  35           HD1      ARG  35   0.545   7.142  -3.463
  244    HE   ARG  35           HE       ARG  35  -0.288   7.890  -6.070
  245   1HH1  ARG  35          1HH1      ARG  35   1.423   8.461  -7.667
  246   2HH1  ARG  35          2HH1      ARG  35   2.808   9.267  -7.009
  247   1HH2  ARG  35          1HH2      ARG  35   2.004   8.526  -3.718
  248   2HH2  ARG  35          2HH2      ARG  35   3.137   9.304  -4.772
  249    H    SER  36           HN       SER  36   5.605   4.496  -2.965
  250    HA   SER  36           HA       SER  36   6.519   4.595  -5.696
  251   1HB   SER  36           HB2      SER  36   7.803   4.114  -3.002
  252   2HB   SER  36           HB1      SER  36   8.746   4.190  -4.488
  253    HG   SER  36           HG       SER  36   8.696   6.249  -3.815
  254    H    CYS  37           HN       CYS  37   7.067   2.003  -3.236
  255    HA   CYS  37           HA       CYS  37   7.943   0.124  -5.266
  256   1HB   CYS  37           HB2      CYS  37   7.845  -1.472  -3.338
  257   2HB   CYS  37           HB1      CYS  37   8.726   0.004  -2.971
  258    HG   CYS  37           HG       CYS  37   5.750  -0.356  -2.085
  259    H    LEU  38           HN       LEU  38   4.810   0.730  -3.691
  260    HA   LEU  38           HA       LEU  38   3.594  -1.716  -4.699
  261   1HB   LEU  38           HB2      LEU  38   2.709  -0.663  -2.739
  262   2HB   LEU  38           HB1      LEU  38   2.560   0.891  -3.558
  263    HG   LEU  38           HG       LEU  38   0.803   0.046  -4.985
  264   1HD1  LEU  38          1HD1      LEU  38   1.969  -2.500  -4.246
  265   2HD1  LEU  38          3HD1      LEU  38   0.227  -2.516  -3.970
  266   3HD1  LEU  38          2HD1      LEU  38   0.863  -2.127  -5.569
  267   1HD2  LEU  38          3HD2      LEU  38   0.549   0.355  -2.255
  268   2HD2  LEU  38          2HD2      LEU  38  -0.798   0.176  -3.379
  269   3HD2  LEU  38          1HD2      LEU  38  -0.172  -1.232  -2.521
  270    H    SER  39           HN       SER  39   3.010   1.718  -5.573
  271    HA   SER  39           HA       SER  39   1.438   1.349  -7.846
  272   1HB   SER  39           HB2      SER  39   2.222   3.470  -6.637
  273   2HB   SER  39           HB1      SER  39   3.685   3.364  -7.614
  274    HG   SER  39           HG       SER  39   2.585   4.159  -9.207
  275    H    THR  40           HN       THR  40   4.975   1.090  -7.575
  276    HA   THR  40           HA       THR  40   5.306   0.654 -10.466
  277    HB   THR  40           HB       THR  40   7.687   0.314  -9.738
  278    HG1  THR  40           HG1      THR  40   7.901  -0.319  -7.762
  279   1HG2  THR  40          3HG2      THR  40   6.511   2.600 -10.077
  280   2HG2  THR  40          2HG2      THR  40   6.561   2.719  -8.318
  281   3HG2  THR  40          1HG2      THR  40   8.061   2.582  -9.235
  282    H    TRP  41           HN       TRP  41   5.338  -1.297  -7.489
  283    HA   TRP  41           HA       TRP  41   6.190  -3.761  -8.636
  284   1HB   TRP  41           HB2      TRP  41   6.170  -3.588  -6.290
  285   2HB   TRP  41           HB1      TRP  41   4.545  -2.907  -6.257
  286    HD1  TRP  41           HD1      TRP  41   6.353  -6.236  -6.963
  287    HE1  TRP  41           HE1      TRP  41   4.722  -8.170  -6.466
  288    HE3  TRP  41           HE3      TRP  41   2.119  -3.574  -5.933
  289    HZ2  TRP  41           HZ2      TRP  41   1.983  -8.537  -5.725
  290    HZ3  TRP  41           HZ3      TRP  41   0.016  -4.739  -5.332
  291    HH2  TRP  41           HH2      TRP  41  -0.059  -7.215  -5.228
  292    H    LEU  42           HN       LEU  42   2.818  -2.719  -7.902
  293    HA   LEU  42           HA       LEU  42   1.488  -4.861  -9.167
  294   1HB   LEU  42           HB2      LEU  42  -0.367  -3.149  -9.413
  295   2HB   LEU  42           HB1      LEU  42   0.319  -3.260  -7.794
  296    HG   LEU  42           HG       LEU  42   1.941  -1.369  -8.798
  297   1HD1  LEU  42          2HD1      LEU  42   0.357  -1.642 -10.944
  298   2HD1  LEU  42          1HD1      LEU  42  -0.615  -0.482 -10.039
  299   3HD1  LEU  42          3HD1      LEU  42   1.046  -0.086 -10.479
  300   1HD2  LEU  42          3HD2      LEU  42  -0.709  -1.302  -7.430
  301   2HD2  LEU  42          2HD2      LEU  42   0.863  -0.757  -6.848
  302   3HD2  LEU  42          1HD2      LEU  42  -0.050   0.236  -7.983
  303    H    THR  43           HN       THR  43   2.861  -1.906 -10.589
  304    HA   THR  43           HA       THR  43   1.729  -2.202 -13.210
  305    HB   THR  43           HB       THR  43   4.225  -0.907 -12.085
  306    HG1  THR  43           HG1      THR  43   2.655   0.872 -13.014
  307   1HG2  THR  43          2HG2      THR  43   3.517  -1.438 -14.856
  308   2HG2  THR  43          1HG2      THR  43   3.634   0.293 -14.539
  309   3HG2  THR  43          3HG2      THR  43   5.005  -0.761 -14.194
  310    H    ILE  44           HN       ILE  44   4.843  -3.278 -11.827
  311    HA   ILE  44           HA       ILE  44   5.626  -4.678 -14.275
  312    HB   ILE  44           HB       ILE  44   6.706  -4.771 -11.437
  313   1HG1  ILE  44          2HG1      ILE  44   7.572  -3.051 -13.781
  314   2HG1  ILE  44          1HG1      ILE  44   6.573  -2.475 -12.447
  315   1HG2  ILE  44          1HG2      ILE  44   7.354  -6.523 -13.310
  316   2HG2  ILE  44          3HG2      ILE  44   8.329  -5.189 -13.925
  317   3HG2  ILE  44          2HG2      ILE  44   8.605  -5.805 -12.296
  318   1HD1  ILE  44          1HD1      ILE  44   8.724  -3.741 -11.193
  319   2HD1  ILE  44          3HD1      ILE  44   9.457  -2.879 -12.546
  320   3HD1  ILE  44          2HD1      ILE  44   8.492  -2.000 -11.359
  321    H    SER  45           HN       SER  45   3.776  -5.407 -11.430
  322    HA   SER  45           HA       SER  45   4.001  -8.346 -11.899
  323   1HB   SER  45           HB2      SER  45   4.314  -7.336  -9.628
  324   2HB   SER  45           HB1      SER  45   2.658  -6.741  -9.698
  325    HG   SER  45           HG       SER  45   2.283  -9.145 -10.242
  326    H    ARG  46           HN       ARG  46   2.072  -5.741 -12.810
  327    HA   ARG  46           HA       ARG  46  -0.070  -5.606 -13.791
  328   1HB   ARG  46           HB2      ARG  46   1.020  -7.374 -15.154
  329   2HB   ARG  46           HB1      ARG  46   0.430  -8.592 -14.022
  330   1HG   ARG  46           HG2      ARG  46  -1.623  -8.589 -14.956
  331   2HG   ARG  46           HG1      ARG  46  -1.711  -6.828 -14.910
  332   1HD   ARG  46           HD2      ARG  46  -1.654  -7.076 -17.205
  333   2HD   ARG  46           HD1      ARG  46   0.096  -7.161 -16.922
  334    HE   ARG  46           HE       ARG  46  -1.552  -9.652 -16.850
  335   1HH1  ARG  46          1HH1      ARG  46   0.413 -11.151 -16.887
  336   2HH1  ARG  46          2HH1      ARG  46   1.415 -10.944 -18.284
  337   1HH2  ARG  46          1HH2      ARG  46   0.008  -7.899 -19.168
  338   2HH2  ARG  46          2HH2      ARG  46   1.185  -9.102 -19.578
  339    H    ASN  47           HN       ASN  47  -0.571  -5.285 -11.276
  340    HA   ASN  47           HA       ASN  47  -2.506  -7.416 -10.425
  341   1HB   ASN  47           HB2      ASN  47  -0.447  -5.766  -9.089
  342   2HB   ASN  47           HB1      ASN  47  -1.970  -5.893  -8.207
  343   1HD2  ASN  47          1HD2      ASN  47  -1.752  -7.554  -6.695
  344   2HD2  ASN  47          2HD2      ASN  47  -1.040  -9.064  -7.004
  345    H    THR  48           HN       THR  48  -1.992  -4.007  -9.605
  346    HA   THR  48           HA       THR  48  -3.403  -2.127  -9.829
  347    HB   THR  48           HB       THR  48  -5.519  -3.727 -11.175
  348    HG1  THR  48           HG1      THR  48  -2.972  -3.206 -12.316
  349   1HG2  THR  48          3HG2      THR  48  -4.262  -1.043 -11.264
  350   2HG2  THR  48          2HG2      THR  48  -4.878  -1.673 -12.794
  351   3HG2  THR  48          1HG2      THR  48  -5.960  -1.496 -11.412
  352    H    ALA  49           HN       ALA  49  -4.603  -5.166  -8.539
  353    HA   ALA  49           HA       ALA  49  -6.198  -3.599  -6.594
  354   1HB   ALA  49           HB3      ALA  49  -7.493  -4.306  -8.745
  355   2HB   ALA  49           HB1      ALA  49  -8.243  -4.602  -7.177
  356   3HB   ALA  49           HB2      ALA  49  -7.454  -5.922  -8.040
  357    H    CYS  50           HN       CYS  50  -6.065  -4.509  -4.602
  358    HA   CYS  50           HA       CYS  50  -4.355  -6.702  -4.000
  359   1HB   CYS  50           HB2      CYS  50  -5.020  -4.900  -2.462
  360   2HB   CYS  50           HB1      CYS  50  -6.683  -5.477  -2.478
  361    HG   CYS  50           HG       CYS  50  -6.051  -7.046  -0.683
  362    H    GLN  51           HN       GLN  51  -4.762  -8.915  -3.763
  363    HA   GLN  51           HA       GLN  51  -7.349  -9.915  -4.822
  364   1HB   GLN  51           HB2      GLN  51  -6.085 -12.011  -5.014
  365   2HB   GLN  51           HB1      GLN  51  -5.136 -10.680  -5.678
  366   1HG   GLN  51           HG2      GLN  51  -3.480 -11.380  -4.304
  367   2HG   GLN  51           HG1      GLN  51  -4.429 -10.666  -3.000
  368   1HE2  GLN  51          1HE2      GLN  51  -4.409 -13.740  -4.908
  369   2HE2  GLN  51          2HE2      GLN  51  -4.723 -14.737  -3.571
  370    H    ILE  52           HN       ILE  52  -6.468  -8.978  -1.856
  371    HA   ILE  52           HA       ILE  52  -7.321 -11.381  -0.349
  372    HB   ILE  52           HB       ILE  52  -6.280  -8.620   0.328
  373   1HG1  ILE  52          2HG1      ILE  52  -5.238 -11.445   0.703
  374   2HG1  ILE  52          1HG1      ILE  52  -4.604 -10.226  -0.403
  375   1HG2  ILE  52          3HG2      ILE  52  -7.317 -10.779   2.185
  376   2HG2  ILE  52          2HG2      ILE  52  -6.288  -9.449   2.715
  377   3HG2  ILE  52          1HG2      ILE  52  -7.889  -9.115   2.056
  378   1HD1  ILE  52          3HD1      ILE  52  -4.767  -9.253   2.350
  379   2HD1  ILE  52          2HD1      ILE  52  -3.725 -10.668   2.196
  380   3HD1  ILE  52          1HD1      ILE  52  -3.404  -9.227   1.231
  381    H    CYS  53           HN       CYS  53  -8.417  -8.059  -1.006
  382    HA   CYS  53           HA       CYS  53 -11.110  -8.830   0.073
  383   1HB   CYS  53           HB2      CYS  53 -11.241  -6.290   0.508
  384   2HB   CYS  53           HB1      CYS  53 -10.162  -7.222   1.544
  385    HG   CYS  53           HG       CYS  53  -9.074  -4.970   0.342
  386    H    GLY  54           HN       GLY  54  -9.303  -7.609  -2.619
  387   1HA   GLY  54           HA1      GLY  54 -11.800  -7.481  -4.190
  388   2HA   GLY  54           HA2      GLY  54 -10.167  -7.497  -4.850
  389    H    VAL  55           HN       VAL  55  -9.454  -5.287  -2.812
  390    HA   VAL  55           HA       VAL  55 -11.043  -3.025  -3.906
  391    HB   VAL  55           HB       VAL  55  -8.831  -3.167  -1.839
  392   1HG1  VAL  55          1HG1      VAL  55 -10.628  -0.983  -2.842
  393   2HG1  VAL  55          3HG1      VAL  55 -10.092  -0.964  -1.161
  394   3HG1  VAL  55          2HG1      VAL  55  -8.906  -0.921  -2.466
  395   1HG2  VAL  55          3HG2      VAL  55 -11.850  -3.138  -1.567
  396   2HG2  VAL  55          2HG2      VAL  55 -10.773  -4.468  -1.137
  397   3HG2  VAL  55          1HG2      VAL  55 -10.725  -2.962  -0.220
  398    H    VAL  56           HN       VAL  56 -10.255  -1.758  -5.545
  399    HA   VAL  56           HA       VAL  56  -7.773  -2.413  -6.883
  400    HB   VAL  56           HB       VAL  56  -9.506   0.050  -7.193
  401   1HG1  VAL  56          1HG1      VAL  56  -7.285  -1.128  -8.624
  402   2HG1  VAL  56          3HG1      VAL  56  -8.712  -1.066  -9.656
  403   3HG1  VAL  56          2HG1      VAL  56  -8.097   0.410  -8.913
  404   1HG2  VAL  56          1HG2      VAL  56  -9.967  -2.823  -7.978
  405   2HG2  VAL  56          3HG2      VAL  56 -11.094  -1.688  -7.234
  406   3HG2  VAL  56          2HG2      VAL  56 -10.656  -1.510  -8.934
  407    H    TYR  57           HN       TYR  57  -5.947  -0.975  -7.175
  408    HA   TYR  57           HA       TYR  57  -5.105   0.382  -4.738
  409   1HB   TYR  57           HB2      TYR  57  -3.882   0.316  -7.513
  410   2HB   TYR  57           HB1      TYR  57  -3.038   0.667  -6.005
  411    HD1  TYR  57           HD1      TYR  57  -4.594  -1.436  -4.349
  412    HD2  TYR  57           HD2      TYR  57  -2.551  -1.615  -8.117
  413    HE1  TYR  57           HE1      TYR  57  -4.199  -3.857  -4.017
  414    HE2  TYR  57           HE2      TYR  57  -2.161  -4.032  -7.793
  415    HH   TYR  57           HH       TYR  57  -2.374  -5.564  -4.927
  416    H    ASN  58           HN       ASN  58  -7.171   1.909  -5.065
  417    HA   ASN  58           HA       ASN  58  -7.483   3.902  -6.947
  418   1HB   ASN  58           HB2      ASN  58  -8.218   3.390  -4.282
  419   2HB   ASN  58           HB1      ASN  58  -7.528   5.012  -4.264
  420   1HD2  ASN  58          1HD2      ASN  58  -8.501   6.624  -5.790
  421   2HD2  ASN  58          2HD2      ASN  58 -10.105   6.420  -6.307
  422    H    THR  59           HN       THR  59  -5.842   5.070  -7.914
  423    HA   THR  59           HA       THR  59  -3.669   6.156  -6.154
  424    HB   THR  59           HB       THR  59  -2.485   6.274  -8.442
  425    HG1  THR  59           HG1      THR  59  -4.503   6.010  -9.594
  426   1HG2  THR  59          1HG2      THR  59  -3.110   3.972  -6.738
  427   2HG2  THR  59          3HG2      THR  59  -2.619   3.516  -8.370
  428   3HG2  THR  59          2HG2      THR  59  -1.556   4.511  -7.375
  429    H    ARG  60           HN       ARG  60  -2.843   8.332  -6.850
  430    HA   ARG  60           HA       ARG  60  -5.003  10.225  -7.190
  431   1HB   ARG  60           HB2      ARG  60  -3.188  11.844  -7.067
  432   2HB   ARG  60           HB1      ARG  60  -2.847  10.542  -5.927
  433   1HG   ARG  60           HG2      ARG  60  -0.818  10.482  -6.953
  434   2HG   ARG  60           HG1      ARG  60  -1.674   9.574  -8.200
  435   1HD   ARG  60           HD2      ARG  60  -1.954  11.514  -9.568
  436   2HD   ARG  60           HD1      ARG  60  -1.488  12.600  -8.243
  437    HE   ARG  60           HE       ARG  60   0.617  10.712  -8.687
  438   1HH1  ARG  60          1HH1      ARG  60   2.203  11.105 -10.302
  439   2HH1  ARG  60          2HH1      ARG  60   2.238  12.662 -11.058
  440   1HH2  ARG  60          1HH2      ARG  60  -0.704  13.740  -9.571
  441   2HH2  ARG  60          2HH2      ARG  60   0.591  14.156 -10.645

  No H/Q in entry =         441
  Start of MODEL   14
    1    H1   MET   1           HT3      MET   1 -13.561  -6.597   4.358
    2    H2   MET   1           HT2      MET   1 -13.844  -5.620   2.997
    3    H3   MET   1           HT1      MET   1 -15.149  -6.190   3.924
    4    HA   MET   1           HA       MET   1 -14.950  -8.362   3.136
    5   1HB   MET   1           HB2      MET   1 -15.415  -6.245   1.525
    6   2HB   MET   1           HB1      MET   1 -14.021  -6.933   0.692
    7   1HG   MET   1           HG2      MET   1 -15.149  -9.118   0.582
    8   2HG   MET   1           HG1      MET   1 -16.539  -8.450   1.437
    9   1HE   MET   1           HE2      MET   1 -17.769  -6.291   0.637
   10   2HE   MET   1           HE1      MET   1 -18.517  -6.497  -0.946
   11   3HE   MET   1           HE3      MET   1 -18.560  -7.813   0.234
   12    H    GLU   2           HN       GLU   2 -13.430  -9.955   3.339
   13    HA   GLU   2           HA       GLU   2 -10.821  -9.636   1.961
   14   1HB   GLU   2           HB2      GLU   2  -9.759 -10.488   4.137
   15   2HB   GLU   2           HB1      GLU   2 -10.328  -8.822   4.141
   16   1HG   GLU   2           HG2      GLU   2 -11.471  -9.376   6.008
   17   2HG   GLU   2           HG1      GLU   2 -12.568 -10.249   4.944
   18    H    ASP   3           HN       ASP   3 -12.815 -11.796   3.980
   19    HA   ASP   3           HA       ASP   3 -12.991 -14.165   3.941
   20   1HB   ASP   3           HB2      ASP   3 -13.119 -13.245   1.055
   21   2HB   ASP   3           HB1      ASP   3 -13.599 -14.858   1.581
   22    H    GLU   4           HN       GLU   4 -11.828 -15.088   0.990
   23    HA   GLU   4           HA       GLU   4  -9.078 -15.590   2.079
   24   1HB   GLU   4           HB2      GLU   4 -10.987 -17.317   0.476
   25   2HB   GLU   4           HB1      GLU   4  -9.299 -17.746   0.755
   26   1HG   GLU   4           HG2      GLU   4 -10.636 -16.966   3.225
   27   2HG   GLU   4           HG1      GLU   4 -11.443 -18.327   2.444
   28    H    ASP   5           HN       ASP   5 -10.973 -14.336  -0.504
   29    HA   ASP   5           HA       ASP   5  -9.488 -14.721  -2.826
   30   1HB   ASP   5           HB2      ASP   5 -10.343 -12.457  -3.435
   31   2HB   ASP   5           HB1      ASP   5 -11.579 -13.444  -2.655
   32    H    VAL   6           HN       VAL   6  -8.030 -12.908  -3.850
   33    HA   VAL   6           HA       VAL   6  -5.923 -12.177  -1.845
   34    HB   VAL   6           HB       VAL   6  -5.836 -12.925  -4.781
   35   1HG1  VAL   6          2HG1      VAL   6  -3.826 -11.608  -2.998
   36   2HG1  VAL   6          1HG1      VAL   6  -3.252 -12.813  -4.151
   37   3HG1  VAL   6          3HG1      VAL   6  -4.110 -11.381  -4.723
   38   1HG2  VAL   6          2HG2      VAL   6  -6.061 -14.730  -3.016
   39   2HG2  VAL   6          1HG2      VAL   6  -4.610 -14.855  -4.010
   40   3HG2  VAL   6          3HG2      VAL   6  -4.505 -14.202  -2.376
   41    HA   PRO   7           HA       PRO   7  -7.033  -8.023  -3.006
   42   1HB   PRO   7           HB2      PRO   7  -5.130  -6.764  -1.508
   43   2HB   PRO   7           HB1      PRO   7  -6.610  -7.449  -0.806
   44   1HG   PRO   7           HG2      PRO   7  -3.852  -8.563  -0.863
   45   2HG   PRO   7           HG1      PRO   7  -5.058  -8.603   0.433
   46   1HD   PRO   7           HD2      PRO   7  -4.538 -10.722  -1.204
   47   2HD   PRO   7           HD1      PRO   7  -6.115 -10.442  -0.431
   48    H    VAL   8           HN       VAL   8  -5.944  -6.210  -4.128
   49    HA   VAL   8           HA       VAL   8  -3.392  -7.020  -5.478
   50    HB   VAL   8           HB       VAL   8  -5.675  -5.456  -6.697
   51   1HG1  VAL   8          2HG1      VAL   8  -3.320  -5.401  -7.681
   52   2HG1  VAL   8          1HG1      VAL   8  -3.523  -7.121  -8.022
   53   3HG1  VAL   8          3HG1      VAL   8  -4.594  -5.939  -8.776
   54   1HG2  VAL   8          2HG2      VAL   8  -5.582  -8.245  -5.994
   55   2HG2  VAL   8          1HG2      VAL   8  -6.862  -7.367  -6.831
   56   3HG2  VAL   8          3HG2      VAL   8  -5.545  -8.093  -7.751
   57    H    CYS   9           HN       CYS   9  -1.845  -5.395  -5.662
   58    HA   CYS   9           HA       CYS   9  -2.001  -3.095  -3.965
   59   1HB   CYS   9           HB2      CYS   9   0.097  -4.154  -4.621
   60   2HB   CYS   9           HB1      CYS   9  -0.219  -3.804  -6.318
   61    H    TRP  10           HN       TRP  10  -3.071  -1.233  -4.334
   62    HA   TRP  10           HA       TRP  10  -4.494  -0.698  -6.787
   63   1HB   TRP  10           HB2      TRP  10  -5.049   1.404  -5.578
   64   2HB   TRP  10           HB1      TRP  10  -5.236  -0.018  -4.550
   65    HD1  TRP  10           HD1      TRP  10  -3.591  -0.319  -2.532
   66    HE1  TRP  10           HE1      TRP  10  -1.848   1.237  -1.439
   67    HE3  TRP  10           HE3      TRP  10  -3.295   3.327  -6.098
   68    HZ2  TRP  10           HZ2      TRP  10  -0.510   3.703  -1.999
   69    HZ3  TRP  10           HZ3      TRP  10  -1.784   5.267  -5.792
   70    HH2  TRP  10           HH2      TRP  10  -0.392   5.459  -3.749
   71    H    ILE  11           HN       ILE  11  -1.222  -0.101  -5.902
   72    HA   ILE  11           HA       ILE  11  -0.915   2.337  -7.510
   73    HB   ILE  11           HB       ILE  11   1.207   0.462  -6.425
   74   1HG1  ILE  11          2HG1      ILE  11  -0.456   2.599  -5.065
   75   2HG1  ILE  11          1HG1      ILE  11  -0.193   0.933  -4.546
   76   1HG2  ILE  11          3HG2      ILE  11   1.743   2.396  -8.043
   77   2HG2  ILE  11          2HG2      ILE  11   1.277   3.470  -6.724
   78   3HG2  ILE  11          1HG2      ILE  11   2.633   2.361  -6.521
   79   1HD1  ILE  11          3HD1      ILE  11   2.330   1.635  -4.465
   80   2HD1  ILE  11          2HD1      ILE  11   1.687   3.276  -4.403
   81   3HD1  ILE  11          1HD1      ILE  11   1.263   2.115  -3.145
   82    H    CYS  12           HN       CYS  12   0.423  -0.987  -7.802
   83    HA   CYS  12           HA       CYS  12   0.845  -0.474 -10.713
   84   1HB   CYS  12           HB2      CYS  12   2.396  -2.352 -10.534
   85   2HB   CYS  12           HB1      CYS  12   2.712  -1.221  -9.218
   86    H    ASN  13           HN       ASN  13  -1.557  -1.685  -8.820
   87    HA   ASN  13           HA       ASN  13  -3.359  -3.155  -9.239
   88   1HB   ASN  13           HB2      ASN  13  -2.335  -2.086 -11.762
   89   2HB   ASN  13           HB1      ASN  13  -3.137  -3.643 -11.977
   90   1HD2  ASN  13          1HD2      ASN  13  -4.954  -2.496 -13.065
   91   2HD2  ASN  13          2HD2      ASN  13  -6.096  -1.647 -12.140
   92    H    GLU  14           HN       GLU  14  -1.228  -4.512  -8.189
   93    HA   GLU  14           HA       GLU  14  -1.171  -7.030  -9.816
   94   1HB   GLU  14           HB2      GLU  14   0.955  -5.831 -10.024
   95   2HB   GLU  14           HB1      GLU  14   1.072  -5.693  -8.268
   96   1HG   GLU  14           HG2      GLU  14   2.342  -7.589  -8.523
   97   2HG   GLU  14           HG1      GLU  14   0.755  -8.359  -8.461
   98    H    GLU  15           HN       GLU  15  -1.796  -8.798  -8.638
   99    HA   GLU  15           HA       GLU  15  -2.849  -8.643  -6.013
  100   1HB   GLU  15           HB2      GLU  15  -2.089 -10.700  -7.995
  101   2HB   GLU  15           HB1      GLU  15  -2.189 -11.271  -6.329
  102   1HG   GLU  15           HG2      GLU  15  -4.422 -11.381  -6.582
  103   2HG   GLU  15           HG1      GLU  15  -4.435  -9.620  -6.675
  104    H    LEU  16           HN       LEU  16  -1.943  -8.864  -3.999
  105    HA   LEU  16           HA       LEU  16   0.982  -9.499  -3.894
  106   1HB   LEU  16           HB2      LEU  16   0.790  -8.059  -1.728
  107   2HB   LEU  16           HB1      LEU  16   0.777  -7.232  -3.280
  108    HG   LEU  16           HG       LEU  16  -1.796  -8.058  -1.928
  109   1HD1  LEU  16          2HD1      LEU  16   0.028  -5.744  -1.368
  110   2HD1  LEU  16          1HD1      LEU  16  -1.714  -5.475  -1.326
  111   3HD1  LEU  16          3HD1      LEU  16  -0.982  -6.667  -0.252
  112   1HD2  LEU  16          2HD2      LEU  16  -1.067  -6.735  -4.373
  113   2HD2  LEU  16          1HD2      LEU  16  -2.682  -7.099  -3.767
  114   3HD2  LEU  16          3HD2      LEU  16  -1.905  -5.578  -3.334
  115    H    GLY  17           HN       GLY  17  -2.204 -10.010  -2.524
  116   1HA   GLY  17           HA1      GLY  17  -1.403 -12.589  -1.457
  117   2HA   GLY  17           HA2      GLY  17  -3.010 -11.885  -1.355
  118    H    ASN  18           HN       ASN  18  -0.139 -10.214  -0.119
  119    HA   ASN  18           HA       ASN  18  -1.220  -9.559   2.379
  120   1HB   ASN  18           HB2      ASN  18  -1.527 -11.851   2.927
  121   2HB   ASN  18           HB1      ASN  18   0.023 -12.313   2.224
  122   1HD2  ASN  18          1HD2      ASN  18  -1.148 -10.022   4.767
  123   2HD2  ASN  18          2HD2      ASN  18   0.071 -10.413   5.882
  124    H    GLU  19           HN       GLU  19   0.316  -7.895   1.291
  125    HA   GLU  19           HA       GLU  19   3.196  -8.396   1.741
  126   1HB   GLU  19           HB2      GLU  19   1.436  -6.473   0.341
  127   2HB   GLU  19           HB1      GLU  19   2.890  -5.757   1.037
  128   1HG   GLU  19           HG2      GLU  19   3.306  -8.319  -0.385
  129   2HG   GLU  19           HG1      GLU  19   2.824  -6.961  -1.403
  130    H    ARG  20           HN       ARG  20   3.695  -8.315   3.958
  131    HA   ARG  20           HA       ARG  20   2.261  -6.780   5.892
  132   1HB   ARG  20           HB2      ARG  20   5.125  -7.791   5.807
  133   2HB   ARG  20           HB1      ARG  20   4.299  -7.246   7.268
  134   1HG   ARG  20           HG2      ARG  20   2.520  -9.060   6.102
  135   2HG   ARG  20           HG1      ARG  20   4.105  -9.805   5.897
  136   1HD   ARG  20           HD2      ARG  20   4.519  -9.861   8.220
  137   2HD   ARG  20           HD1      ARG  20   3.286  -8.629   8.558
  138    HE   ARG  20           HE       ARG  20   1.567 -10.288   8.174
  139   1HH1  ARG  20          1HH1      ARG  20   2.061 -12.221   9.816
  140   2HH1  ARG  20          2HH1      ARG  20   2.816 -13.547   8.996
  141   1HH2  ARG  20          1HH2      ARG  20   3.721 -11.662   6.227
  142   2HH2  ARG  20          2HH2      ARG  20   3.757 -13.230   6.962
  143    H    PHE  21           HN       PHE  21   2.003  -4.641   5.147
  144    HA   PHE  21           HA       PHE  21   4.373  -2.899   5.491
  145   1HB   PHE  21           HB2      PHE  21   4.387  -3.523   3.133
  146   2HB   PHE  21           HB1      PHE  21   2.677  -3.128   2.984
  147    HD1  PHE  21           HD1      PHE  21   3.422  -1.629   1.082
  148    HD2  PHE  21           HD2      PHE  21   4.573  -0.947   5.162
  149    HE1  PHE  21           HE1      PHE  21   4.006   0.708   0.524
  150    HE2  PHE  21           HE2      PHE  21   5.159   1.400   4.603
  151    HZ   PHE  21           HZ       PHE  21   4.873   2.230   2.280
  152    H    ARG  22           HN       ARG  22   3.326  -1.867   7.270
  153    HA   ARG  22           HA       ARG  22   0.531  -1.083   7.188
  154   1HB   ARG  22           HB2      ARG  22   2.076  -1.568   9.189
  155   2HB   ARG  22           HB1      ARG  22   2.727   0.052   8.933
  156   1HG   ARG  22           HG2      ARG  22   0.858   1.067   9.740
  157   2HG   ARG  22           HG1      ARG  22  -0.221  -0.091   8.961
  158   1HD   ARG  22           HD2      ARG  22  -0.489  -1.167  10.933
  159   2HD   ARG  22           HD1      ARG  22   1.260  -1.456  11.018
  160    HE   ARG  22           HE       ARG  22  -0.178   0.777  12.292
  161   1HH1  ARG  22          1HH1      ARG  22   2.479  -1.179  12.493
  162   2HH1  ARG  22          2HH1      ARG  22   3.606   0.057  12.939
  163   1HH2  ARG  22          1HH2      ARG  22   1.405   2.661  12.310
  164   2HH2  ARG  22          2HH2      ARG  22   2.998   2.232  12.836
  165    H    ALA  23           HN       ALA  23   0.264   0.223   5.288
  166    HA   ALA  23           HA       ALA  23   1.772   2.811   5.297
  167   1HB   ALA  23           HB2      ALA  23   2.201   2.203   3.168
  168   2HB   ALA  23           HB1      ALA  23   1.115   0.820   3.305
  169   3HB   ALA  23           HB3      ALA  23   0.481   2.395   2.827
  170    H    CYS  24           HN       CYS  24  -1.231   1.981   3.599
  171    HA   CYS  24           HA       CYS  24  -2.539   4.250   5.054
  172   1HB   CYS  24           HB2      CYS  24  -2.362   4.840   2.803
  173   2HB   CYS  24           HB1      CYS  24  -2.625   3.198   2.234
  174    H    GLY  25           HN       GLY  25  -4.916   4.031   5.250
  175   1HA   GLY  25           HA1      GLY  25  -6.400   2.656   6.644
  176   2HA   GLY  25           HA2      GLY  25  -5.671   1.220   5.920
  177    H    CYS  26           HN       CYS  26  -7.120   4.225   4.610
  178    HA   CYS  26           HA       CYS  26  -8.976   4.471   3.154
  179   1HB   CYS  26           HB2      CYS  26  -6.792   2.862   2.109
  180   2HB   CYS  26           HB1      CYS  26  -8.290   2.516   1.261
  181    H    THR  27           HN       THR  27  -9.991   2.179   1.471
  182    HA   THR  27           HA       THR  27 -11.419   0.677   3.642
  183    HB   THR  27           HB       THR  27 -12.658   2.577   2.508
  184    HG1  THR  27           HG1      THR  27 -14.504   1.209   2.083
  185   1HG2  THR  27          1HG2      THR  27 -11.547   1.788   0.231
  186   2HG2  THR  27          3HG2      THR  27 -12.992   0.782   0.141
  187   3HG2  THR  27          2HG2      THR  27 -13.144   2.535   0.249
  188    H    GLY  28           HN       GLY  28  -9.086  -0.170   1.912
  189   1HA   GLY  28           HA1      GLY  28 -10.423  -2.328   0.338
  190   2HA   GLY  28           HA2      GLY  28  -9.167  -2.737   1.506
  191    H    GLU  29           HN       GLU  29  -9.569  -0.299  -1.088
  192    HA   GLU  29           HA       GLU  29  -7.774  -1.182  -2.979
  193   1HB   GLU  29           HB2      GLU  29  -7.182   1.422  -3.071
  194   2HB   GLU  29           HB1      GLU  29  -8.785   0.841  -3.519
  195   1HG   GLU  29           HG2      GLU  29  -8.583   1.307  -0.645
  196   2HG   GLU  29           HG1      GLU  29  -8.196   2.756  -1.567
  197    H    LEU  30           HN       LEU  30  -6.800   0.985  -0.302
  198    HA   LEU  30           HA       LEU  30  -3.975   0.331  -0.772
  199   1HB   LEU  30           HB2      LEU  30  -5.562   2.193   0.982
  200   2HB   LEU  30           HB1      LEU  30  -3.804   2.045   1.141
  201    HG   LEU  30           HG       LEU  30  -4.154   2.245  -1.589
  202   1HD1  LEU  30          2HD1      LEU  30  -6.569   3.053  -0.517
  203   2HD1  LEU  30          1HD1      LEU  30  -5.710   4.571  -0.782
  204   3HD1  LEU  30          3HD1      LEU  30  -5.964   3.455  -2.125
  205   1HD2  LEU  30          2HD2      LEU  30  -3.521   4.277   0.543
  206   2HD2  LEU  30          1HD2      LEU  30  -2.409   3.441  -0.540
  207   3HD2  LEU  30          3HD2      LEU  30  -3.477   4.696  -1.168
  208    H    GLU  31           HN       GLU  31  -6.512  -0.873   1.225
  209    HA   GLU  31           HA       GLU  31  -5.226  -1.605   3.612
  210   1HB   GLU  31           HB2      GLU  31  -7.329  -2.738   1.819
  211   2HB   GLU  31           HB1      GLU  31  -6.680  -3.821   3.051
  212   1HG   GLU  31           HG2      GLU  31  -7.122  -2.005   4.753
  213   2HG   GLU  31           HG1      GLU  31  -7.971  -1.116   3.489
  214    H    ASN  32           HN       ASN  32  -4.728  -2.688   0.339
  215    HA   ASN  32           HA       ASN  32  -2.539  -4.515   1.264
  216   1HB   ASN  32           HB2      ASN  32  -4.195  -4.859  -1.239
  217   2HB   ASN  32           HB1      ASN  32  -3.231  -6.064  -0.398
  218   1HD2  ASN  32          1HD2      ASN  32  -6.375  -4.636  -0.628
  219   2HD2  ASN  32          2HD2      ASN  32  -7.088  -5.473   0.667
  220    H    VAL  33           HN       VAL  33  -0.602  -3.656   0.520
  221    HA   VAL  33           HA       VAL  33  -0.524  -2.585  -2.246
  222    HB   VAL  33           HB       VAL  33  -1.107  -0.716  -0.693
  223   1HG1  VAL  33          3HG1      VAL  33   0.246  -1.750   1.226
  224   2HG1  VAL  33          2HG1      VAL  33   1.675  -1.089   0.431
  225   3HG1  VAL  33          1HG1      VAL  33   0.407  -0.007   1.006
  226   1HG2  VAL  33          1HG2      VAL  33   0.229  -0.418  -2.794
  227   2HG2  VAL  33          3HG2      VAL  33   0.576   0.802  -1.568
  228   3HG2  VAL  33          2HG2      VAL  33   1.697  -0.537  -1.826
  229    H    HIS  34           HN       HIS  34   1.379  -3.156  -3.220
  230    HA   HIS  34           HA       HIS  34   3.346  -4.805  -1.925
  231   1HB   HIS  34           HB2      HIS  34   3.126  -3.211  -4.455
  232   2HB   HIS  34           HB1      HIS  34   4.621  -4.056  -4.082
  233    HD2  HIS  34           HD2      HIS  34   3.525  -6.958  -3.129
  234    HE1  HIS  34           HE1      HIS  34   1.167  -6.912  -6.644
  235    HE2  HIS  34           HE2      HIS  34   2.136  -8.351  -4.816
  236    H    ARG  35           HN       ARG  35   4.811  -4.019  -0.399
  237    HA   ARG  35           HA       ARG  35   5.349  -1.257   0.069
  238   1HB   ARG  35           HB2      ARG  35   5.784  -2.969   1.726
  239   2HB   ARG  35           HB1      ARG  35   6.892  -3.806   0.636
  240   1HG   ARG  35           HG2      ARG  35   8.597  -2.325   1.006
  241   2HG   ARG  35           HG1      ARG  35   7.502  -0.953   1.184
  242   1HD   ARG  35           HD2      ARG  35   7.661  -1.130   3.431
  243   2HD   ARG  35           HD1      ARG  35   7.012  -2.780   3.343
  244    HE   ARG  35           HE       ARG  35   9.539  -3.260   2.579
  245   1HH1  ARG  35          1HH1      ARG  35   9.703  -4.197   5.077
  246   2HH1  ARG  35          2HH1      ARG  35  10.489  -3.011   6.065
  247   1HH2  ARG  35          1HH2      ARG  35   9.958  -0.414   3.831
  248   2HH2  ARG  35          2HH2      ARG  35  10.631  -0.868   5.360
  249    H    SER  36           HN       SER  36   6.426  -3.386  -2.394
  250    HA   SER  36           HA       SER  36   9.006  -2.217  -2.962
  251   1HB   SER  36           HB2      SER  36   7.034  -4.042  -4.283
  252   2HB   SER  36           HB1      SER  36   8.367  -3.406  -5.242
  253    HG   SER  36           HG       SER  36   8.356  -5.292  -3.268
  254    H    CYS  37           HN       CYS  37   5.963  -1.998  -4.893
  255    HA   CYS  37           HA       CYS  37   7.030   0.280  -6.368
  256   1HB   CYS  37           HB2      CYS  37   4.646   0.292  -7.303
  257   2HB   CYS  37           HB1      CYS  37   5.576  -1.176  -7.551
  258    HG   CYS  37           HG       CYS  37   3.767  -1.198  -5.059
  259    H    LEU  38           HN       LEU  38   4.946  -0.062  -3.531
  260    HA   LEU  38           HA       LEU  38   3.923   2.660  -3.652
  261   1HB   LEU  38           HB2      LEU  38   2.699   1.015  -2.419
  262   2HB   LEU  38           HB1      LEU  38   4.131   0.533  -1.510
  263    HG   LEU  38           HG       LEU  38   4.150   2.552  -0.254
  264   1HD1  LEU  38          1HD1      LEU  38   2.052   3.595  -2.181
  265   2HD1  LEU  38          3HD1      LEU  38   2.679   4.463  -0.779
  266   3HD1  LEU  38          2HD1      LEU  38   3.743   4.093  -2.136
  267   1HD2  LEU  38          3HD2      LEU  38   1.949   0.866  -0.221
  268   2HD2  LEU  38          2HD2      LEU  38   2.330   2.074   1.006
  269   3HD2  LEU  38          1HD2      LEU  38   1.220   2.470  -0.307
  270    H    SER  39           HN       SER  39   6.275   1.149  -1.397
  271    HA   SER  39           HA       SER  39   7.228   3.444  -0.128
  272   1HB   SER  39           HB2      SER  39   7.788   1.057   0.357
  273   2HB   SER  39           HB1      SER  39   8.820   1.037  -1.071
  274    HG   SER  39           HG       SER  39   9.446   1.815   1.358
  275    H    THR  40           HN       THR  40   8.299   2.075  -3.246
  276    HA   THR  40           HA       THR  40  10.322   4.138  -3.672
  277    HB   THR  40           HB       THR  40  10.424   3.020  -5.910
  278    HG1  THR  40           HG1      THR  40   9.005   1.334  -6.296
  279   1HG2  THR  40          1HG2      THR  40  11.370   2.095  -3.619
  280   2HG2  THR  40          3HG2      THR  40  10.180   0.822  -3.892
  281   3HG2  THR  40          2HG2      THR  40  11.449   1.113  -5.082
  282    H    TRP  41           HN       TRP  41   7.006   3.524  -4.832
  283    HA   TRP  41           HA       TRP  41   6.845   5.594  -6.772
  284   1HB   TRP  41           HB2      TRP  41   5.147   3.930  -6.647
  285   2HB   TRP  41           HB1      TRP  41   4.866   4.230  -4.933
  286    HD1  TRP  41           HD1      TRP  41   4.377   5.896  -8.367
  287    HE1  TRP  41           HE1      TRP  41   2.424   7.567  -8.195
  288    HE3  TRP  41           HE3      TRP  41   3.403   5.604  -3.361
  289    HZ2  TRP  41           HZ2      TRP  41   0.679   8.638  -6.202
  290    HZ3  TRP  41           HZ3      TRP  41   1.590   6.962  -2.354
  291    HH2  TRP  41           HH2      TRP  41   0.228   8.477  -3.767
  292    H    LEU  42           HN       LEU  42   5.691   5.703  -3.366
  293    HA   LEU  42           HA       LEU  42   5.058   8.450  -3.272
  294   1HB   LEU  42           HB2      LEU  42   5.527   8.141  -0.793
  295   2HB   LEU  42           HB1      LEU  42   4.448   6.938  -1.497
  296    HG   LEU  42           HG       LEU  42   6.774   5.666  -1.905
  297   1HD1  LEU  42          1HD1      LEU  42   7.281   7.699   0.228
  298   2HD1  LEU  42          3HD1      LEU  42   7.967   6.086   0.431
  299   3HD1  LEU  42          2HD1      LEU  42   8.383   7.049  -0.987
  300   1HD2  LEU  42          1HD2      LEU  42   4.663   5.613   0.057
  301   2HD2  LEU  42          3HD2      LEU  42   5.607   4.265  -0.575
  302   3HD2  LEU  42          2HD2      LEU  42   6.185   5.165   0.826
  303    H    THR  43           HN       THR  43   8.200   6.877  -3.187
  304    HA   THR  43           HA       THR  43   9.671   9.168  -2.170
  305    HB   THR  43           HB       THR  43  10.453   6.685  -3.733
  306    HG1  THR  43           HG1      THR  43  11.002   7.181  -1.035
  307   1HG2  THR  43          1HG2      THR  43  12.114   8.813  -2.374
  308   2HG2  THR  43          3HG2      THR  43  12.742   7.209  -2.751
  309   3HG2  THR  43          2HG2      THR  43  12.209   8.276  -4.050
  310    H    ILE  44           HN       ILE  44   9.000   7.861  -5.425
  311    HA   ILE  44           HA       ILE  44  10.543   9.916  -6.796
  312    HB   ILE  44           HB       ILE  44   8.373   8.011  -7.742
  313   1HG1  ILE  44          2HG1      ILE  44  11.265   7.507  -8.234
  314   2HG1  ILE  44          1HG1      ILE  44  10.701   7.273  -6.579
  315   1HG2  ILE  44          3HG2      ILE  44   8.891   9.896  -9.299
  316   2HG2  ILE  44          2HG2      ILE  44  10.585   9.403  -9.285
  317   3HG2  ILE  44          1HG2      ILE  44   9.359   8.327  -9.955
  318   1HD1  ILE  44          2HD1      ILE  44   8.869   6.137  -8.557
  319   2HD1  ILE  44          1HD1      ILE  44  10.479   5.422  -8.637
  320   3HD1  ILE  44          3HD1      ILE  44   9.574   5.390  -7.124
  321    H    SER  45           HN       SER  45   7.178   9.517  -5.794
  322    HA   SER  45           HA       SER  45   6.404  12.022  -7.211
  323   1HB   SER  45           HB2      SER  45   4.173  11.236  -6.867
  324   2HB   SER  45           HB1      SER  45   5.115   9.800  -7.258
  325    HG   SER  45           HG       SER  45   4.244   9.134  -5.443
  326    H    ARG  46           HN       ARG  46   7.611  11.088  -4.217
  327    HA   ARG  46           HA       ARG  46   7.728  12.186  -2.128
  328   1HB   ARG  46           HB2      ARG  46   8.438  13.990  -3.667
  329   2HB   ARG  46           HB1      ARG  46   6.752  14.461  -3.886
  330   1HG   ARG  46           HG2      ARG  46   6.640  15.488  -1.854
  331   2HG   ARG  46           HG1      ARG  46   7.639  14.264  -1.071
  332   1HD   ARG  46           HD2      ARG  46   9.406  15.518  -2.832
  333   2HD   ARG  46           HD1      ARG  46   8.437  16.849  -2.168
  334    HE   ARG  46           HE       ARG  46   9.591  14.793  -0.334
  335   1HH1  ARG  46          1HH1      ARG  46  11.762  16.526  -0.600
  336   2HH1  ARG  46          2HH1      ARG  46  11.414  17.893   0.405
  337   1HH2  ARG  46          1HH2      ARG  46   8.020  17.209   0.613
  338   2HH2  ARG  46          2HH2      ARG  46   9.294  18.280   1.092
  339    H    ASN  47           HN       ASN  47   5.811  10.798  -1.503
  340    HA   ASN  47           HA       ASN  47   3.342  12.461  -1.121
  341   1HB   ASN  47           HB2      ASN  47   3.862   9.608  -1.868
  342   2HB   ASN  47           HB1      ASN  47   2.418   9.961  -0.918
  343   1HD2  ASN  47          1HD2      ASN  47   0.768   9.848  -2.493
  344   2HD2  ASN  47          2HD2      ASN  47   0.752  10.771  -3.917
  345    H    THR  48           HN       THR  48   4.945   9.594   0.249
  346    HA   THR  48           HA       THR  48   5.569   9.079   2.461
  347    HB   THR  48           HB       THR  48   5.928  10.827   3.940
  348    HG1  THR  48           HG1      THR  48   4.314  11.995   4.502
  349   1HG2  THR  48          3HG2      THR  48   6.593  11.324   1.369
  350   2HG2  THR  48          2HG2      THR  48   5.577  12.729   1.691
  351   3HG2  THR  48          1HG2      THR  48   6.993  12.415   2.696
  352    H    ALA  49           HN       ALA  49   2.388  10.617   1.969
  353    HA   ALA  49           HA       ALA  49   1.231   8.485   3.693
  354   1HB   ALA  49           HB2      ALA  49   0.879  11.483   3.918
  355   2HB   ALA  49           HB1      ALA  49  -0.144  10.318   4.762
  356   3HB   ALA  49           HB3      ALA  49   1.581  10.401   5.121
  357    H    CYS  50           HN       CYS  50  -0.959   8.001   3.181
  358    HA   CYS  50           HA       CYS  50  -1.770   8.276   0.462
  359   1HB   CYS  50           HB2      CYS  50  -2.526   6.536   2.058
  360   2HB   CYS  50           HB1      CYS  50  -3.403   7.761   2.972
  361    HG   CYS  50           HG       CYS  50  -4.344   7.864   0.129
  362    H    GLN  51           HN       GLN  51  -3.225   9.729  -0.536
  363    HA   GLN  51           HA       GLN  51  -3.685  12.277   0.940
  364   1HB   GLN  51           HB2      GLN  51  -3.862  13.221  -1.266
  365   2HB   GLN  51           HB1      GLN  51  -2.518  12.078  -1.320
  366   1HG   GLN  51           HG2      GLN  51  -3.935  10.378  -2.325
  367   2HG   GLN  51           HG1      GLN  51  -5.356  11.408  -2.148
  368   1HE2  GLN  51          1HE2      GLN  51  -5.896  12.420  -4.081
  369   2HE2  GLN  51          2HE2      GLN  51  -4.789  12.922  -5.265
  370    H    ILE  52           HN       ILE  52  -5.373   9.463  -0.037
  371    HA   ILE  52           HA       ILE  52  -7.979  10.689  -0.496
  372    HB   ILE  52           HB       ILE  52  -6.900   7.903  -0.045
  373   1HG1  ILE  52          2HG1      ILE  52  -8.400   8.970  -2.433
  374   2HG1  ILE  52          1HG1      ILE  52  -6.680   9.305  -2.235
  375   1HG2  ILE  52          3HG2      ILE  52  -9.189   8.086   0.945
  376   2HG2  ILE  52          2HG2      ILE  52  -9.783   8.657  -0.615
  377   3HG2  ILE  52          1HG2      ILE  52  -9.136   7.023  -0.461
  378   1HD1  ILE  52          3HD1      ILE  52  -7.490   6.484  -1.821
  379   2HD1  ILE  52          2HD1      ILE  52  -7.629   7.083  -3.473
  380   3HD1  ILE  52          1HD1      ILE  52  -6.074   7.140  -2.643
  381    H    CYS  53           HN       CYS  53  -6.425   9.001   2.253
  382    HA   CYS  53           HA       CYS  53  -8.684   9.973   3.980
  383   1HB   CYS  53           HB2      CYS  53  -8.048   7.949   5.378
  384   2HB   CYS  53           HB1      CYS  53  -8.696   7.569   3.783
  385    HG   CYS  53           HG       CYS  53  -6.572   6.207   3.754
  386    H    GLY  54           HN       GLY  54  -5.270   9.988   3.425
  387   1HA   GLY  54           HA1      GLY  54  -4.921  11.786   5.732
  388   2HA   GLY  54           HA2      GLY  54  -3.740  11.500   4.458
  389    H    VAL  55           HN       VAL  55  -3.506   8.694   4.584
  390    HA   VAL  55           HA       VAL  55  -2.610   8.238   7.412
  391    HB   VAL  55           HB       VAL  55  -3.144   6.210   5.219
  392   1HG1  VAL  55          3HG1      VAL  55  -2.201   6.123   7.987
  393   2HG1  VAL  55          2HG1      VAL  55  -3.615   5.103   7.727
  394   3HG1  VAL  55          1HG1      VAL  55  -2.165   4.863   6.755
  395   1HG2  VAL  55          1HG2      VAL  55  -5.117   7.746   6.010
  396   2HG2  VAL  55          3HG2      VAL  55  -5.362   6.001   5.960
  397   3HG2  VAL  55          2HG2      VAL  55  -5.026   6.801   7.496
  398    H    VAL  56           HN       VAL  56  -0.412   8.177   7.708
  399    HA   VAL  56           HA       VAL  56   1.419   8.570   5.522
  400    HB   VAL  56           HB       VAL  56   1.974   7.631   8.347
  401   1HG1  VAL  56          1HG1      VAL  56   3.698   7.900   6.261
  402   2HG1  VAL  56          3HG1      VAL  56   3.724   9.541   6.906
  403   3HG1  VAL  56          2HG1      VAL  56   4.158   8.183   7.942
  404   1HG2  VAL  56          1HG2      VAL  56   0.486   9.810   7.804
  405   2HG2  VAL  56          3HG2      VAL  56   1.663   9.784   9.117
  406   3HG2  VAL  56          2HG2      VAL  56   2.087  10.511   7.568
  407    H    TYR  57           HN       TYR  57   2.945   7.116   4.638
  408    HA   TYR  57           HA       TYR  57   2.098   4.350   4.433
  409   1HB   TYR  57           HB2      TYR  57   4.606   5.785   3.522
  410   2HB   TYR  57           HB1      TYR  57   4.016   4.240   2.900
  411    HD1  TYR  57           HD1      TYR  57   4.390   7.181   1.583
  412    HD2  TYR  57           HD2      TYR  57   1.078   4.809   2.936
  413    HE1  TYR  57           HE1      TYR  57   2.891   8.376   0.013
  414    HE2  TYR  57           HE2      TYR  57  -0.419   5.998   1.372
  415    HH   TYR  57           HH       TYR  57   0.249   7.416  -1.095
  416    H    ASN  58           HN       ASN  58   4.893   5.990   5.908
  417    HA   ASN  58           HA       ASN  58   6.370   5.255   7.607
  418   1HB   ASN  58           HB2      ASN  58   4.363   3.043   8.072
  419   2HB   ASN  58           HB1      ASN  58   5.366   3.875   9.260
  420   1HD2  ASN  58          1HD2      ASN  58   2.493   3.696   9.514
  421   2HD2  ASN  58          2HD2      ASN  58   1.860   5.265   9.372
  422    H    THR  59           HN       THR  59   7.789   4.556   5.757
  423    HA   THR  59           HA       THR  59   7.868   1.574   5.445
  424    HB   THR  59           HB       THR  59   8.733   1.985   3.261
  425    HG1  THR  59           HG1      THR  59   9.458   4.040   2.660
  426   1HG2  THR  59          2HG2      THR  59   6.282   2.836   3.914
  427   2HG2  THR  59          1HG2      THR  59   6.966   4.382   3.409
  428   3HG2  THR  59          3HG2      THR  59   6.927   3.024   2.283
  429    H    ARG  60           HN       ARG  60   9.662   0.548   6.253
  430    HA   ARG  60           HA       ARG  60  12.005   2.252   7.046
  431   1HB   ARG  60           HB2      ARG  60  10.406   1.041   8.743
  432   2HB   ARG  60           HB1      ARG  60  11.295  -0.406   8.267
  433   1HG   ARG  60           HG2      ARG  60  13.417   1.063   8.719
  434   2HG   ARG  60           HG1      ARG  60  12.309   2.057   9.665
  435   1HD   ARG  60           HD2      ARG  60  11.678  -0.526  10.481
  436   2HD   ARG  60           HD1      ARG  60  13.445  -0.562  10.315
  437    HE   ARG  60           HE       ARG  60  12.851   1.878  11.568
  438   1HH1  ARG  60          1HH1      ARG  60  14.142   1.473  13.591
  439   2HH1  ARG  60          2HH1      ARG  60  13.433   0.327  14.679
  440   1HH2  ARG  60          1HH2      ARG  60  11.169  -0.884  12.348
  441   2HH2  ARG  60          2HH2      ARG  60  11.750  -1.008  13.975

  No H/Q in entry =         441
  Start of MODEL   15
    1    H1   MET   1           HT2      MET   1  16.587  -3.381  -4.990
    2    H2   MET   1           HT1      MET   1  16.684  -2.469  -3.561
    3    H3   MET   1           HT3      MET   1  15.263  -2.442  -4.486
    4    HA   MET   1           HA       MET   1  16.242  -1.182  -6.196
    5   1HB   MET   1           HB2      MET   1  15.958  -0.362  -3.598
    6   2HB   MET   1           HB1      MET   1  17.632   0.094  -3.919
    7   1HG   MET   1           HG2      MET   1  16.706   1.967  -4.824
    8   2HG   MET   1           HG1      MET   1  16.417   0.928  -6.219
    9   1HE   MET   1           HE1      MET   1  15.491   1.999  -2.937
   10   2HE   MET   1           HE3      MET   1  14.084   3.001  -3.318
   11   3HE   MET   1           HE2      MET   1  13.865   1.396  -2.623
   12    H    GLU   2           HN       GLU   2  18.586  -2.692  -4.059
   13    HA   GLU   2           HA       GLU   2  20.821  -1.832  -5.846
   14   1HB   GLU   2           HB2      GLU   2  20.424  -2.139  -3.039
   15   2HB   GLU   2           HB1      GLU   2  21.636  -3.320  -3.534
   16   1HG   GLU   2           HG2      GLU   2  23.152  -1.711  -4.164
   17   2HG   GLU   2           HG1      GLU   2  21.896  -0.572  -4.654
   18    H    ASP   3           HN       ASP   3  20.297  -4.759  -3.895
   19    HA   ASP   3           HA       ASP   3  21.148  -6.388  -6.258
   20   1HB   ASP   3           HB2      ASP   3  21.708  -6.333  -3.393
   21   2HB   ASP   3           HB1      ASP   3  21.233  -7.943  -3.939
   22    H    GLU   4           HN       GLU   4  19.481  -7.536  -3.376
   23    HA   GLU   4           HA       GLU   4  17.233  -8.470  -5.127
   24   1HB   GLU   4           HB2      GLU   4  18.188  -9.598  -2.483
   25   2HB   GLU   4           HB1      GLU   4  17.143 -10.381  -3.669
   26   1HG   GLU   4           HG2      GLU   4  19.544  -9.587  -5.000
   27   2HG   GLU   4           HG1      GLU   4  19.997 -10.444  -3.526
   28    H    ASP   5           HN       ASP   5  18.047  -6.378  -2.566
   29    HA   ASP   5           HA       ASP   5  15.761  -6.505  -0.874
   30   1HB   ASP   5           HB2      ASP   5  18.095  -5.091  -1.038
   31   2HB   ASP   5           HB1      ASP   5  16.920  -3.849  -1.471
   32    H    VAL   6           HN       VAL   6  13.748  -6.577  -1.903
   33    HA   VAL   6           HA       VAL   6  13.007  -4.166  -3.517
   34    HB   VAL   6           HB       VAL   6  12.306  -7.065  -4.085
   35   1HG1  VAL   6          3HG1      VAL   6  10.607  -5.314  -4.742
   36   2HG1  VAL   6          2HG1      VAL   6  11.840  -4.594  -5.777
   37   3HG1  VAL   6          1HG1      VAL   6  11.264  -6.230  -6.099
   38   1HG2  VAL   6          3HG2      VAL   6  14.724  -6.280  -4.492
   39   2HG2  VAL   6          2HG2      VAL   6  13.879  -6.986  -5.869
   40   3HG2  VAL   6          1HG2      VAL   6  14.050  -5.235  -5.743
   41    HA   PRO   7           HA       PRO   7   9.677  -4.190  -0.618
   42   1HB   PRO   7           HB2      PRO   7   8.061  -2.385  -1.872
   43   2HB   PRO   7           HB1      PRO   7   9.530  -1.914  -0.995
   44   1HG   PRO   7           HG2      PRO   7   9.087  -2.250  -3.911
   45   2HG   PRO   7           HG1      PRO   7  10.036  -1.030  -3.049
   46   1HD   PRO   7           HD2      PRO   7  11.138  -3.189  -4.307
   47   2HD   PRO   7           HD1      PRO   7  11.882  -2.382  -2.908
   48    H    VAL   8           HN       VAL   8   7.456  -4.898  -0.510
   49    HA   VAL   8           HA       VAL   8   6.315  -6.092  -2.999
   50    HB   VAL   8           HB       VAL   8   6.442  -7.537  -0.348
   51   1HG1  VAL   8          3HG1      VAL   8   4.931  -8.056  -2.512
   52   2HG1  VAL   8          2HG1      VAL   8   6.410  -8.880  -3.008
   53   3HG1  VAL   8          1HG1      VAL   8   5.605  -9.339  -1.507
   54   1HG2  VAL   8          2HG2      VAL   8   8.520  -7.203  -2.464
   55   2HG2  VAL   8          1HG2      VAL   8   8.716  -7.479  -0.733
   56   3HG2  VAL   8          3HG2      VAL   8   8.304  -8.822  -1.800
   57    H    CYS   9           HN       CYS   9   4.033  -6.165  -3.003
   58    HA   CYS   9           HA       CYS   9   2.674  -4.316  -1.226
   59   1HB   CYS   9           HB2      CYS   9   1.996  -4.524  -3.520
   60   2HB   CYS   9           HB1      CYS   9   1.789  -6.269  -3.364
   61    H    TRP  10           HN       TRP  10   1.984  -4.840   0.767
   62    HA   TRP  10           HA       TRP  10   2.048  -7.433   1.942
   63   1HB   TRP  10           HB2      TRP  10   0.827  -6.256   3.759
   64   2HB   TRP  10           HB1      TRP  10   2.164  -5.290   3.139
   65    HD1  TRP  10           HD1      TRP  10   1.557  -3.190   1.566
   66    HE1  TRP  10           HE1      TRP  10  -0.611  -1.812   1.336
   67    HE3  TRP  10           HE3      TRP  10  -1.756  -6.348   3.845
   68    HZ2  TRP  10           HZ2      TRP  10  -3.377  -2.018   2.024
   69    HZ3  TRP  10           HZ3      TRP  10  -4.148  -5.731   4.041
   70    HH2  TRP  10           HH2      TRP  10  -4.962  -3.572   3.134
   71    H    ILE  11           HN       ILE  11  -0.413  -5.916  -0.012
   72    HA   ILE  11           HA       ILE  11  -2.647  -7.476   1.021
   73    HB   ILE  11           HB       ILE  11  -2.341  -5.975  -1.598
   74   1HG1  ILE  11          2HG1      ILE  11  -3.154  -4.990   1.159
   75   2HG1  ILE  11          1HG1      ILE  11  -1.659  -4.577   0.321
   76   1HG2  ILE  11          2HG2      ILE  11  -4.622  -7.073   0.004
   77   2HG2  ILE  11          1HG2      ILE  11  -4.867  -5.565  -0.877
   78   3HG2  ILE  11          3HG2      ILE  11  -4.403  -7.028  -1.746
   79   1HD1  ILE  11          1HD1      ILE  11  -3.062  -3.632  -1.549
   80   2HD1  ILE  11          3HD1      ILE  11  -4.480  -3.880  -0.529
   81   3HD1  ILE  11          2HD1      ILE  11  -3.213  -2.763  -0.020
   82    H    CYS  12           HN       CYS  12  -0.989  -7.554  -2.177
   83    HA   CYS  12           HA       CYS  12  -2.031 -10.331  -2.519
   84   1HB   CYS  12           HB2      CYS  12  -1.411  -9.893  -4.914
   85   2HB   CYS  12           HB1      CYS  12  -2.567  -8.729  -4.268
   86    H    ASN  13           HN       ASN  13   0.674  -8.938  -1.289
   87    HA   ASN  13           HA       ASN  13   2.882  -9.708  -0.957
   88   1HB   ASN  13           HB2      ASN  13   1.077 -11.990  -1.352
   89   2HB   ASN  13           HB1      ASN  13   2.762 -12.372  -1.706
   90   1HD2  ASN  13          1HD2      ASN  13   0.621 -12.498   0.792
   91   2HD2  ASN  13          2HD2      ASN  13   1.675 -12.257   2.101
   92    H    GLU  14           HN       GLU  14   2.958  -8.307  -3.179
   93    HA   GLU  14           HA       GLU  14   4.480 -10.008  -5.111
   94   1HB   GLU  14           HB2      GLU  14   2.298  -9.778  -6.073
   95   2HB   GLU  14           HB1      GLU  14   2.211  -8.073  -5.635
   96   1HG   GLU  14           HG2      GLU  14   2.720  -8.162  -7.983
   97   2HG   GLU  14           HG1      GLU  14   4.202  -7.685  -7.156
   98    H    GLU  15           HN       GLU  15   6.398  -9.032  -5.703
   99    HA   GLU  15           HA       GLU  15   7.296  -6.631  -4.419
  100   1HB   GLU  15           HB2      GLU  15   8.220  -8.609  -6.414
  101   2HB   GLU  15           HB1      GLU  15   8.997  -7.028  -6.517
  102   1HG   GLU  15           HG2      GLU  15   9.832  -7.158  -4.318
  103   2HG   GLU  15           HG1      GLU  15   8.693  -8.427  -3.866
  104    H    LEU  16           HN       LEU  16   7.253  -4.503  -5.105
  105    HA   LEU  16           HA       LEU  16   6.042  -4.001  -7.804
  106   1HB   LEU  16           HB2      LEU  16   5.560  -1.694  -6.587
  107   2HB   LEU  16           HB1      LEU  16   4.508  -3.074  -6.322
  108    HG   LEU  16           HG       LEU  16   6.857  -2.471  -4.514
  109   1HD1  LEU  16          3HD1      LEU  16   4.658  -0.810  -4.853
  110   2HD1  LEU  16          2HD1      LEU  16   4.186  -1.829  -3.491
  111   3HD1  LEU  16          1HD1      LEU  16   5.674  -0.882  -3.414
  112   1HD2  LEU  16          2HD2      LEU  16   5.017  -4.618  -4.720
  113   2HD2  LEU  16          1HD2      LEU  16   6.178  -4.319  -3.428
  114   3HD2  LEU  16          3HD2      LEU  16   4.539  -3.686  -3.298
  115    H    GLY  17           HN       GLY  17   8.680  -3.409  -5.646
  116   1HA   GLY  17           HA1      GLY  17  10.324  -2.406  -7.821
  117   2HA   GLY  17           HA2      GLY  17  10.853  -2.689  -6.168
  118    H    ASN  18           HN       ASN  18   8.123  -0.547  -6.967
  119    HA   ASN  18           HA       ASN  18   9.059   1.597  -5.366
  120   1HB   ASN  18           HB2      ASN  18  10.988   1.665  -6.848
  121   2HB   ASN  18           HB1      ASN  18   9.950   1.677  -8.269
  122   1HD2  ASN  18          1HD2      ASN  18  10.603   3.612  -5.296
  123   2HD2  ASN  18          2HD2      ASN  18  10.295   5.112  -6.028
  124    H    GLU  19           HN       GLU  19   6.509   0.395  -6.348
  125    HA   GLU  19           HA       GLU  19   5.175   2.106  -8.206
  126   1HB   GLU  19           HB2      GLU  19   4.594  -0.133  -6.720
  127   2HB   GLU  19           HB1      GLU  19   3.596   1.087  -5.929
  128   1HG   GLU  19           HG2      GLU  19   3.624   0.940  -8.927
  129   2HG   GLU  19           HG1      GLU  19   2.654  -0.219  -8.017
  130    H    ARG  20           HN       ARG  20   5.332   4.336  -7.887
  131    HA   ARG  20           HA       ARG  20   5.505   5.633  -5.351
  132   1HB   ARG  20           HB2      ARG  20   6.048   6.453  -7.729
  133   2HB   ARG  20           HB1      ARG  20   4.325   6.801  -7.879
  134   1HG   ARG  20           HG2      ARG  20   4.767   8.788  -6.901
  135   2HG   ARG  20           HG1      ARG  20   5.008   7.884  -5.405
  136   1HD   ARG  20           HD2      ARG  20   7.409   7.611  -5.949
  137   2HD   ARG  20           HD1      ARG  20   7.168   8.541  -7.442
  138    HE   ARG  20           HE       ARG  20   7.158  10.486  -6.111
  139   1HH1  ARG  20          1HH1      ARG  20   4.662   9.894  -4.645
  140   2HH1  ARG  20          2HH1      ARG  20   5.192   9.802  -2.999
  141   1HH2  ARG  20          1HH2      ARG  20   8.541   9.432  -3.823
  142   2HH2  ARG  20          2HH2      ARG  20   7.390   9.540  -2.533
  143    H    PHE  21           HN       PHE  21   3.853   4.953  -3.936
  144    HA   PHE  21           HA       PHE  21   1.187   6.147  -4.452
  145   1HB   PHE  21           HB2      PHE  21   0.950   3.916  -5.338
  146   2HB   PHE  21           HB1      PHE  21   1.780   3.215  -3.951
  147    HD1  PHE  21           HD1      PHE  21  -0.290   1.721  -3.795
  148    HD2  PHE  21           HD2      PHE  21  -0.425   5.968  -3.152
  149    HE1  PHE  21           HE1      PHE  21  -2.450   1.473  -2.614
  150    HE2  PHE  21           HE2      PHE  21  -2.592   5.716  -1.972
  151    HZ   PHE  21           HZ       PHE  21  -3.604   3.469  -1.703
  152    H    ARG  22           HN       ARG  22   1.501   7.555  -2.675
  153    HA   ARG  22           HA       ARG  22   2.551   6.646  -0.121
  154   1HB   ARG  22           HB2      ARG  22   2.385   9.005  -1.346
  155   2HB   ARG  22           HB1      ARG  22   0.869   9.103  -0.450
  156   1HG   ARG  22           HG2      ARG  22   2.328   9.995   1.118
  157   2HG   ARG  22           HG1      ARG  22   2.397   8.288   1.563
  158   1HD   ARG  22           HD2      ARG  22   4.297   9.207  -0.552
  159   2HD   ARG  22           HD1      ARG  22   4.638   9.693   1.121
  160    HE   ARG  22           HE       ARG  22   4.007   7.036   1.397
  161   1HH1  ARG  22          1HH1      ARG  22   6.628   7.137   2.073
  162   2HH1  ARG  22          2HH1      ARG  22   7.551   6.583   0.717
  163   1HH2  ARG  22          1HH2      ARG  22   4.971   7.035  -1.558
  164   2HH2  ARG  22          2HH2      ARG  22   6.612   6.525  -1.342
  165    H    ALA  23           HN       ALA  23   1.152   4.865   0.470
  166    HA   ALA  23           HA       ALA  23  -1.681   5.623   1.090
  167   1HB   ALA  23           HB1      ALA  23  -0.426   3.426  -0.231
  168   2HB   ALA  23           HB3      ALA  23  -1.161   2.812   1.249
  169   3HB   ALA  23           HB2      ALA  23  -2.147   3.672   0.066
  170    H    CYS  24           HN       CYS  24   1.344   4.979   2.540
  171    HA   CYS  24           HA       CYS  24   0.334   5.230   5.212
  172   1HB   CYS  24           HB2      CYS  24  -0.264   2.810   4.062
  173   2HB   CYS  24           HB1      CYS  24   1.236   2.447   4.908
  174    H    GLY  25           HN       GLY  25   2.148   3.521   6.538
  175   1HA   GLY  25           HA1      GLY  25   4.526   5.048   6.596
  176   2HA   GLY  25           HA2      GLY  25   4.832   3.653   5.558
  177    H    CYS  26           HN       CYS  26   3.018   1.894   7.019
  178    HA   CYS  26           HA       CYS  26   3.394   1.691   9.780
  179   1HB   CYS  26           HB2      CYS  26   3.346  -0.488   7.670
  180   2HB   CYS  26           HB1      CYS  26   2.984  -0.722   9.380
  181    H    THR  27           HN       THR  27   5.010  -1.029   8.437
  182    HA   THR  27           HA       THR  27   7.639   0.037   9.411
  183    HB   THR  27           HB       THR  27   7.001  -2.847   9.694
  184    HG1  THR  27           HG1      THR  27   5.900  -2.074  11.752
  185   1HG2  THR  27          1HG2      THR  27   8.897  -1.049  10.659
  186   2HG2  THR  27          3HG2      THR  27   7.838  -1.332  12.040
  187   3HG2  THR  27          2HG2      THR  27   8.630  -2.691  11.244
  188    H    GLY  28           HN       GLY  28   5.923  -1.643   6.907
  189   1HA   GLY  28           HA1      GLY  28   8.173  -3.100   5.828
  190   2HA   GLY  28           HA2      GLY  28   7.996  -1.540   5.030
  191    H    GLU  29           HN       GLU  29   6.194  -4.530   5.806
  192    HA   GLU  29           HA       GLU  29   5.240  -5.071   3.258
  193   1HB   GLU  29           HB2      GLU  29   3.706  -6.510   4.341
  194   2HB   GLU  29           HB1      GLU  29   5.008  -6.330   5.511
  195   1HG   GLU  29           HG2      GLU  29   2.535  -4.573   5.555
  196   2HG   GLU  29           HG1      GLU  29   2.640  -6.096   6.435
  197    H    LEU  30           HN       LEU  30   3.770  -2.848   5.628
  198    HA   LEU  30           HA       LEU  30   1.583  -2.163   3.783
  199   1HB   LEU  30           HB2      LEU  30   1.885  -2.254   6.481
  200   2HB   LEU  30           HB1      LEU  30   2.207  -0.544   6.198
  201    HG   LEU  30           HG       LEU  30  -0.199  -0.961   6.619
  202   1HD1  LEU  30          2HD1      LEU  30   0.904   0.648   4.752
  203   2HD1  LEU  30          1HD1      LEU  30  -0.158  -0.314   3.729
  204   3HD1  LEU  30          3HD1      LEU  30  -0.827   0.603   5.080
  205   1HD2  LEU  30          3HD2      LEU  30   0.297  -3.112   4.737
  206   2HD2  LEU  30          2HD2      LEU  30  -1.110  -2.840   5.765
  207   3HD2  LEU  30          1HD2      LEU  30  -1.024  -2.087   4.172
  208    H    GLU  31           HN       GLU  31   4.815  -1.215   4.288
  209    HA   GLU  31           HA       GLU  31   4.618   1.596   3.620
  210   1HB   GLU  31           HB2      GLU  31   6.540  -0.291   4.464
  211   2HB   GLU  31           HB1      GLU  31   7.123   0.315   2.913
  212   1HG   GLU  31           HG2      GLU  31   6.115   2.540   4.382
  213   2HG   GLU  31           HG1      GLU  31   7.177   1.627   5.455
  214    H    ASN  32           HN       ASN  32   5.228  -1.383   1.745
  215    HA   ASN  32           HA       ASN  32   5.083   0.250  -0.767
  216   1HB   ASN  32           HB2      ASN  32   6.148  -2.549  -0.313
  217   2HB   ASN  32           HB1      ASN  32   6.406  -1.529  -1.725
  218   1HD2  ASN  32          1HD2      ASN  32   8.010  -2.610   0.937
  219   2HD2  ASN  32          2HD2      ASN  32   9.045  -1.294   1.218
  220    H    VAL  33           HN       VAL  33   3.123   0.040  -1.801
  221    HA   VAL  33           HA       VAL  33   1.900  -2.650  -1.977
  222    HB   VAL  33           HB       VAL  33   0.925  -1.831   0.039
  223   1HG1  VAL  33          1HG1      VAL  33   0.577   0.763  -1.489
  224   2HG1  VAL  33          3HG1      VAL  33  -0.178   0.444   0.073
  225   3HG1  VAL  33          2HG1      VAL  33   1.580   0.492  -0.064
  226   1HG2  VAL  33          2HG2      VAL  33  -0.572  -2.635  -1.945
  227   2HG2  VAL  33          1HG2      VAL  33  -1.342  -1.905  -0.535
  228   3HG2  VAL  33          3HG2      VAL  33  -1.096  -0.953  -2.000
  229    H    HIS  34           HN       HIS  34   0.854  -2.915  -3.949
  230    HA   HIS  34           HA       HIS  34   1.117  -0.941  -6.025
  231   1HB   HIS  34           HB2      HIS  34  -0.788  -3.285  -5.807
  232   2HB   HIS  34           HB1      HIS  34  -0.286  -2.505  -7.295
  233    HD2  HIS  34           HD2      HIS  34   2.603  -2.853  -7.831
  234    HE1  HIS  34           HE1      HIS  34   2.838  -6.335  -5.440
  235    HE2  HIS  34           HE2      HIS  34   4.007  -4.933  -7.177
  236    H    ARG  35           HN       ARG  35  -0.192   0.793  -6.495
  237    HA   ARG  35           HA       ARG  35  -2.414   1.556  -4.836
  238   1HB   ARG  35           HB2      ARG  35  -0.761   2.810  -6.523
  239   2HB   ARG  35           HB1      ARG  35  -2.090   2.530  -7.648
  240   1HG   ARG  35           HG2      ARG  35  -3.540   3.912  -6.497
  241   2HG   ARG  35           HG1      ARG  35  -2.753   3.620  -4.946
  242   1HD   ARG  35           HD2      ARG  35  -1.643   5.576  -5.213
  243   2HD   ARG  35           HD1      ARG  35  -0.812   4.860  -6.609
  244    HE   ARG  35           HE       ARG  35  -3.551   5.858  -7.099
  245   1HH1  ARG  35          1HH1      ARG  35  -3.604   7.096  -9.010
  246   2HH1  ARG  35          2HH1      ARG  35  -2.185   7.968  -9.483
  247   1HH2  ARG  35          1HH2      ARG  35  -0.212   6.657  -6.950
  248   2HH2  ARG  35          2HH2      ARG  35  -0.264   7.719  -8.317
  249    H    SER  36           HN       SER  36  -2.112  -0.619  -7.466
  250    HA   SER  36           HA       SER  36  -4.777  -0.413  -8.569
  251   1HB   SER  36           HB2      SER  36  -2.771  -2.687  -8.574
  252   2HB   SER  36           HB1      SER  36  -4.111  -2.486  -9.700
  253    HG   SER  36           HG       SER  36  -3.139  -0.580 -10.426
  254    H    CYS  37           HN       CYS  37  -3.309  -2.943  -6.445
  255    HA   CYS  37           HA       CYS  37  -5.953  -4.099  -5.936
  256   1HB   CYS  37           HB2      CYS  37  -4.607  -5.597  -4.447
  257   2HB   CYS  37           HB1      CYS  37  -3.979  -5.500  -6.085
  258    HG   CYS  37           HG       CYS  37  -1.859  -4.834  -5.003
  259    H    LEU  38           HN       LEU  38  -3.768  -1.913  -4.167
  260    HA   LEU  38           HA       LEU  38  -5.221  -2.155  -1.654
  261   1HB   LEU  38           HB2      LEU  38  -2.955  -1.464  -1.584
  262   2HB   LEU  38           HB1      LEU  38  -3.200  -0.243  -2.831
  263    HG   LEU  38           HG       LEU  38  -4.567   1.090  -1.321
  264   1HD1  LEU  38          2HD1      LEU  38  -4.824  -1.418   0.043
  265   2HD1  LEU  38          1HD1      LEU  38  -4.153  -0.237   1.169
  266   3HD1  LEU  38          3HD1      LEU  38  -5.684   0.090   0.357
  267   1HD2  LEU  38          2HD2      LEU  38  -1.822   0.521  -0.946
  268   2HD2  LEU  38          1HD2      LEU  38  -2.688   1.973  -0.446
  269   3HD2  LEU  38          3HD2      LEU  38  -2.525   0.617   0.669
  270    H    SER  39           HN       SER  39  -4.981   0.587  -3.957
  271    HA   SER  39           HA       SER  39  -6.986   2.221  -2.901
  272   1HB   SER  39           HB2      SER  39  -5.321   2.472  -4.891
  273   2HB   SER  39           HB1      SER  39  -6.615   1.773  -5.862
  274    HG   SER  39           HG       SER  39  -6.345   4.271  -5.125
  275    H    THR  40           HN       THR  40  -7.336  -0.675  -4.916
  276    HA   THR  40           HA       THR  40 -10.247  -0.279  -5.212
  277    HB   THR  40           HB       THR  40  -8.634  -1.266  -6.929
  278    HG1  THR  40           HG1      THR  40 -10.444  -2.006  -7.644
  279   1HG2  THR  40          1HG2      THR  40  -8.777  -3.594  -4.994
  280   2HG2  THR  40          3HG2      THR  40  -8.106  -3.675  -6.623
  281   3HG2  THR  40          2HG2      THR  40  -7.336  -2.664  -5.401
  282    H    TRP  41           HN       TRP  41  -8.001  -2.322  -3.366
  283    HA   TRP  41           HA       TRP  41  -9.903  -4.130  -2.250
  284   1HB   TRP  41           HB2      TRP  41  -7.656  -4.707  -1.978
  285   2HB   TRP  41           HB1      TRP  41  -7.178  -3.065  -1.561
  286    HD1  TRP  41           HD1      TRP  41  -9.042  -6.086  -0.062
  287    HE1  TRP  41           HE1      TRP  41  -8.838  -5.975   2.506
  288    HE3  TRP  41           HE3      TRP  41  -6.679  -1.590   0.442
  289    HZ2  TRP  41           HZ2      TRP  41  -7.806  -4.212   4.509
  290    HZ3  TRP  41           HZ3      TRP  41  -6.093  -0.720   2.689
  291    HH2  TRP  41           HH2      TRP  41  -6.657  -2.024   4.721
  292    H    LEU  42           HN       LEU  42  -8.488  -1.186  -0.729
  293    HA   LEU  42           HA       LEU  42 -10.131  -1.096   1.549
  294   1HB   LEU  42           HB2      LEU  42  -9.714   1.420   1.356
  295   2HB   LEU  42           HB1      LEU  42  -8.276   0.404   1.312
  296    HG   LEU  42           HG       LEU  42  -8.820   0.489  -1.330
  297   1HD1  LEU  42          2HD1      LEU  42 -10.793   2.057  -0.690
  298   2HD1  LEU  42          1HD1      LEU  42  -9.540   3.272  -0.443
  299   3HD1  LEU  42          3HD1      LEU  42  -9.746   2.530  -2.029
  300   1HD2  LEU  42          1HD2      LEU  42  -6.993   1.678   0.492
  301   2HD2  LEU  42          3HD2      LEU  42  -6.763   1.405  -1.235
  302   3HD2  LEU  42          2HD2      LEU  42  -7.451   2.926  -0.666
  303    H    THR  43           HN       THR  43 -10.828  -0.004  -1.759
  304    HA   THR  43           HA       THR  43 -13.289   1.349  -1.246
  305    HB   THR  43           HB       THR  43 -11.992  -0.082  -3.555
  306    HG1  THR  43           HG1      THR  43 -12.986   2.515  -3.619
  307   1HG2  THR  43          1HG2      THR  43 -14.837   0.906  -3.410
  308   2HG2  THR  43          3HG2      THR  43 -13.954   0.890  -4.937
  309   3HG2  THR  43          2HG2      THR  43 -14.234  -0.617  -4.064
  310    H    ILE  44           HN       ILE  44 -12.615  -2.076  -2.039
  311    HA   ILE  44           HA       ILE  44 -15.415  -2.869  -1.815
  312    HB   ILE  44           HB       ILE  44 -12.778  -4.370  -1.917
  313   1HG1  ILE  44          2HG1      ILE  44 -14.799  -4.390  -4.111
  314   2HG1  ILE  44          1HG1      ILE  44 -13.878  -2.902  -3.882
  315   1HG2  ILE  44          3HG2      ILE  44 -14.959  -5.485  -0.883
  316   2HG2  ILE  44          2HG2      ILE  44 -15.411  -5.630  -2.582
  317   3HG2  ILE  44          1HG2      ILE  44 -13.926  -6.382  -1.997
  318   1HD1  ILE  44          1HD1      ILE  44 -11.837  -4.605  -3.741
  319   2HD1  ILE  44          3HD1      ILE  44 -12.923  -5.618  -4.691
  320   3HD1  ILE  44          2HD1      ILE  44 -12.439  -4.034  -5.297
  321    H    SER  45           HN       SER  45 -12.528  -3.026   0.264
  322    HA   SER  45           HA       SER  45 -13.945  -4.428   2.418
  323   1HB   SER  45           HB2      SER  45 -11.748  -4.924   2.707
  324   2HB   SER  45           HB1      SER  45 -11.248  -3.590   1.673
  325    HG   SER  45           HG       SER  45 -10.577  -3.378   3.886
  326    H    ARG  46           HN       ARG  46 -14.099  -1.311   1.289
  327    HA   ARG  46           HA       ARG  46 -14.921   0.689   2.230
  328   1HB   ARG  46           HB2      ARG  46 -16.541  -1.028   3.121
  329   2HB   ARG  46           HB1      ARG  46 -15.544  -1.138   4.572
  330   1HG   ARG  46           HG2      ARG  46 -15.848   1.307   4.930
  331   2HG   ARG  46           HG1      ARG  46 -16.920   1.356   3.531
  332   1HD   ARG  46           HD2      ARG  46 -18.640   0.290   4.643
  333   2HD   ARG  46           HD1      ARG  46 -17.533  -0.664   5.650
  334    HE   ARG  46           HE       ARG  46 -17.213   1.272   7.074
  335   1HH1  ARG  46          1HH1      ARG  46 -17.260   3.741   6.476
  336   2HH1  ARG  46          2HH1      ARG  46 -18.876   4.313   6.231
  337   1HH2  ARG  46          1HH2      ARG  46 -20.230   1.140   5.883
  338   2HH2  ARG  46          2HH2      ARG  46 -20.557   2.841   5.896
  339    H    ASN  47           HN       ASN  47 -12.271   0.748   2.373
  340    HA   ASN  47           HA       ASN  47 -11.657   1.517   5.209
  341   1HB   ASN  47           HB2      ASN  47 -10.187  -0.128   3.172
  342   2HB   ASN  47           HB1      ASN  47  -9.252   0.806   4.341
  343   1HD2  ASN  47          1HD2      ASN  47  -8.604  -1.421   5.188
  344   2HD2  ASN  47          2HD2      ASN  47  -9.651  -2.202   6.272
  345    H    THR  48           HN       THR  48 -10.086   3.298   5.374
  346    HA   THR  48           HA       THR  48  -9.718   4.867   2.850
  347    HB   THR  48           HB       THR  48 -10.245   6.851   4.509
  348    HG1  THR  48           HG1      THR  48 -10.377   5.497   6.337
  349   1HG2  THR  48          1HG2      THR  48 -11.728   5.354   2.646
  350   2HG2  THR  48          3HG2      THR  48 -12.795   5.571   4.034
  351   3HG2  THR  48          2HG2      THR  48 -12.092   6.977   3.234
  352    H    ALA  49           HN       ALA  49  -8.779   4.440   6.268
  353    HA   ALA  49           HA       ALA  49  -6.002   5.250   5.508
  354   1HB   ALA  49           HB3      ALA  49  -5.926   6.647   7.534
  355   2HB   ALA  49           HB2      ALA  49  -7.246   7.163   6.484
  356   3HB   ALA  49           HB1      ALA  49  -7.587   6.195   7.918
  357    H    CYS  50           HN       CYS  50  -4.492   3.880   6.369
  358    HA   CYS  50           HA       CYS  50  -5.110   1.423   7.592
  359   1HB   CYS  50           HB2      CYS  50  -2.984   1.811   6.563
  360   2HB   CYS  50           HB1      CYS  50  -2.671   3.210   7.589
  361    HG   CYS  50           HG       CYS  50  -1.475   0.860   8.397
  362    H    GLN  51           HN       GLN  51  -5.131   0.731   9.780
  363    HA   GLN  51           HA       GLN  51  -5.661   2.874  11.769
  364   1HB   GLN  51           HB2      GLN  51  -6.109  -0.104  11.556
  365   2HB   GLN  51           HB1      GLN  51  -6.314   0.734  13.096
  366   1HG   GLN  51           HG2      GLN  51  -7.927   2.280  12.033
  367   2HG   GLN  51           HG1      GLN  51  -7.741   1.414  10.507
  368   1HE2  GLN  51          1HE2      GLN  51 -10.086   1.695  12.558
  369   2HE2  GLN  51          2HE2      GLN  51 -10.596   0.091  12.780
  370    H    ILE  52           HN       ILE  52  -3.288   0.432  10.959
  371    HA   ILE  52           HA       ILE  52  -1.942  -0.021  13.366
  372    HB   ILE  52           HB       ILE  52  -0.742   0.540  10.630
  373   1HG1  ILE  52          2HG1      ILE  52  -2.449  -1.093  10.299
  374   2HG1  ILE  52          1HG1      ILE  52  -0.955  -2.015  10.463
  375   1HG2  ILE  52          1HG2      ILE  52   0.573   0.084  12.984
  376   2HG2  ILE  52          3HG2      ILE  52   0.359  -1.562  12.389
  377   3HG2  ILE  52          2HG2      ILE  52   1.198  -0.369  11.398
  378   1HD1  ILE  52          3HD1      ILE  52  -1.462  -2.362  12.874
  379   2HD1  ILE  52          2HD1      ILE  52  -2.992  -1.513  12.652
  380   3HD1  ILE  52          1HD1      ILE  52  -2.706  -3.044  11.826
  381    H    CYS  53           HN       CYS  53  -1.268   2.657  11.065
  382    HA   CYS  53           HA       CYS  53  -0.026   4.150  13.354
  383   1HB   CYS  53           HB2      CYS  53   1.275   5.266  11.482
  384   2HB   CYS  53           HB1      CYS  53   1.601   3.544  11.676
  385    HG   CYS  53           HG       CYS  53  -0.491   4.442   9.545
  386    H    GLY  54           HN       GLY  54  -2.497   4.166  10.923
  387   1HA   GLY  54           HA1      GLY  54  -3.415   6.790  11.919
  388   2HA   GLY  54           HA2      GLY  54  -4.355   5.676  10.931
  389    H    VAL  55           HN       VAL  55  -2.099   5.390   8.954
  390    HA   VAL  55           HA       VAL  55  -1.914   8.147   7.850
  391    HB   VAL  55           HB       VAL  55  -0.734   5.520   6.884
  392   1HG1  VAL  55          3HG1      VAL  55  -0.519   8.383   6.077
  393   2HG1  VAL  55          2HG1      VAL  55   0.963   7.428   6.051
  394   3HG1  VAL  55          1HG1      VAL  55  -0.426   6.928   5.085
  395   1HG2  VAL  55          1HG2      VAL  55  -0.147   6.415   9.278
  396   2HG2  VAL  55          3HG2      VAL  55   1.168   5.950   8.197
  397   3HG2  VAL  55          2HG2      VAL  55   0.755   7.653   8.404
  398    H    VAL  56           HN       VAL  56  -3.448   8.797   6.413
  399    HA   VAL  56           HA       VAL  56  -5.491   7.085   5.359
  400    HB   VAL  56           HB       VAL  56  -4.579   9.733   4.221
  401   1HG1  VAL  56          2HG1      VAL  56  -6.807   8.005   3.810
  402   2HG1  VAL  56          1HG1      VAL  56  -7.402   9.443   4.639
  403   3HG1  VAL  56          3HG1      VAL  56  -6.532   9.602   3.113
  404   1HG2  VAL  56          1HG2      VAL  56  -5.631   9.064   6.914
  405   2HG2  VAL  56          3HG2      VAL  56  -4.688  10.459   6.389
  406   3HG2  VAL  56          2HG2      VAL  56  -6.427  10.411   6.100
  407    H    TYR  57           HN       TYR  57  -5.843   6.494   3.113
  408    HA   TYR  57           HA       TYR  57  -3.417   5.576   1.762
  409   1HB   TYR  57           HB2      TYR  57  -6.321   5.534   0.886
  410   2HB   TYR  57           HB1      TYR  57  -5.030   4.476   0.314
  411    HD1  TYR  57           HD1      TYR  57  -3.702   4.235   3.123
  412    HD2  TYR  57           HD2      TYR  57  -7.725   3.715   1.716
  413    HE1  TYR  57           HE1      TYR  57  -4.150   2.672   4.988
  414    HE2  TYR  57           HE2      TYR  57  -8.179   2.153   3.586
  415    HH   TYR  57           HH       TYR  57  -5.707   0.828   5.509
  416    H    ASN  58           HN       ASN  58  -2.789   8.069   1.584
  417    HA   ASN  58           HA       ASN  58  -4.065   9.830  -0.231
  418   1HB   ASN  58           HB2      ASN  58  -2.200  10.335   1.349
  419   2HB   ASN  58           HB1      ASN  58  -1.104   9.428   0.306
  420   1HD2  ASN  58          1HD2      ASN  58  -3.740  11.594  -0.783
  421   2HD2  ASN  58          2HD2      ASN  58  -2.718  12.709  -1.554
  422    H    THR  59           HN       THR  59  -4.120   9.917  -2.468
  423    HA   THR  59           HA       THR  59  -2.473   7.900  -3.965
  424    HB   THR  59           HB       THR  59  -4.698   8.354  -5.504
  425    HG1  THR  59           HG1      THR  59  -5.836   9.526  -4.080
  426   1HG2  THR  59          3HG2      THR  59  -4.268   6.343  -3.282
  427   2HG2  THR  59          2HG2      THR  59  -5.543   6.208  -4.494
  428   3HG2  THR  59          1HG2      THR  59  -3.850   6.154  -4.985
  429    H    ARG  60           HN       ARG  60  -2.079   8.558  -6.264
  430    HA   ARG  60           HA       ARG  60  -1.282  10.128  -7.839
  431   1HB   ARG  60           HB2      ARG  60  -3.861  10.657  -7.289
  432   2HB   ARG  60           HB1      ARG  60  -3.151  12.166  -6.715
  433   1HG   ARG  60           HG2      ARG  60  -2.094  12.550  -8.868
  434   2HG   ARG  60           HG1      ARG  60  -2.630  10.975  -9.453
  435   1HD   ARG  60           HD2      ARG  60  -4.745  12.814  -8.419
  436   2HD   ARG  60           HD1      ARG  60  -4.022  13.207  -9.992
  437    HE   ARG  60           HE       ARG  60  -5.001  10.436  -9.452
  438   1HH1  ARG  60          1HH1      ARG  60  -3.849  11.321 -12.115
  439   2HH1  ARG  60          2HH1      ARG  60  -5.289  11.598 -13.036
  440   1HH2  ARG  60          1HH2      ARG  60  -7.369  11.671 -10.264
  441   2HH2  ARG  60          2HH2      ARG  60  -7.281  11.796 -11.989

  No H/Q in entry =         441
  Start of MODEL   16
    1    H1   MET   1           HT2      MET   1  16.006   4.166  17.702
    2    H2   MET   1           HT1      MET   1  15.121   5.609  17.558
    3    H3   MET   1           HT3      MET   1  15.382   4.926  19.088
    4    HA   MET   1           HA       MET   1  13.297   4.116  18.784
    5   1HB   MET   1           HB2      MET   1  12.279   4.098  16.611
    6   2HB   MET   1           HB1      MET   1  13.332   5.514  16.639
    7   1HG   MET   1           HG2      MET   1  15.107   3.726  15.727
    8   2HG   MET   1           HG1      MET   1  13.636   2.955  15.134
    9   1HE   MET   1           HE1      MET   1  16.109   5.350  15.191
   10   2HE   MET   1           HE3      MET   1  16.234   5.653  13.453
   11   3HE   MET   1           HE2      MET   1  15.535   6.872  14.516
   12    H    GLU   2           HN       GLU   2  12.380   1.987  17.440
   13    HA   GLU   2           HA       GLU   2  14.561  -0.064  17.639
   14   1HB   GLU   2           HB2      GLU   2  13.031  -0.203  19.508
   15   2HB   GLU   2           HB1      GLU   2  11.637  -0.107  18.432
   16   1HG   GLU   2           HG2      GLU   2  12.201  -2.445  19.244
   17   2HG   GLU   2           HG1      GLU   2  12.109  -2.267  17.492
   18    H    ASP   3           HN       ASP   3  11.367   0.588  16.193
   19    HA   ASP   3           HA       ASP   3  10.447  -0.102  14.126
   20   1HB   ASP   3           HB2      ASP   3  12.460   1.324  13.529
   21   2HB   ASP   3           HB1      ASP   3  13.377  -0.171  13.347
   22    H    GLU   4           HN       GLU   4  10.759  -1.922  12.355
   23    HA   GLU   4           HA       GLU   4  11.924  -4.393  13.568
   24   1HB   GLU   4           HB2      GLU   4   9.809  -5.556  13.124
   25   2HB   GLU   4           HB1      GLU   4   9.502  -4.146  14.139
   26   1HG   GLU   4           HG2      GLU   4   9.385  -3.306  11.410
   27   2HG   GLU   4           HG1      GLU   4   8.382  -4.747  11.581
   28    H    ASP   5           HN       ASP   5  11.025  -6.166  11.583
   29    HA   ASP   5           HA       ASP   5  12.884  -5.942   9.513
   30   1HB   ASP   5           HB2      ASP   5  10.882  -7.666  10.268
   31   2HB   ASP   5           HB1      ASP   5  10.260  -7.054   8.735
   32    H    VAL   6           HN       VAL   6  12.910  -4.933   7.492
   33    HA   VAL   6           HA       VAL   6  11.021  -2.695   7.128
   34    HB   VAL   6           HB       VAL   6  13.333  -3.577   5.384
   35   1HG1  VAL   6          1HG1      VAL   6  11.684  -1.720   4.703
   36   2HG1  VAL   6          3HG1      VAL   6  12.370  -0.786   6.032
   37   3HG1  VAL   6          2HG1      VAL   6  13.397  -1.300   4.693
   38   1HG2  VAL   6          1HG2      VAL   6  14.018  -3.460   7.787
   39   2HG2  VAL   6          3HG2      VAL   6  14.791  -2.223   6.798
   40   3HG2  VAL   6          2HG2      VAL   6  13.433  -1.797   7.839
   41    HA   PRO   7           HA       PRO   7   8.680  -5.502   4.490
   42   1HB   PRO   7           HB2      PRO   7   6.510  -3.851   4.268
   43   2HB   PRO   7           HB1      PRO   7   6.790  -4.894   5.677
   44   1HG   PRO   7           HG2      PRO   7   7.320  -1.985   5.341
   45   2HG   PRO   7           HG1      PRO   7   6.675  -2.857   6.740
   46   1HD   PRO   7           HD2      PRO   7   9.256  -2.026   6.574
   47   2HD   PRO   7           HD1      PRO   7   8.760  -3.470   7.485
   48    H    VAL   8           HN       VAL   8   7.864  -5.266   2.248
   49    HA   VAL   8           HA       VAL   8   9.098  -2.931   0.826
   50    HB   VAL   8           HB       VAL   8   8.695  -5.752  -0.202
   51   1HG1  VAL   8          3HG1      VAL   8   9.045  -3.770  -1.787
   52   2HG1  VAL   8          2HG1      VAL   8  10.664  -3.640  -1.098
   53   3HG1  VAL   8          1HG1      VAL   8  10.184  -5.107  -1.949
   54   1HG2  VAL   8          1HG2      VAL   8  10.187  -5.577   1.865
   55   2HG2  VAL   8          3HG2      VAL   8  10.955  -6.251   0.427
   56   3HG2  VAL   8          2HG2      VAL   8  11.265  -4.578   0.890
   57    H    CYS   9           HN       CYS   9   7.864  -1.968  -0.815
   58    HA   CYS   9           HA       CYS   9   5.005  -2.178  -0.687
   59   1HB   CYS   9           HB2      CYS   9   6.106  -0.135  -1.336
   60   2HB   CYS   9           HB1      CYS   9   6.949  -0.945  -2.656
   61    H    TRP  10           HN       TRP  10   3.705  -3.629  -1.721
   62    HA   TRP  10           HA       TRP  10   4.764  -5.780  -3.321
   63   1HB   TRP  10           HB2      TRP  10   2.358  -6.361  -3.496
   64   2HB   TRP  10           HB1      TRP  10   2.804  -5.940  -1.844
   65    HD1  TRP  10           HD1      TRP  10   1.933  -3.627  -0.865
   66    HE1  TRP  10           HE1      TRP  10   0.014  -2.067  -1.600
   67    HE3  TRP  10           HE3      TRP  10   1.051  -5.448  -5.560
   68    HZ2  TRP  10           HZ2      TRP  10  -1.671  -1.648  -3.873
   69    HZ3  TRP  10           HZ3      TRP  10  -0.716  -4.452  -6.984
   70    HH2  TRP  10           HH2      TRP  10  -2.077  -2.555  -6.148
   71    H    ILE  11           HN       ILE  11   3.572  -2.608  -4.143
   72    HA   ILE  11           HA       ILE  11   2.813  -3.245  -6.881
   73    HB   ILE  11           HB       ILE  11   3.479  -0.609  -5.529
   74   1HG1  ILE  11          2HG1      ILE  11   0.946  -2.264  -5.710
   75   2HG1  ILE  11          1HG1      ILE  11   1.764  -1.704  -4.252
   76   1HG2  ILE  11          1HG2      ILE  11   1.911  -1.322  -8.025
   77   2HG2  ILE  11          3HG2      ILE  11   1.893   0.272  -7.273
   78   3HG2  ILE  11          2HG2      ILE  11   3.394  -0.371  -7.939
   79   1HD1  ILE  11          2HD1      ILE  11   1.303   0.660  -5.005
   80   2HD1  ILE  11          1HD1      ILE  11   0.303  -0.012  -6.294
   81   3HD1  ILE  11          3HD1      ILE  11  -0.141  -0.273  -4.607
   82    H    CYS  12           HN       CYS  12   5.554  -1.295  -5.576
   83    HA   CYS  12           HA       CYS  12   6.976  -1.755  -8.161
   84   1HB   CYS  12           HB2      CYS  12   8.372   0.142  -7.339
   85   2HB   CYS  12           HB1      CYS  12   6.658   0.551  -7.399
   86    H    ASN  13           HN       ASN  13   6.859  -3.060  -5.070
   87    HA   ASN  13           HA       ASN  13   8.285  -4.597  -3.976
   88   1HB   ASN  13           HB2      ASN  13   8.768  -4.710  -6.776
   89   2HB   ASN  13           HB1      ASN  13  10.340  -4.790  -5.979
   90   1HD2  ASN  13          1HD2      ASN  13   7.039  -6.165  -5.409
   91   2HD2  ASN  13          2HD2      ASN  13   7.600  -7.724  -5.042
   92    H    GLU  14           HN       GLU  14   8.666  -2.038  -3.136
   93    HA   GLU  14           HA       GLU  14  11.652  -1.795  -2.960
   94   1HB   GLU  14           HB2      GLU  14  10.968  -0.013  -4.353
   95   2HB   GLU  14           HB1      GLU  14   9.476   0.239  -3.448
   96   1HG   GLU  14           HG2      GLU  14  11.122   2.016  -2.958
   97   2HG   GLU  14           HG1      GLU  14  10.778   1.054  -1.520
   98    H    GLU  15           HN       GLU  15  12.398  -1.617  -0.843
   99    HA   GLU  15           HA       GLU  15  10.657  -2.167   1.366
  100   1HB   GLU  15           HB2      GLU  15  13.445  -1.846   0.769
  101   2HB   GLU  15           HB1      GLU  15  13.073  -0.939   2.236
  102   1HG   GLU  15           HG2      GLU  15  12.941  -2.849   3.417
  103   2HG   GLU  15           HG1      GLU  15  11.703  -3.466   2.324
  104    H    LEU  16           HN       LEU  16   9.462  -0.795   2.624
  105    HA   LEU  16           HA       LEU  16   9.914   2.147   2.284
  106   1HB   LEU  16           HB2      LEU  16   7.439   2.096   3.219
  107   2HB   LEU  16           HB1      LEU  16   7.743   1.743   1.522
  108    HG   LEU  16           HG       LEU  16   7.676  -0.472   3.572
  109   1HD1  LEU  16          1HD1      LEU  16   5.422   1.090   2.395
  110   2HD1  LEU  16          3HD1      LEU  16   5.234  -0.661   2.479
  111   3HD1  LEU  16          2HD1      LEU  16   5.523   0.265   3.953
  112   1HD2  LEU  16          1HD2      LEU  16   8.273  -0.398   0.866
  113   2HD2  LEU  16          3HD2      LEU  16   7.771  -1.835   1.759
  114   3HD2  LEU  16          2HD2      LEU  16   6.576  -0.880   0.882
  115    H    GLY  17           HN       GLY  17   9.708  -0.516   4.496
  116   1HA   GLY  17           HA1      GLY  17  10.880   1.090   6.630
  117   2HA   GLY  17           HA2      GLY  17  10.566  -0.640   6.687
  118    H    ASN  18           HN       ASN  18   8.066   1.758   5.920
  119    HA   ASN  18           HA       ASN  18   6.022   0.813   7.514
  120   1HB   ASN  18           HB2      ASN  18   6.372   2.334   9.605
  121   2HB   ASN  18           HB1      ASN  18   7.281   0.829   9.516
  122   1HD2  ASN  18          1HD2      ASN  18   7.665   4.240   8.361
  123   2HD2  ASN  18          2HD2      ASN  18   9.310   4.341   8.765
  124    H    GLU  19           HN       GLU  19   6.387   2.577   5.210
  125    HA   GLU  19           HA       GLU  19   5.878   5.316   5.821
  126   1HB   GLU  19           HB2      GLU  19   5.355   5.478   3.518
  127   2HB   GLU  19           HB1      GLU  19   6.447   4.099   3.598
  128   1HG   GLU  19           HG2      GLU  19   4.781   3.129   2.355
  129   2HG   GLU  19           HG1      GLU  19   4.117   2.804   3.954
  130    H    ARG  20           HN       ARG  20   4.165   6.134   6.936
  131    HA   ARG  20           HA       ARG  20   1.897   4.611   7.747
  132   1HB   ARG  20           HB2      ARG  20   1.064   6.909   8.402
  133   2HB   ARG  20           HB1      ARG  20   2.695   6.538   8.961
  134   1HG   ARG  20           HG2      ARG  20   3.595   8.202   7.729
  135   2HG   ARG  20           HG1      ARG  20   2.701   7.711   6.289
  136   1HD   ARG  20           HD2      ARG  20   1.131   9.322   6.610
  137   2HD   ARG  20           HD1      ARG  20   0.968   8.918   8.331
  138    HE   ARG  20           HE       ARG  20   2.970  10.798   7.186
  139   1HH1  ARG  20          1HH1      ARG  20   4.290   9.359   9.376
  140   2HH1  ARG  20          2HH1      ARG  20   3.833  10.265  10.780
  141   1HH2  ARG  20          1HH2      ARG  20   1.201  11.885   9.207
  142   2HH2  ARG  20          2HH2      ARG  20   2.083  11.693  10.685
  143    H    PHE  21           HN       PHE  21   0.768   3.705   5.960
  144    HA   PHE  21           HA       PHE  21  -0.970   5.620   4.508
  145   1HB   PHE  21           HB2      PHE  21   0.886   5.430   3.005
  146   2HB   PHE  21           HB1      PHE  21   0.994   3.687   3.259
  147    HD1  PHE  21           HD1      PHE  21   0.848   3.348   0.793
  148    HD2  PHE  21           HD2      PHE  21  -2.324   5.196   3.024
  149    HE1  PHE  21           HE1      PHE  21  -0.708   2.957  -1.094
  150    HE2  PHE  21           HE2      PHE  21  -3.881   4.804   1.133
  151    HZ   PHE  21           HZ       PHE  21  -3.075   3.681  -0.925
  152    H    ARG  22           HN       ARG  22  -2.871   4.726   5.374
  153    HA   ARG  22           HA       ARG  22  -3.243   1.865   5.730
  154   1HB   ARG  22           HB2      ARG  22  -5.142   4.235   5.679
  155   2HB   ARG  22           HB1      ARG  22  -5.578   2.619   6.236
  156   1HG   ARG  22           HG2      ARG  22  -3.618   2.802   7.867
  157   2HG   ARG  22           HG1      ARG  22  -3.555   4.515   7.446
  158   1HD   ARG  22           HD2      ARG  22  -6.223   4.237   7.951
  159   2HD   ARG  22           HD1      ARG  22  -5.543   3.062   9.096
  160    HE   ARG  22           HE       ARG  22  -5.023   5.973   9.100
  161   1HH1  ARG  22          1HH1      ARG  22  -4.467   6.578  11.247
  162   2HH1  ARG  22          2HH1      ARG  22  -3.514   5.480  12.188
  163   1HH2  ARG  22          1HH2      ARG  22  -3.690   2.915   9.859
  164   2HH2  ARG  22          2HH2      ARG  22  -3.075   3.404  11.403
  165    H    ALA  23           HN       ALA  23  -2.891   0.902   3.647
  166    HA   ALA  23           HA       ALA  23  -4.728   1.739   1.442
  167   1HB   ALA  23           HB3      ALA  23  -2.150   0.184   1.669
  168   2HB   ALA  23           HB1      ALA  23  -2.462   1.663   0.761
  169   3HB   ALA  23           HB2      ALA  23  -3.119   0.127   0.196
  170    H    CYS  24           HN       CYS  24  -4.391  -0.650   3.874
  171    HA   CYS  24           HA       CYS  24  -6.772  -2.033   3.134
  172   1HB   CYS  24           HB2      CYS  24  -4.633  -2.564   1.445
  173   2HB   CYS  24           HB1      CYS  24  -4.614  -3.926   2.561
  174    H    GLY  25           HN       GLY  25  -6.036  -4.649   3.921
  175   1HA   GLY  25           HA1      GLY  25  -6.387  -4.903   6.563
  176   2HA   GLY  25           HA2      GLY  25  -4.692  -4.402   6.543
  177    H    CYS  26           HN       CYS  26  -4.508  -5.805   3.824
  178    HA   CYS  26           HA       CYS  26  -5.012  -8.585   4.057
  179   1HB   CYS  26           HB2      CYS  26  -2.821  -7.024   2.653
  180   2HB   CYS  26           HB1      CYS  26  -3.205  -8.712   2.319
  181    H    THR  27           HN       THR  27  -2.767 -10.036   3.890
  182    HA   THR  27           HA       THR  27  -1.197  -9.413   6.368
  183    HB   THR  27           HB       THR  27  -1.961 -12.192   5.482
  184    HG1  THR  27           HG1      THR  27  -3.455 -10.485   7.183
  185   1HG2  THR  27          3HG2      THR  27  -1.238 -10.887   8.117
  186   2HG2  THR  27          2HG2      THR  27  -1.807 -12.550   7.975
  187   3HG2  THR  27          1HG2      THR  27  -0.289 -12.071   7.217
  188    H    GLY  28           HN       GLY  28  -0.712  -9.195   3.308
  189   1HA   GLY  28           HA1      GLY  28   0.868 -10.802   1.975
  190   2HA   GLY  28           HA2      GLY  28   1.907 -10.612   3.387
  191    H    GLU  29           HN       GLU  29   2.388  -9.808   0.588
  192    HA   GLU  29           HA       GLU  29   3.835  -7.460   0.855
  193   1HB   GLU  29           HB2      GLU  29   3.817  -7.445  -1.540
  194   2HB   GLU  29           HB1      GLU  29   3.611  -9.134  -1.076
  195   1HG   GLU  29           HG2      GLU  29   1.157  -8.900  -1.326
  196   2HG   GLU  29           HG1      GLU  29   1.375  -7.223  -1.830
  197    H    LEU  30           HN       LEU  30   0.379  -7.761   0.094
  198    HA   LEU  30           HA       LEU  30  -0.175  -5.039  -0.519
  199   1HB   LEU  30           HB2      LEU  30  -1.497  -7.410  -0.484
  200   2HB   LEU  30           HB1      LEU  30  -2.196  -6.649   0.944
  201    HG   LEU  30           HG       LEU  30  -3.477  -6.151  -1.146
  202   1HD1  LEU  30          2HD1      LEU  30  -3.372  -4.588   0.824
  203   2HD1  LEU  30          1HD1      LEU  30  -2.085  -3.715  -0.008
  204   3HD1  LEU  30          3HD1      LEU  30  -3.701  -3.784  -0.711
  205   1HD2  LEU  30          1HD2      LEU  30  -0.843  -5.677  -2.151
  206   2HD2  LEU  30          3HD2      LEU  30  -2.371  -5.588  -3.028
  207   3HD2  LEU  30          2HD2      LEU  30  -1.730  -4.153  -2.228
  208    H    GLU  31           HN       GLU  31   0.827  -6.370   2.459
  209    HA   GLU  31           HA       GLU  31  -0.701  -4.687   4.263
  210   1HB   GLU  31           HB2      GLU  31   1.754  -6.429   4.389
  211   2HB   GLU  31           HB1      GLU  31   1.307  -5.433   5.774
  212   1HG   GLU  31           HG2      GLU  31  -1.099  -6.518   5.240
  213   2HG   GLU  31           HG1      GLU  31  -0.066  -7.812   4.633
  214    H    ASN  32           HN       ASN  32   2.578  -4.430   2.817
  215    HA   ASN  32           HA       ASN  32   2.677  -1.612   3.857
  216   1HB   ASN  32           HB2      ASN  32   5.016  -3.356   3.072
  217   2HB   ASN  32           HB1      ASN  32   5.019  -1.930   4.102
  218   1HD2  ASN  32          1HD2      ASN  32   5.019  -5.309   4.181
  219   2HD2  ASN  32          2HD2      ASN  32   4.496  -5.526   5.782
  220    H    VAL  33           HN       VAL  33   2.506  -0.130   2.228
  221    HA   VAL  33           HA       VAL  33   3.919  -0.626  -0.331
  222    HB   VAL  33           HB       VAL  33   1.775  -1.577  -0.789
  223   1HG1  VAL  33          1HG1      VAL  33   0.757  -0.414   1.299
  224   2HG1  VAL  33          3HG1      VAL  33   0.406   0.923   0.204
  225   3HG1  VAL  33          2HG1      VAL  33  -0.295  -0.668  -0.092
  226   1HG2  VAL  33          2HG2      VAL  33   2.734   0.645  -2.110
  227   2HG2  VAL  33          1HG2      VAL  33   1.429  -0.391  -2.694
  228   3HG2  VAL  33          3HG2      VAL  33   1.057   1.084  -1.798
  229    H    HIS  34           HN       HIS  34   4.592   1.326  -1.291
  230    HA   HIS  34           HA       HIS  34   4.553   3.735   0.308
  231   1HB   HIS  34           HB2      HIS  34   5.077   3.364  -2.653
  232   2HB   HIS  34           HB1      HIS  34   5.582   4.739  -1.686
  233    HD2  HIS  34           HD2      HIS  34   7.599   4.034   0.339
  234    HE1  HIS  34           HE1      HIS  34   8.796   0.557  -1.748
  235    HE2  HIS  34           HE2      HIS  34   9.386   2.172   0.092
  236    H    ARG  35           HN       ARG  35   2.955   5.265   0.427
  237    HA   ARG  35           HA       ARG  35   0.449   5.029  -0.937
  238   1HB   ARG  35           HB2      ARG  35   1.513   6.419   1.185
  239   2HB   ARG  35           HB1      ARG  35   1.291   7.699  -0.006
  240   1HG   ARG  35           HG2      ARG  35  -0.993   5.877   0.112
  241   2HG   ARG  35           HG1      ARG  35  -0.686   6.680   1.653
  242   1HD   ARG  35           HD2      ARG  35  -0.887   8.135  -1.008
  243   2HD   ARG  35           HD1      ARG  35  -2.203   8.022   0.178
  244    HE   ARG  35           HE       ARG  35   0.322   8.940   1.331
  245   1HH1  ARG  35          1HH1      ARG  35   0.607  11.277   0.466
  246   2HH1  ARG  35          2HH1      ARG  35  -0.799  12.257   0.720
  247   1HH2  ARG  35          1HH2      ARG  35  -2.889   9.561   1.343
  248   2HH2  ARG  35          2HH2      ARG  35  -2.778  11.285   1.218
  249    H    SER  36           HN       SER  36   3.490   6.261  -1.930
  250    HA   SER  36           HA       SER  36   2.580   8.271  -3.803
  251   1HB   SER  36           HB2      SER  36   5.107   6.732  -3.254
  252   2HB   SER  36           HB1      SER  36   5.005   7.801  -4.650
  253    HG   SER  36           HG       SER  36   5.636   8.537  -2.298
  254    H    CYS  37           HN       CYS  37   3.851   4.930  -4.325
  255    HA   CYS  37           HA       CYS  37   3.090   5.029  -7.153
  256   1HB   CYS  37           HB2      CYS  37   3.931   2.672  -7.085
  257   2HB   CYS  37           HB1      CYS  37   5.072   3.833  -6.421
  258    HG   CYS  37           HG       CYS  37   3.543   2.929  -4.100
  259    H    LEU  38           HN       LEU  38   1.705   3.566  -4.205
  260    HA   LEU  38           HA       LEU  38  -0.231   1.959  -5.663
  261   1HB   LEU  38           HB2      LEU  38   0.336   1.273  -3.476
  262   2HB   LEU  38           HB1      LEU  38   0.139   2.898  -2.818
  263    HG   LEU  38           HG       LEU  38  -2.255   2.785  -3.050
  264   1HD1  LEU  38          3HD1      LEU  38  -1.587   0.826  -5.056
  265   2HD1  LEU  38          2HD1      LEU  38  -2.737   0.130  -3.917
  266   3HD1  LEU  38          1HD1      LEU  38  -3.133   1.622  -4.767
  267   1HD2  LEU  38          3HD2      LEU  38  -0.756   0.833  -1.554
  268   2HD2  LEU  38          2HD2      LEU  38  -2.278   1.612  -1.125
  269   3HD2  LEU  38          1HD2      LEU  38  -2.285   0.120  -2.066
  270    H    SER  39           HN       SER  39  -0.719   4.882  -3.626
  271    HA   SER  39           HA       SER  39  -3.383   5.427  -4.282
  272   1HB   SER  39           HB2      SER  39  -1.941   6.564  -2.587
  273   2HB   SER  39           HB1      SER  39  -1.108   7.398  -3.896
  274    HG   SER  39           HG       SER  39  -2.685   8.777  -3.321
  275    H    THR  40           HN       THR  40  -0.470   6.093  -6.191
  276    HA   THR  40           HA       THR  40  -1.961   7.676  -8.179
  277    HB   THR  40           HB       THR  40   0.464   7.986  -7.412
  278    HG1  THR  40           HG1      THR  40   1.114   8.499  -9.535
  279   1HG2  THR  40          2HG2      THR  40   0.797   5.552  -9.187
  280   2HG2  THR  40          1HG2      THR  40   2.121   6.556  -8.594
  281   3HG2  THR  40          3HG2      THR  40   1.132   5.641  -7.458
  282    H    TRP  41           HN       TRP  41  -0.566   4.410  -7.911
  283    HA   TRP  41           HA       TRP  41  -0.990   3.589 -10.615
  284   1HB   TRP  41           HB2      TRP  41   0.372   2.173  -9.387
  285   2HB   TRP  41           HB1      TRP  41  -0.594   2.339  -7.924
  286    HD1  TRP  41           HD1      TRP  41  -0.586   0.522 -11.312
  287    HE1  TRP  41           HE1      TRP  41  -2.062  -1.584 -11.113
  288    HE3  TRP  41           HE3      TRP  41  -2.496   1.227  -6.637
  289    HZ2  TRP  41           HZ2      TRP  41  -3.818  -2.812  -9.211
  290    HZ3  TRP  41           HZ3      TRP  41  -4.059  -0.426  -5.646
  291    HH2  TRP  41           HH2      TRP  41  -4.727  -2.440  -6.928
  292    H    LEU  42           HN       LEU  42  -3.016   2.896  -7.725
  293    HA   LEU  42           HA       LEU  42  -5.206   1.736  -9.064
  294   1HB   LEU  42           HB2      LEU  42  -6.477   2.574  -7.039
  295   2HB   LEU  42           HB1      LEU  42  -4.986   1.716  -6.657
  296    HG   LEU  42           HG       LEU  42  -3.958   4.170  -6.804
  297   1HD1  LEU  42          1HD1      LEU  42  -6.569   4.791  -7.278
  298   2HD1  LEU  42          3HD1      LEU  42  -6.496   4.975  -5.525
  299   3HD1  LEU  42          2HD1      LEU  42  -5.409   5.905  -6.554
  300   1HD2  LEU  42          2HD2      LEU  42  -5.076   2.500  -4.693
  301   2HD2  LEU  42          1HD2      LEU  42  -3.583   3.437  -4.697
  302   3HD2  LEU  42          3HD2      LEU  42  -5.106   4.209  -4.258
  303    H    THR  43           HN       THR  43  -4.367   5.158  -8.657
  304    HA   THR  43           HA       THR  43  -6.831   6.327  -9.480
  305    HB   THR  43           HB       THR  43  -3.918   7.116  -9.722
  306    HG1  THR  43           HG1      THR  43  -6.060   7.608  -7.985
  307   1HG2  THR  43          1HG2      THR  43  -6.397   8.555 -10.633
  308   2HG2  THR  43          3HG2      THR  43  -4.996   9.465 -10.067
  309   3HG2  THR  43          2HG2      THR  43  -4.847   8.390 -11.457
  310    H    ILE  44           HN       ILE  44  -4.008   5.250 -11.384
  311    HA   ILE  44           HA       ILE  44  -5.258   5.922 -13.943
  312    HB   ILE  44           HB       ILE  44  -2.850   4.206 -13.252
  313   1HG1  ILE  44          2HG1      ILE  44  -2.937   7.153 -13.960
  314   2HG1  ILE  44          1HG1      ILE  44  -2.830   6.554 -12.304
  315   1HG2  ILE  44          1HG2      ILE  44  -4.009   4.306 -15.645
  316   2HG2  ILE  44          3HG2      ILE  44  -3.129   5.830 -15.750
  317   3HG2  ILE  44          2HG2      ILE  44  -2.252   4.323 -15.487
  318   1HD1  ILE  44          2HD1      ILE  44  -0.876   5.537 -14.339
  319   2HD1  ILE  44          1HD1      ILE  44  -0.631   7.142 -13.649
  320   3HD1  ILE  44          3HD1      ILE  44  -0.676   5.727 -12.597
  321    H    SER  45           HN       SER  45  -4.749   2.984 -11.989
  322    HA   SER  45           HA       SER  45  -5.932   1.234 -14.032
  323   1HB   SER  45           HB2      SER  45  -4.369   1.047 -11.643
  324   2HB   SER  45           HB1      SER  45  -5.811   0.061 -11.424
  325    HG   SER  45           HG       SER  45  -3.719  -0.666 -12.682
  326    H    ARG  46           HN       ARG  46  -7.273   3.517 -12.098
  327    HA   ARG  46           HA       ARG  46  -9.468   3.886 -11.314
  328   1HB   ARG  46           HB2      ARG  46  -9.876   3.109 -13.650
  329   2HB   ARG  46           HB1      ARG  46  -9.970   1.451 -13.055
  330   1HG   ARG  46           HG2      ARG  46 -12.025   1.769 -12.083
  331   2HG   ARG  46           HG1      ARG  46 -11.694   3.457 -11.691
  332   1HD   ARG  46           HD2      ARG  46 -13.026   3.970 -13.465
  333   2HD   ARG  46           HD1      ARG  46 -11.690   3.407 -14.488
  334    HE   ARG  46           HE       ARG  46 -12.749   1.217 -14.597
  335   1HH1  ARG  46          1HH1      ARG  46 -15.064   2.542 -15.581
  336   2HH1  ARG  46          2HH1      ARG  46 -16.314   2.172 -14.440
  337   1HH2  ARG  46          1HH2      ARG  46 -14.112   1.208 -11.940
  338   2HH2  ARG  46          2HH2      ARG  46 -15.775   1.416 -12.378
  339    H    ASN  47           HN       ASN  47  -7.761   2.327  -9.606
  340    HA   ASN  47           HA       ASN  47  -9.586   0.195  -8.573
  341   1HB   ASN  47           HB2      ASN  47  -6.649   0.858  -8.269
  342   2HB   ASN  47           HB1      ASN  47  -7.444  -0.341  -7.249
  343   1HD2  ASN  47          1HD2      ASN  47  -6.525  -2.257  -8.127
  344   2HD2  ASN  47          2HD2      ASN  47  -6.729  -2.731  -9.744
  345    H    THR  48           HN       THR  48 -10.460   0.392  -6.497
  346    HA   THR  48           HA       THR  48  -9.752   2.882  -4.977
  347    HB   THR  48           HB       THR  48 -12.143   3.090  -4.495
  348    HG1  THR  48           HG1      THR  48 -13.345   1.397  -4.662
  349   1HG2  THR  48          2HG2      THR  48 -11.111   2.923  -7.261
  350   2HG2  THR  48          1HG2      THR  48 -12.869   2.923  -7.114
  351   3HG2  THR  48          3HG2      THR  48 -11.928   4.254  -6.442
  352    H    ALA  49           HN       ALA  49 -10.490  -0.542  -4.883
  353    HA   ALA  49           HA       ALA  49  -9.638  -0.609  -2.047
  354   1HB   ALA  49           HB1      ALA  49 -12.156  -0.210  -2.282
  355   2HB   ALA  49           HB2      ALA  49 -11.679  -1.589  -1.290
  356   3HB   ALA  49           HB3      ALA  49 -12.249  -1.843  -2.941
  357    H    CYS  50           HN       CYS  50  -8.588  -2.499  -1.572
  358    HA   CYS  50           HA       CYS  50  -7.616  -4.245  -3.567
  359   1HB   CYS  50           HB2      CYS  50  -6.631  -3.970  -1.352
  360   2HB   CYS  50           HB1      CYS  50  -8.087  -4.617  -0.594
  361    HG   CYS  50           HG       CYS  50  -7.516  -6.959  -1.480
  362    H    GLN  51           HN       GLN  51  -8.235  -6.424  -4.133
  363    HA   GLN  51           HA       GLN  51 -11.143  -6.973  -3.800
  364   1HB   GLN  51           HB2      GLN  51  -8.997  -8.184  -5.575
  365   2HB   GLN  51           HB1      GLN  51 -10.726  -8.510  -5.693
  366   1HG   GLN  51           HG2      GLN  51 -11.017  -5.971  -5.972
  367   2HG   GLN  51           HG1      GLN  51  -9.276  -5.920  -6.247
  368   1HE2  GLN  51          1HE2      GLN  51  -9.858  -5.207  -8.511
  369   2HE2  GLN  51          2HE2      GLN  51 -10.292  -6.385  -9.655
  370    H    ILE  52           HN       ILE  52  -7.992  -8.167  -2.874
  371    HA   ILE  52           HA       ILE  52  -8.530 -10.870  -2.265
  372    HB   ILE  52           HB       ILE  52  -6.788  -8.752  -0.979
  373   1HG1  ILE  52          2HG1      ILE  52  -5.651 -11.049  -2.454
  374   2HG1  ILE  52          1HG1      ILE  52  -6.618  -9.948  -3.435
  375   1HG2  ILE  52          2HG2      ILE  52  -7.168 -11.653  -0.327
  376   2HG2  ILE  52          1HG2      ILE  52  -5.551 -10.958  -0.210
  377   3HG2  ILE  52          3HG2      ILE  52  -6.868 -10.294   0.757
  378   1HD1  ILE  52          1HD1      ILE  52  -4.573  -8.834  -1.536
  379   2HD1  ILE  52          3HD1      ILE  52  -4.058  -9.465  -3.100
  380   3HD1  ILE  52          2HD1      ILE  52  -5.208  -8.130  -3.023
  381    H    CYS  53           HN       CYS  53  -9.025  -7.973  -0.210
  382    HA   CYS  53           HA       CYS  53 -10.738  -9.679   1.573
  383   1HB   CYS  53           HB2      CYS  53 -10.045  -7.961   3.318
  384   2HB   CYS  53           HB1      CYS  53  -8.736  -8.976   2.711
  385    HG   CYS  53           HG       CYS  53  -7.620  -6.936   1.888
  386    H    GLY  54           HN       GLY  54 -10.573  -6.872  -0.444
  387   1HA   GLY  54           HA1      GLY  54 -13.428  -6.354   0.072
  388   2HA   GLY  54           HA2      GLY  54 -12.469  -5.652  -1.230
  389    H    VAL  55           HN       VAL  55 -10.322  -4.857   0.753
  390    HA   VAL  55           HA       VAL  55 -11.751  -2.821   2.385
  391    HB   VAL  55           HB       VAL  55  -8.949  -3.924   2.192
  392   1HG1  VAL  55          2HG1      VAL  55  -9.897  -1.406   3.559
  393   2HG1  VAL  55          1HG1      VAL  55  -8.497  -2.302   4.149
  394   3HG1  VAL  55          3HG1      VAL  55  -8.489  -1.624   2.520
  395   1HG2  VAL  55          2HG2      VAL  55 -10.658  -5.136   3.524
  396   2HG2  VAL  55          1HG2      VAL  55  -9.372  -4.492   4.546
  397   3HG2  VAL  55          3HG2      VAL  55 -10.934  -3.675   4.473
  398    H    VAL  56           HN       VAL  56 -11.382  -0.558   2.056
  399    HA   VAL  56           HA       VAL  56 -10.657   0.169  -0.705
  400    HB   VAL  56           HB       VAL  56 -11.396   2.052   1.529
  401   1HG1  VAL  56          3HG1      VAL  56 -10.767   2.784  -0.841
  402   2HG1  VAL  56          2HG1      VAL  56 -12.253   1.998  -1.372
  403   3HG1  VAL  56          1HG1      VAL  56 -12.327   3.354  -0.246
  404   1HG2  VAL  56          3HG2      VAL  56 -13.018  -0.129   0.324
  405   2HG2  VAL  56          2HG2      VAL  56 -13.191   0.668   1.888
  406   3HG2  VAL  56          1HG2      VAL  56 -13.803   1.447   0.429
  407    H    TYR  57           HN       TYR  57  -9.054   1.808  -1.193
  408    HA   TYR  57           HA       TYR  57  -6.618   1.568   0.397
  409   1HB   TYR  57           HB2      TYR  57  -7.296   3.371  -1.948
  410   2HB   TYR  57           HB1      TYR  57  -5.686   2.858  -1.443
  411    HD1  TYR  57           HD1      TYR  57  -6.446  -0.007  -0.716
  412    HD2  TYR  57           HD2      TYR  57  -7.291   2.405  -4.164
  413    HE1  TYR  57           HE1      TYR  57  -6.643  -2.051  -2.090
  414    HE2  TYR  57           HE2      TYR  57  -7.493   0.358  -5.544
  415    HH   TYR  57           HH       TYR  57  -7.917  -1.995  -5.297
  416    H    ASN  58           HN       ASN  58  -7.857   2.546   2.353
  417    HA   ASN  58           HA       ASN  58  -8.786   5.144   2.620
  418   1HB   ASN  58           HB2      ASN  58  -6.923   3.608   4.461
  419   2HB   ASN  58           HB1      ASN  58  -7.963   4.946   4.950
  420   1HD2  ASN  58          1HD2      ASN  58 -10.404   4.499   3.988
  421   2HD2  ASN  58          2HD2      ASN  58 -10.997   2.954   4.368
  422    H    THR  59           HN       THR  59  -7.894   7.103   2.161
  423    HA   THR  59           HA       THR  59  -4.921   7.413   2.380
  424    HB   THR  59           HB       THR  59  -5.203   8.884   0.304
  425    HG1  THR  59           HG1      THR  59  -7.625   8.758   0.752
  426   1HG2  THR  59          3HG2      THR  59  -5.530   5.916   0.416
  427   2HG2  THR  59          2HG2      THR  59  -5.692   6.710  -1.150
  428   3HG2  THR  59          1HG2      THR  59  -4.197   6.874  -0.229
  429    H    ARG  60           HN       ARG  60  -4.385   9.183   3.617
  430    HA   ARG  60           HA       ARG  60  -6.534  11.210   4.137
  431   1HB   ARG  60           HB2      ARG  60  -5.476  11.435   6.347
  432   2HB   ARG  60           HB1      ARG  60  -5.878   9.745   6.039
  433   1HG   ARG  60           HG2      ARG  60  -3.529   9.379   5.256
  434   2HG   ARG  60           HG1      ARG  60  -3.153  11.039   5.721
  435   1HD   ARG  60           HD2      ARG  60  -4.347   9.060   7.682
  436   2HD   ARG  60           HD1      ARG  60  -2.594   9.254   7.474
  437    HE   ARG  60           HE       ARG  60  -3.987  11.798   7.802
  438   1HH1  ARG  60          1HH1      ARG  60  -1.701  12.365   8.963
  439   2HH1  ARG  60          2HH1      ARG  60  -1.712  11.784  10.595
  440   1HH2  ARG  60          1HH2      ARG  60  -4.382   9.629  10.088
  441   2HH2  ARG  60          2HH2      ARG  60  -3.230  10.233  11.232

  No H/Q in entry =         441
  Start of MODEL   17
    1    H1   MET   1           HT3      MET   1  12.441  -7.921  13.887
    2    H2   MET   1           HT2      MET   1  11.099  -8.790  13.313
    3    H3   MET   1           HT1      MET   1  11.670  -9.048  14.892
    4    HA   MET   1           HA       MET   1  13.661 -10.078  14.105
    5   1HB   MET   1           HB2      MET   1  11.698 -11.477  14.303
    6   2HB   MET   1           HB1      MET   1  11.088 -10.926  12.742
    7   1HG   MET   1           HG2      MET   1  12.776 -12.082  11.546
    8   2HG   MET   1           HG1      MET   1  13.763 -12.302  12.990
    9   1HE   MET   1           HE3      MET   1  13.166 -13.692  14.975
   10   2HE   MET   1           HE2      MET   1  12.685 -15.353  14.640
   11   3HE   MET   1           HE1      MET   1  14.041 -14.644  13.767
   12    H    GLU   2           HN       GLU   2  11.958  -8.209  11.721
   13    HA   GLU   2           HA       GLU   2  12.525  -7.608   9.498
   14   1HB   GLU   2           HB2      GLU   2  15.046  -7.815  11.120
   15   2HB   GLU   2           HB1      GLU   2  15.161  -7.423   9.403
   16   1HG   GLU   2           HG2      GLU   2  13.180  -5.928  11.077
   17   2HG   GLU   2           HG1      GLU   2  14.886  -5.499  11.207
   18    H    ASP   3           HN       ASP   3  14.416  -8.358   7.730
   19    HA   ASP   3           HA       ASP   3  14.753 -11.301   7.772
   20   1HB   ASP   3           HB2      ASP   3  12.934  -9.738   5.939
   21   2HB   ASP   3           HB1      ASP   3  13.600 -11.295   5.446
   22    H    GLU   4           HN       GLU   4  14.634  -9.236   4.917
   23    HA   GLU   4           HA       GLU   4  17.556  -8.843   4.873
   24   1HB   GLU   4           HB2      GLU   4  16.079 -10.979   3.422
   25   2HB   GLU   4           HB1      GLU   4  17.313 -10.121   2.498
   26   1HG   GLU   4           HG2      GLU   4  18.714 -10.524   4.748
   27   2HG   GLU   4           HG1      GLU   4  17.619 -11.901   4.870
   28    H    ASP   5           HN       ASP   5  15.140  -9.155   2.257
   29    HA   ASP   5           HA       ASP   5  15.911  -6.549   1.164
   30   1HB   ASP   5           HB2      ASP   5  15.394  -8.408  -0.301
   31   2HB   ASP   5           HB1      ASP   5  13.826  -8.640   0.472
   32    H    VAL   6           HN       VAL   6  15.017  -4.657   1.880
   33    HA   VAL   6           HA       VAL   6  12.464  -4.730   3.406
   34    HB   VAL   6           HB       VAL   6  14.692  -2.733   2.966
   35   1HG1  VAL   6          3HG1      VAL   6  12.541  -1.519   3.017
   36   2HG1  VAL   6          2HG1      VAL   6  12.114  -2.342   4.517
   37   3HG1  VAL   6          1HG1      VAL   6  13.472  -1.218   4.484
   38   1HG2  VAL   6          2HG2      VAL   6  14.912  -4.677   4.597
   39   2HG2  VAL   6          1HG2      VAL   6  15.118  -3.075   5.305
   40   3HG2  VAL   6          3HG2      VAL   6  13.599  -3.945   5.518
   41    HA   PRO   7           HA       PRO   7  10.452  -3.310  -0.314
   42   1HB   PRO   7           HB2      PRO   7   7.950  -3.092   0.761
   43   2HB   PRO   7           HB1      PRO   7   8.672  -4.648   0.304
   44   1HG   PRO   7           HG2      PRO   7   8.406  -3.398   2.984
   45   2HG   PRO   7           HG1      PRO   7   8.256  -5.097   2.512
   46   1HD   PRO   7           HD2      PRO   7  10.476  -4.034   3.710
   47   2HD   PRO   7           HD1      PRO   7  10.505  -5.468   2.661
   48    H    VAL   8           HN       VAL   8   9.305  -1.334  -0.979
   49    HA   VAL   8           HA       VAL   8   9.515   0.925   0.978
   50    HB   VAL   8           HB       VAL   8  10.200   1.034  -1.967
   51   1HG1  VAL   8          3HG1      VAL   8   9.615   3.109  -0.478
   52   2HG1  VAL   8          2HG1      VAL   8  11.216   2.843   0.211
   53   3HG1  VAL   8          1HG1      VAL   8  11.041   3.172  -1.513
   54   1HG2  VAL   8          1HG2      VAL   8  11.690  -0.127   0.242
   55   2HG2  VAL   8          3HG2      VAL   8  12.089  -0.105  -1.476
   56   3HG2  VAL   8          2HG2      VAL   8  12.554   1.248  -0.444
   57    H    CYS   9           HN       CYS   9   7.792   2.372   0.919
   58    HA   CYS   9           HA       CYS   9   5.333   1.593  -0.320
   59   1HB   CYS   9           HB2      CYS   9   5.374   2.970   1.660
   60   2HB   CYS   9           HB1      CYS   9   6.370   4.186   0.863
   61    H    TRP  10           HN       TRP  10   4.985   1.629  -2.472
   62    HA   TRP  10           HA       TRP  10   6.586   2.968  -4.409
   63   1HB   TRP  10           HB2      TRP  10   4.780   2.219  -5.915
   64   2HB   TRP  10           HB1      TRP  10   5.180   0.961  -4.745
   65    HD1  TRP  10           HD1      TRP  10   3.453   0.521  -2.745
   66    HE1  TRP  10           HE1      TRP  10   0.943   1.081  -2.509
   67    HE3  TRP  10           HE3      TRP  10   2.933   3.910  -6.535
   68    HZ2  TRP  10           HZ2      TRP  10  -1.023   2.745  -3.762
   69    HZ3  TRP  10           HZ3      TRP  10   0.738   4.965  -6.990
   70    HH2  TRP  10           HH2      TRP  10  -1.239   4.387  -5.610
   71    H    ILE  11           HN       ILE  11   4.114   4.260  -2.374
   72    HA   ILE  11           HA       ILE  11   3.180   6.306  -4.247
   73    HB   ILE  11           HB       ILE  11   2.940   6.086  -1.228
   74   1HG1  ILE  11          2HG1      ILE  11   1.375   4.887  -3.522
   75   2HG1  ILE  11          1HG1      ILE  11   2.041   4.070  -2.109
   76   1HG2  ILE  11          3HG2      ILE  11   2.396   8.311  -2.296
   77   2HG2  ILE  11          2HG2      ILE  11   1.152   7.488  -3.237
   78   3HG2  ILE  11          1HG2      ILE  11   1.031   7.549  -1.479
   79   1HD1  ILE  11          1HD1      ILE  11   0.446   5.488  -0.705
   80   2HD1  ILE  11          3HD1      ILE  11  -0.334   5.939  -2.221
   81   3HD1  ILE  11          2HD1      ILE  11  -0.308   4.250  -1.712
   82    H    CYS  12           HN       CYS  12   5.060   6.511  -1.188
   83    HA   CYS  12           HA       CYS  12   6.121   9.145  -2.115
   84   1HB   CYS  12           HB2      CYS  12   6.707   9.373   0.297
   85   2HB   CYS  12           HB1      CYS  12   4.993   9.027   0.065
   86    H    ASN  13           HN       ASN  13   7.003   5.993  -2.356
   87    HA   ASN  13           HA       ASN  13   9.072   4.916  -2.718
   88   1HB   ASN  13           HB2      ASN  13   9.520   7.841  -3.191
   89   2HB   ASN  13           HB1      ASN  13  10.923   6.772  -3.187
   90   1HD2  ASN  13          1HD2      ASN  13   9.830   4.445  -4.364
   91   2HD2  ASN  13          2HD2      ASN  13   9.349   4.794  -5.953
   92    H    GLU  14           HN       GLU  14   8.462   4.901  -0.075
   93    HA   GLU  14           HA       GLU  14  11.076   5.549   1.242
   94   1HB   GLU  14           HB2      GLU  14   9.511   7.247   1.916
   95   2HB   GLU  14           HB1      GLU  14   8.240   6.052   2.181
   96   1HG   GLU  14           HG2      GLU  14   9.496   5.073   4.035
   97   2HG   GLU  14           HG1      GLU  14  10.839   6.178   3.739
   98    H    GLU  15           HN       GLU  15  11.908   3.791   2.304
   99    HA   GLU  15           HA       GLU  15  10.775   1.193   2.202
  100   1HB   GLU  15           HB2      GLU  15  12.976   2.620   3.585
  101   2HB   GLU  15           HB1      GLU  15  12.477   1.096   4.320
  102   1HG   GLU  15           HG2      GLU  15  12.628   0.090   1.965
  103   2HG   GLU  15           HG1      GLU  15  13.486   1.564   1.512
  104    H    LEU  16           HN       LEU  16   9.376   0.098   3.534
  105    HA   LEU  16           HA       LEU  16   8.459   1.526   6.004
  106   1HB   LEU  16           HB2      LEU  16   6.279   0.215   5.508
  107   2HB   LEU  16           HB1      LEU  16   6.652   1.588   4.475
  108    HG   LEU  16           HG       LEU  16   7.481  -1.214   3.722
  109   1HD1  LEU  16          3HD1      LEU  16   4.855   0.210   3.233
  110   2HD1  LEU  16          2HD1      LEU  16   5.398  -1.165   2.275
  111   3HD1  LEU  16          1HD1      LEU  16   5.096  -1.361   4.001
  112   1HD2  LEU  16          3HD2      LEU  16   7.697   1.426   2.557
  113   2HD2  LEU  16          2HD2      LEU  16   8.374  -0.098   1.980
  114   3HD2  LEU  16          1HD2      LEU  16   6.743   0.374   1.508
  115    H    GLY  17           HN       GLY  17   9.657  -1.385   4.582
  116   1HA   GLY  17           HA1      GLY  17  10.215  -2.520   7.193
  117   2HA   GLY  17           HA2      GLY  17  10.644  -3.231   5.644
  118    H    ASN  18           HN       ASN  18   7.305  -2.373   6.502
  119    HA   ASN  18           HA       ASN  18   6.126  -4.772   5.694
  120   1HB   ASN  18           HB2      ASN  18   5.921  -5.818   8.103
  121   2HB   ASN  18           HB1      ASN  18   7.375  -6.110   7.155
  122   1HD2  ASN  18          1HD2      ASN  18   6.788  -2.923   8.588
  123   2HD2  ASN  18          2HD2      ASN  18   8.001  -3.037   9.767
  124    H    GLU  19           HN       GLU  19   5.181  -2.190   5.754
  125    HA   GLU  19           HA       GLU  19   3.597  -1.470   8.027
  126   1HB   GLU  19           HB2      GLU  19   4.313  -0.154   5.916
  127   2HB   GLU  19           HB1      GLU  19   2.924  -0.909   5.133
  128   1HG   GLU  19           HG2      GLU  19   2.125   1.176   5.977
  129   2HG   GLU  19           HG1      GLU  19   1.529  -0.048   7.097
  130    H    ARG  20           HN       ARG  20   2.075  -2.904   8.853
  131    HA   ARG  20           HA       ARG  20   0.741  -4.931   7.318
  132   1HB   ARG  20           HB2      ARG  20  -0.697  -5.030   9.383
  133   2HB   ARG  20           HB1      ARG  20   1.032  -5.051   9.735
  134   1HG   ARG  20           HG2      ARG  20   0.053  -2.327   9.565
  135   2HG   ARG  20           HG1      ARG  20  -0.866  -3.249  10.756
  136   1HD   ARG  20           HD2      ARG  20   1.137  -3.862  11.949
  137   2HD   ARG  20           HD1      ARG  20   2.167  -3.210  10.661
  138    HE   ARG  20           HE       ARG  20   1.018  -0.962  11.200
  139   1HH1  ARG  20          1HH1      ARG  20  -0.802  -1.702  13.323
  140   2HH1  ARG  20          2HH1      ARG  20   0.122  -1.472  14.770
  141   1HH2  ARG  20          1HH2      ARG  20   3.178  -1.450  13.132
  142   2HH2  ARG  20          2HH2      ARG  20   2.375  -1.329  14.662
  143    H    PHE  21           HN       PHE  21  -0.257  -3.985   5.500
  144    HA   PHE  21           HA       PHE  21  -2.807  -2.575   6.055
  145   1HB   PHE  21           HB2      PHE  21  -1.182  -0.792   5.820
  146   2HB   PHE  21           HB1      PHE  21  -0.509  -1.535   4.371
  147    HD1  PHE  21           HD1      PHE  21  -0.939   0.774   3.356
  148    HD2  PHE  21           HD2      PHE  21  -4.091  -1.846   4.641
  149    HE1  PHE  21           HE1      PHE  21  -2.548   2.028   1.956
  150    HE2  PHE  21           HE2      PHE  21  -5.705  -0.588   3.240
  151    HZ   PHE  21           HZ       PHE  21  -4.935   1.350   1.897
  152    H    ARG  22           HN       ARG  22  -3.967  -4.346   5.149
  153    HA   ARG  22           HA       ARG  22  -3.173  -5.578   2.628
  154   1HB   ARG  22           HB2      ARG  22  -4.498  -6.531   4.636
  155   2HB   ARG  22           HB1      ARG  22  -5.887  -5.683   3.954
  156   1HG   ARG  22           HG2      ARG  22  -5.859  -6.971   1.979
  157   2HG   ARG  22           HG1      ARG  22  -4.200  -7.507   2.248
  158   1HD   ARG  22           HD2      ARG  22  -5.100  -8.672   4.371
  159   2HD   ARG  22           HD1      ARG  22  -6.710  -8.420   3.667
  160    HE   ARG  22           HE       ARG  22  -5.624  -9.527   1.556
  161   1HH1  ARG  22          1HH1      ARG  22  -3.167 -10.551   2.089
  162   2HH1  ARG  22          2HH1      ARG  22  -3.387 -12.016   2.987
  163   1HH2  ARG  22          1HH2      ARG  22  -6.646 -11.274   3.909
  164   2HH2  ARG  22          2HH2      ARG  22  -5.357 -12.426   4.015
  165    H    ALA  23           HN       ALA  23  -3.173  -4.029   0.957
  166    HA   ALA  23           HA       ALA  23  -5.846  -2.844   0.298
  167   1HB   ALA  23           HB1      ALA  23  -3.387  -1.571   1.080
  168   2HB   ALA  23           HB3      ALA  23  -3.764  -1.122  -0.583
  169   3HB   ALA  23           HB2      ALA  23  -4.936  -0.819   0.699
  170    H    CYS  24           HN       CYS  24  -3.418  -4.885  -0.684
  171    HA   CYS  24           HA       CYS  24  -4.373  -5.289  -3.309
  172   1HB   CYS  24           HB2      CYS  24  -3.770  -3.160  -4.009
  173   2HB   CYS  24           HB1      CYS  24  -2.393  -3.072  -2.919
  174    H    GLY  25           HN       GLY  25  -2.735  -6.542  -4.656
  175   1HA   GLY  25           HA1      GLY  25  -1.719  -8.775  -3.551
  176   2HA   GLY  25           HA2      GLY  25  -0.443  -7.628  -3.140
  177    H    CYS  26           HN       CYS  26  -0.232  -6.079  -5.388
  178    HA   CYS  26           HA       CYS  26  -0.336  -7.445  -7.894
  179   1HB   CYS  26           HB2      CYS  26   1.126  -5.090  -6.732
  180   2HB   CYS  26           HB1      CYS  26   1.521  -5.634  -8.363
  181    H    THR  27           HN       THR  27   2.902  -6.445  -7.478
  182    HA   THR  27           HA       THR  27   3.777  -9.289  -7.107
  183    HB   THR  27           HB       THR  27   4.596  -7.165  -9.098
  184    HG1  THR  27           HG1      THR  27   4.070  -9.844  -9.670
  185   1HG2  THR  27          1HG2      THR  27   6.100  -9.525  -8.061
  186   2HG2  THR  27          3HG2      THR  27   6.176  -9.198  -9.792
  187   3HG2  THR  27          2HG2      THR  27   6.707  -7.973  -8.639
  188    H    GLY  28           HN       GLY  28   4.175  -5.978  -6.198
  189   1HA   GLY  28           HA1      GLY  28   6.920  -6.112  -5.328
  190   2HA   GLY  28           HA2      GLY  28   5.830  -6.484  -3.992
  191    H    GLU  29           HN       GLU  29   6.123  -4.064  -6.623
  192    HA   GLU  29           HA       GLU  29   6.474  -1.755  -5.158
  193   1HB   GLU  29           HB2      GLU  29   6.445  -1.589  -7.505
  194   2HB   GLU  29           HB1      GLU  29   4.900  -2.428  -7.638
  195   1HG   GLU  29           HG2      GLU  29   3.769  -0.481  -6.587
  196   2HG   GLU  29           HG1      GLU  29   5.318   0.363  -6.520
  197    H    LEU  30           HN       LEU  30   3.207  -2.851  -6.156
  198    HA   LEU  30           HA       LEU  30   1.902  -1.103  -4.225
  199   1HB   LEU  30           HB2      LEU  30   1.253  -2.270  -6.589
  200   2HB   LEU  30           HB1      LEU  30   0.471  -3.389  -5.472
  201    HG   LEU  30           HG       LEU  30  -1.102  -1.620  -6.066
  202   1HD1  LEU  30          3HD1      LEU  30  -0.684  -2.479  -3.587
  203   2HD1  LEU  30          2HD1      LEU  30  -0.215  -0.800  -3.330
  204   3HD1  LEU  30          1HD1      LEU  30  -1.834  -1.184  -3.915
  205   1HD2  LEU  30          2HD2      LEU  30   1.283   0.065  -5.543
  206   2HD2  LEU  30          1HD2      LEU  30  -0.052   0.322  -6.667
  207   3HD2  LEU  30          3HD2      LEU  30  -0.251   0.714  -4.959
  208    H    GLU  31           HN       GLU  31   3.235  -4.284  -4.108
  209    HA   GLU  31           HA       GLU  31   1.574  -5.602  -2.234
  210   1HB   GLU  31           HB2      GLU  31   4.173  -5.834  -3.410
  211   2HB   GLU  31           HB1      GLU  31   4.328  -6.131  -1.680
  212   1HG   GLU  31           HG2      GLU  31   3.825  -8.227  -2.862
  213   2HG   GLU  31           HG1      GLU  31   2.482  -7.780  -1.810
  214    H    ASN  32           HN       ASN  32   4.435  -3.519  -1.582
  215    HA   ASN  32           HA       ASN  32   3.541  -3.317   1.266
  216   1HB   ASN  32           HB2      ASN  32   6.156  -2.392   0.068
  217   2HB   ASN  32           HB1      ASN  32   5.825  -2.873   1.728
  218   1HD2  ASN  32          1HD2      ASN  32   6.763  -4.027  -1.413
  219   2HD2  ASN  32          2HD2      ASN  32   6.865  -5.673  -1.007
  220    H    VAL  33           HN       VAL  33   2.468  -1.423   1.774
  221    HA   VAL  33           HA       VAL  33   3.412   1.101   0.529
  222    HB   VAL  33           HB       VAL  33   1.717   0.299  -0.999
  223   1HG1  VAL  33          2HG1      VAL  33   0.039  -0.047   1.499
  224   2HG1  VAL  33          1HG1      VAL  33  -0.599  -0.154  -0.143
  225   3HG1  VAL  33          3HG1      VAL  33   0.599  -1.322   0.416
  226   1HG2  VAL  33          2HG2      VAL  33   1.713   2.733   0.091
  227   2HG2  VAL  33          1HG2      VAL  33   0.481   2.245  -1.075
  228   3HG2  VAL  33          3HG2      VAL  33   0.128   2.205   0.654
  229    H    HIS  34           HN       HIS  34   3.300   2.782   1.962
  230    HA   HIS  34           HA       HIS  34   2.623   2.443   4.715
  231   1HB   HIS  34           HB2      HIS  34   3.006   4.736   2.819
  232   2HB   HIS  34           HB1      HIS  34   2.571   5.048   4.495
  233    HD2  HIS  34           HD2      HIS  34   4.582   2.840   5.946
  234    HE1  HIS  34           HE1      HIS  34   7.647   4.805   3.787
  235    HE2  HIS  34           HE2      HIS  34   7.127   3.277   5.721
  236    H    ARG  35           HN       ARG  35   0.567   2.288   5.589
  237    HA   ARG  35           HA       ARG  35  -1.839   2.686   4.069
  238   1HB   ARG  35           HB2      ARG  35  -1.718   1.202   5.983
  239   2HB   ARG  35           HB1      ARG  35  -1.215   2.529   7.033
  240   1HG   ARG  35           HG2      ARG  35  -3.335   3.387   7.194
  241   2HG   ARG  35           HG1      ARG  35  -3.765   2.906   5.551
  242   1HD   ARG  35           HD2      ARG  35  -4.955   1.241   6.557
  243   2HD   ARG  35           HD1      ARG  35  -3.376   0.472   6.817
  244    HE   ARG  35           HE       ARG  35  -4.825   2.129   8.823
  245   1HH1  ARG  35          1HH1      ARG  35  -2.866   2.772  10.254
  246   2HH1  ARG  35          2HH1      ARG  35  -1.971   1.398  10.813
  247   1HH2  ARG  35          1HH2      ARG  35  -3.370  -0.783   8.506
  248   2HH2  ARG  35          2HH2      ARG  35  -2.255  -0.616   9.821
  249    H    SER  36           HN       SER  36   0.263   4.866   5.688
  250    HA   SER  36           HA       SER  36  -1.662   6.915   6.382
  251   1HB   SER  36           HB2      SER  36   1.319   6.661   6.116
  252   2HB   SER  36           HB1      SER  36   0.603   8.250   6.369
  253    HG   SER  36           HG       SER  36   1.195   6.732   8.251
  254    H    CYS  37           HN       CYS  37   0.883   6.969   3.824
  255    HA   CYS  37           HA       CYS  37  -0.432   9.203   2.501
  256   1HB   CYS  37           HB2      CYS  37   1.365   8.717   0.747
  257   2HB   CYS  37           HB1      CYS  37   1.939   9.094   2.363
  258    HG   CYS  37           HG       CYS  37   2.610   6.656   2.707
  259    H    LEU  38           HN       LEU  38  -0.586   5.698   2.110
  260    HA   LEU  38           HA       LEU  38  -1.720   5.818  -0.578
  261   1HB   LEU  38           HB2      LEU  38  -0.638   3.805   0.070
  262   2HB   LEU  38           HB1      LEU  38  -1.500   3.741   1.607
  263    HG   LEU  38           HG       LEU  38  -3.539   3.113   0.569
  264   1HD1  LEU  38          2HD1      LEU  38  -2.338   4.463  -1.752
  265   2HD1  LEU  38          1HD1      LEU  38  -3.206   2.985  -2.165
  266   3HD1  LEU  38          3HD1      LEU  38  -4.035   4.285  -1.308
  267   1HD2  LEU  38          3HD2      LEU  38  -1.566   1.415   0.513
  268   2HD2  LEU  38          2HD2      LEU  38  -3.001   1.057  -0.449
  269   3HD2  LEU  38          1HD2      LEU  38  -1.559   1.715  -1.224
  270    H    SER  39           HN       SER  39  -3.191   4.904   2.566
  271    HA   SER  39           HA       SER  39  -5.878   4.840   1.804
  272   1HB   SER  39           HB2      SER  39  -6.278   4.926   4.121
  273   2HB   SER  39           HB1      SER  39  -4.602   4.388   4.047
  274    HG   SER  39           HG       SER  39  -5.429   6.403   5.363
  275    H    THR  40           HN       THR  40  -3.973   7.691   2.824
  276    HA   THR  40           HA       THR  40  -6.209   9.533   2.561
  277    HB   THR  40           HB       THR  40  -4.228   9.822   4.051
  278    HG1  THR  40           HG1      THR  40  -5.479  11.598   2.799
  279   1HG2  THR  40          3HG2      THR  40  -2.708   8.934   2.074
  280   2HG2  THR  40          2HG2      THR  40  -2.608  10.648   1.672
  281   3HG2  THR  40          1HG2      THR  40  -2.067  10.080   3.251
  282    H    TRP  41           HN       TRP  41  -3.536   8.503   0.461
  283    HA   TRP  41           HA       TRP  41  -3.885  10.500  -1.570
  284   1HB   TRP  41           HB2      TRP  41  -1.877   9.309  -1.647
  285   2HB   TRP  41           HB1      TRP  41  -2.660   7.768  -1.309
  286    HD1  TRP  41           HD1      TRP  41  -2.112  10.290  -4.150
  287    HE1  TRP  41           HE1      TRP  41  -2.445   9.073  -6.400
  288    HE3  TRP  41           HE3      TRP  41  -3.740   5.755  -2.466
  289    HZ2  TRP  41           HZ2      TRP  41  -3.291   6.512  -7.356
  290    HZ3  TRP  41           HZ3      TRP  41  -4.302   3.945  -4.064
  291    HH2  TRP  41           HH2      TRP  41  -4.081   4.318  -6.506
  292    H    LEU  42           HN       LEU  42  -4.968   7.066  -1.556
  293    HA   LEU  42           HA       LEU  42  -6.586   7.190  -3.869
  294   1HB   LEU  42           HB2      LEU  42  -7.764   5.248  -2.758
  295   2HB   LEU  42           HB1      LEU  42  -6.008   5.107  -2.778
  296    HG   LEU  42           HG       LEU  42  -6.195   6.317  -0.434
  297   1HD1  LEU  42          2HD1      LEU  42  -8.962   5.546  -1.101
  298   2HD1  LEU  42          1HD1      LEU  42  -8.417   5.022   0.493
  299   3HD1  LEU  42          3HD1      LEU  42  -8.371   6.732   0.063
  300   1HD2  LEU  42          3HD2      LEU  42  -6.141   3.581  -1.339
  301   2HD2  LEU  42          2HD2      LEU  42  -5.372   4.284   0.085
  302   3HD2  LEU  42          1HD2      LEU  42  -7.027   3.681   0.182
  303    H    THR  43           HN       THR  43  -7.189   8.399  -0.627
  304    HA   THR  43           HA       THR  43 -10.051   8.676  -0.818
  305    HB   THR  43           HB       THR  43  -7.867  10.072   0.754
  306    HG1  THR  43           HG1      THR  43  -8.192   8.495   2.095
  307   1HG2  THR  43          2HG2      THR  43 -10.699  10.740   0.460
  308   2HG2  THR  43          1HG2      THR  43 -10.247  10.419   2.134
  309   3HG2  THR  43          3HG2      THR  43  -9.401  11.664   1.216
  310    H    ILE  44           HN       ILE  44  -7.339  10.883  -1.537
  311    HA   ILE  44           HA       ILE  44  -9.083  13.038  -2.453
  312    HB   ILE  44           HB       ILE  44  -6.111  12.503  -2.801
  313   1HG1  ILE  44          2HG1      ILE  44  -7.588  14.142  -0.714
  314   2HG1  ILE  44          1HG1      ILE  44  -6.901  12.542  -0.430
  315   1HG2  ILE  44          3HG2      ILE  44  -7.906  14.822  -3.397
  316   2HG2  ILE  44          2HG2      ILE  44  -6.289  15.164  -2.780
  317   3HG2  ILE  44          1HG2      ILE  44  -6.489  14.249  -4.275
  318   1HD1  ILE  44          3HD1      ILE  44  -4.661  13.404  -1.034
  319   2HD1  ILE  44          2HD1      ILE  44  -5.354  15.006  -1.286
  320   3HD1  ILE  44          1HD1      ILE  44  -5.347  14.293   0.327
  321    H    SER  45           HN       SER  45  -7.191  10.438  -3.965
  322    HA   SER  45           HA       SER  45  -7.799  11.333  -6.694
  323   1HB   SER  45           HB2      SER  45  -5.756  10.014  -5.697
  324   2HB   SER  45           HB1      SER  45  -6.800   8.607  -5.882
  325    HG   SER  45           HG       SER  45  -6.953   9.054  -8.071
  326    H    ARG  46           HN       ARG  46  -9.381   9.506  -4.267
  327    HA   ARG  46           HA       ARG  46 -11.421   8.322  -4.289
  328   1HB   ARG  46           HB2      ARG  46 -11.418  10.264  -6.409
  329   2HB   ARG  46           HB1      ARG  46 -12.288   8.828  -6.951
  330   1HG   ARG  46           HG2      ARG  46 -14.016   9.881  -5.853
  331   2HG   ARG  46           HG1      ARG  46 -13.322   9.011  -4.484
  332   1HD   ARG  46           HD2      ARG  46 -13.419  11.177  -3.609
  333   2HD   ARG  46           HD1      ARG  46 -11.794  11.197  -4.324
  334    HE   ARG  46           HE       ARG  46 -13.437  11.914  -6.431
  335   1HH1  ARG  46          1HH1      ARG  46 -14.148  14.018  -6.858
  336   2HH1  ARG  46          2HH1      ARG  46 -14.045  15.220  -5.616
  337   1HH2  ARG  46          1HH2      ARG  46 -12.783  13.040  -3.235
  338   2HH2  ARG  46          2HH2      ARG  46 -13.272  14.667  -3.569
  339    H    ASN  47           HN       ASN  47 -10.090   6.310  -4.311
  340    HA   ASN  47           HA       ASN  47 -10.445   4.812  -6.881
  341   1HB   ASN  47           HB2      ASN  47  -8.050   5.056  -5.051
  342   2HB   ASN  47           HB1      ASN  47  -8.208   3.733  -6.208
  343   1HD2  ASN  47          1HD2      ASN  47  -6.248   6.035  -6.220
  344   2HD2  ASN  47          2HD2      ASN  47  -6.473   6.800  -7.719
  345    H    THR  48           HN       THR  48  -9.373   4.266  -3.532
  346    HA   THR  48           HA       THR  48 -10.190   2.823  -1.857
  347    HB   THR  48           HB       THR  48 -12.456   2.326  -1.894
  348    HG1  THR  48           HG1      THR  48 -13.239   1.207  -3.453
  349   1HG2  THR  48          1HG2      THR  48 -11.803   4.784  -2.807
  350   2HG2  THR  48          3HG2      THR  48 -12.775   4.213  -4.164
  351   3HG2  THR  48          2HG2      THR  48 -13.470   4.270  -2.544
  352    H    ALA  49           HN       ALA  49  -9.390   1.802  -5.021
  353    HA   ALA  49           HA       ALA  49  -8.720  -0.881  -3.978
  354   1HB   ALA  49           HB3      ALA  49 -10.853  -0.218  -5.966
  355   2HB   ALA  49           HB2      ALA  49  -9.901  -1.677  -6.244
  356   3HB   ALA  49           HB1      ALA  49 -10.817  -1.493  -4.748
  357    H    CYS  50           HN       CYS  50  -6.944  -1.764  -5.064
  358    HA   CYS  50           HA       CYS  50  -5.330  -0.007  -6.702
  359   1HB   CYS  50           HB2      CYS  50  -4.445  -1.755  -5.183
  360   2HB   CYS  50           HB1      CYS  50  -5.191  -2.999  -6.188
  361    HG   CYS  50           HG       CYS  50  -3.540  -2.439  -8.095
  362    H    GLN  51           HN       GLN  51  -5.579   0.331  -8.882
  363    HA   GLN  51           HA       GLN  51  -7.459  -1.270 -10.444
  364   1HB   GLN  51           HB2      GLN  51  -6.940   0.369 -12.163
  365   2HB   GLN  51           HB1      GLN  51  -7.063   1.212 -10.618
  366   1HG   GLN  51           HG2      GLN  51  -4.676   1.328 -10.394
  367   2HG   GLN  51           HG1      GLN  51  -4.434   0.225 -11.749
  368   1HE2  GLN  51          1HE2      GLN  51  -6.148   3.353 -11.138
  369   2HE2  GLN  51          2HE2      GLN  51  -5.679   4.059 -12.608
  370    H    ILE  52           HN       ILE  52  -4.098  -1.473  -9.736
  371    HA   ILE  52           HA       ILE  52  -3.136  -2.623 -12.193
  372    HB   ILE  52           HB       ILE  52  -2.218  -2.985  -9.319
  373   1HG1  ILE  52          2HG1      ILE  52  -2.475  -0.601 -10.079
  374   2HG1  ILE  52          1HG1      ILE  52  -0.807  -1.046  -9.715
  375   1HG2  ILE  52          1HG2      ILE  52  -0.862  -3.376 -12.000
  376   2HG2  ILE  52          3HG2      ILE  52   0.025  -3.256 -10.480
  377   3HG2  ILE  52          2HG2      ILE  52  -1.110  -4.582 -10.737
  378   1HD1  ILE  52          3HD1      ILE  52  -1.972  -1.183 -12.505
  379   2HD1  ILE  52          2HD1      ILE  52  -1.133   0.239 -11.885
  380   3HD1  ILE  52          1HD1      ILE  52  -0.274  -1.294 -12.041
  381    H    CYS  53           HN       CYS  53  -4.131  -4.170  -9.106
  382    HA   CYS  53           HA       CYS  53  -4.422  -6.752 -10.597
  383   1HB   CYS  53           HB2      CYS  53  -4.245  -7.725  -8.309
  384   2HB   CYS  53           HB1      CYS  53  -2.858  -6.709  -8.699
  385    HG   CYS  53           HG       CYS  53  -3.451  -5.528  -6.596
  386    H    GLY  54           HN       GLY  54  -6.179  -4.251  -8.979
  387   1HA   GLY  54           HA1      GLY  54  -8.696  -5.716  -9.470
  388   2HA   GLY  54           HA2      GLY  54  -8.559  -4.004  -9.070
  389    H    VAL  55           HN       VAL  55  -6.665  -4.762  -6.796
  390    HA   VAL  55           HA       VAL  55  -8.506  -6.193  -4.954
  391    HB   VAL  55           HB       VAL  55  -5.678  -5.116  -4.701
  392   1HG1  VAL  55          1HG1      VAL  55  -7.569  -6.343  -2.758
  393   2HG1  VAL  55          3HG1      VAL  55  -5.904  -6.923  -2.712
  394   3HG1  VAL  55          2HG1      VAL  55  -6.248  -5.209  -2.478
  395   1HG2  VAL  55          3HG2      VAL  55  -6.214  -7.117  -6.251
  396   2HG2  VAL  55          2HG2      VAL  55  -4.957  -7.355  -5.035
  397   3HG2  VAL  55          1HG2      VAL  55  -6.577  -8.002  -4.769
  398    H    VAL  56           HN       VAL  56  -9.414  -5.167  -3.109
  399    HA   VAL  56           HA       VAL  56  -9.743  -2.258  -3.315
  400    HB   VAL  56           HB       VAL  56 -10.753  -4.391  -1.414
  401   1HG1  VAL  56          2HG1      VAL  56 -10.962  -1.429  -1.398
  402   2HG1  VAL  56          1HG1      VAL  56 -12.465  -2.311  -1.117
  403   3HG1  VAL  56          3HG1      VAL  56 -11.078  -2.571  -0.059
  404   1HG2  VAL  56          3HG2      VAL  56 -11.476  -4.273  -3.903
  405   2HG2  VAL  56          2HG2      VAL  56 -12.750  -4.320  -2.685
  406   3HG2  VAL  56          1HG2      VAL  56 -12.313  -2.789  -3.444
  407    H    TYR  57           HN       TYR  57  -8.765  -0.733  -1.990
  408    HA   TYR  57           HA       TYR  57  -6.358  -1.310  -0.606
  409   1HB   TYR  57           HB2      TYR  57  -8.323   0.984  -0.376
  410   2HB   TYR  57           HB1      TYR  57  -6.664   1.024   0.224
  411    HD1  TYR  57           HD1      TYR  57  -8.287   2.525  -2.187
  412    HD2  TYR  57           HD2      TYR  57  -5.274  -0.520  -1.893
  413    HE1  TYR  57           HE1      TYR  57  -7.479   3.101  -4.459
  414    HE2  TYR  57           HE2      TYR  57  -4.468   0.054  -4.158
  415    HH   TYR  57           HH       TYR  57  -6.231   1.971  -6.307
  416    H    ASN  58           HN       ASN  58  -9.608  -0.665   0.734
  417    HA   ASN  58           HA       ASN  58 -10.468  -1.105   2.901
  418   1HB   ASN  58           HB2      ASN  58  -9.624  -3.372   1.710
  419   2HB   ASN  58           HB1      ASN  58  -8.558  -3.386   3.117
  420   1HD2  ASN  58          1HD2      ASN  58  -9.542  -3.619   5.241
  421   2HD2  ASN  58          2HD2      ASN  58 -11.165  -4.080   5.425
  422    H    THR  59           HN       THR  59  -9.308   0.848   3.750
  423    HA   THR  59           HA       THR  59  -6.712   0.415   5.082
  424    HB   THR  59           HB       THR  59  -6.895   2.810   5.506
  425    HG1  THR  59           HG1      THR  59  -9.493   2.716   4.416
  426   1HG2  THR  59          1HG2      THR  59  -7.750   1.798   2.810
  427   2HG2  THR  59          3HG2      THR  59  -7.627   3.534   3.096
  428   3HG2  THR  59          2HG2      THR  59  -6.208   2.505   3.294
  429    H    ARG  60           HN       ARG  60  -6.435   0.336   7.346
  430    HA   ARG  60           HA       ARG  60  -8.918   0.364   9.024
  431   1HB   ARG  60           HB2      ARG  60  -7.774  -1.635  10.198
  432   2HB   ARG  60           HB1      ARG  60  -8.484  -1.939   8.613
  433   1HG   ARG  60           HG2      ARG  60  -5.646  -1.027   8.674
  434   2HG   ARG  60           HG1      ARG  60  -5.972  -2.676   9.208
  435   1HD   ARG  60           HD2      ARG  60  -7.522  -2.349   6.878
  436   2HD   ARG  60           HD1      ARG  60  -5.944  -1.628   6.505
  437    HE   ARG  60           HE       ARG  60  -4.939  -3.763   6.799
  438   1HH1  ARG  60          1HH1      ARG  60  -5.169  -5.340   8.780
  439   2HH1  ARG  60          2HH1      ARG  60  -6.596  -6.315   8.663
  440   1HH2  ARG  60          1HH2      ARG  60  -8.093  -4.302   6.269
  441   2HH2  ARG  60          2HH2      ARG  60  -8.252  -5.727   7.241

  No H/Q in entry =         441
  Start of MODEL   18
    1    H1   MET   1           HT2      MET   1 -10.912 -19.337 -15.305
    2    H2   MET   1           HT1      MET   1 -12.295 -19.975 -16.057
    3    H3   MET   1           HT3      MET   1 -10.989 -19.443 -16.998
    4    HA   MET   1           HA       MET   1 -12.496 -17.690 -17.185
    5   1HB   MET   1           HB2      MET   1 -13.635 -16.932 -15.001
    6   2HB   MET   1           HB1      MET   1 -14.118 -18.506 -15.636
    7   1HG   MET   1           HG2      MET   1 -12.394 -19.557 -14.127
    8   2HG   MET   1           HG1      MET   1 -12.144 -17.969 -13.400
    9   1HE   MET   1           HE1      MET   1 -13.238 -21.015 -13.017
   10   2HE   MET   1           HE3      MET   1 -13.297 -20.456 -11.340
   11   3HE   MET   1           HE2      MET   1 -14.743 -21.110 -12.105
   12    H    GLU   2           HN       GLU   2 -11.721 -15.566 -17.140
   13    HA   GLU   2           HA       GLU   2  -9.236 -15.102 -15.568
   14   1HB   GLU   2           HB2      GLU   2 -10.583 -13.868 -17.972
   15   2HB   GLU   2           HB1      GLU   2  -9.242 -13.053 -17.165
   16   1HG   GLU   2           HG2      GLU   2  -7.737 -14.438 -18.109
   17   2HG   GLU   2           HG1      GLU   2  -8.641 -15.861 -17.592
   18    H    ASP   3           HN       ASP   3  -9.018 -13.181 -14.263
   19    HA   ASP   3           HA       ASP   3 -11.563 -12.261 -13.068
   20   1HB   ASP   3           HB2      ASP   3  -9.137 -12.965 -12.072
   21   2HB   ASP   3           HB1      ASP   3  -8.926 -11.217 -12.184
   22    H    GLU   4           HN       GLU   4 -10.242  -9.706 -12.246
   23    HA   GLU   4           HA       GLU   4 -10.803  -8.176 -14.749
   24   1HB   GLU   4           HB2      GLU   4 -10.872  -7.607 -11.785
   25   2HB   GLU   4           HB1      GLU   4 -10.934  -6.299 -12.967
   26   1HG   GLU   4           HG2      GLU   4 -12.836  -7.713 -14.066
   27   2HG   GLU   4           HG1      GLU   4 -12.922  -8.507 -12.493
   28    H    ASP   5           HN       ASP   5  -8.865  -7.205 -11.939
   29    HA   ASP   5           HA       ASP   5  -6.383  -7.207 -13.567
   30   1HB   ASP   5           HB2      ASP   5  -7.977  -4.825 -12.677
   31   2HB   ASP   5           HB1      ASP   5  -6.219  -4.692 -12.738
   32    H    VAL   6           HN       VAL   6  -4.517  -7.234 -12.256
   33    HA   VAL   6           HA       VAL   6  -5.022  -7.546  -9.326
   34    HB   VAL   6           HB       VAL   6  -2.688  -8.389 -11.075
   35   1HG1  VAL   6          2HG1      VAL   6  -3.462  -8.881  -8.199
   36   2HG1  VAL   6          1HG1      VAL   6  -2.404  -9.996  -9.064
   37   3HG1  VAL   6          3HG1      VAL   6  -1.919  -8.316  -8.839
   38   1HG2  VAL   6          3HG2      VAL   6  -4.851  -9.472 -11.690
   39   2HG2  VAL   6          2HG2      VAL   6  -3.696 -10.620 -11.014
   40   3HG2  VAL   6          1HG2      VAL   6  -5.025 -10.018 -10.023
   41    HA   PRO   7           HA       PRO   7  -2.913  -3.638  -8.943
   42   1HB   PRO   7           HB2      PRO   7  -2.932  -3.551  -6.215
   43   2HB   PRO   7           HB1      PRO   7  -4.362  -3.184  -7.201
   44   1HG   PRO   7           HG2      PRO   7  -3.663  -5.667  -5.726
   45   2HG   PRO   7           HG1      PRO   7  -5.236  -4.882  -5.931
   46   1HD   PRO   7           HD2      PRO   7  -4.444  -7.079  -7.348
   47   2HD   PRO   7           HD1      PRO   7  -5.619  -5.888  -7.950
   48    H    VAL   8           HN       VAL   8  -0.863  -2.888  -8.001
   49    HA   VAL   8           HA       VAL   8   0.952  -5.064  -7.047
   50    HB   VAL   8           HB       VAL   8   1.707  -2.984  -9.104
   51   1HG1  VAL   8          2HG1      VAL   8   3.325  -4.510  -7.645
   52   2HG1  VAL   8          1HG1      VAL   8   2.900  -5.717  -8.859
   53   3HG1  VAL   8          3HG1      VAL   8   3.659  -4.202  -9.349
   54   1HG2  VAL   8          2HG2      VAL   8   0.559  -5.761  -9.515
   55   2HG2  VAL   8          1HG2      VAL   8  -0.120  -4.237 -10.086
   56   3HG2  VAL   8          3HG2      VAL   8   1.384  -4.846 -10.777
   57    H    CYS   9           HN       CYS   9   2.415  -4.391  -5.483
   58    HA   CYS   9           HA       CYS   9   1.973  -1.929  -4.086
   59   1HB   CYS   9           HB2      CYS   9   2.883  -3.883  -2.997
   60   2HB   CYS   9           HB1      CYS   9   4.229  -3.953  -4.134
   61    H    TRP  10           HN       TRP  10   2.505   0.043  -4.880
   62    HA   TRP  10           HA       TRP  10   4.277   0.507  -7.087
   63   1HB   TRP  10           HB2      TRP  10   3.862   2.873  -6.443
   64   2HB   TRP  10           HB1      TRP  10   2.374   1.925  -6.439
   65    HD1  TRP  10           HD1      TRP  10   1.212   1.433  -4.128
   66    HE1  TRP  10           HE1      TRP  10   1.570   2.378  -1.755
   67    HE3  TRP  10           HE3      TRP  10   5.695   3.800  -4.778
   68    HZ2  TRP  10           HZ2      TRP  10   3.499   3.929  -0.322
   69    HZ3  TRP  10           HZ3      TRP  10   6.768   5.001  -2.894
   70    HH2  TRP  10           HH2      TRP  10   5.676   5.069  -0.669
   71    H    ILE  11           HN       ILE  11   4.937   0.008  -3.725
   72    HA   ILE  11           HA       ILE  11   7.326   1.666  -3.566
   73    HB   ILE  11           HB       ILE  11   6.452  -0.728  -1.910
   74   1HG1  ILE  11          2HG1      ILE  11   5.781   2.227  -1.704
   75   2HG1  ILE  11          1HG1      ILE  11   4.650   0.911  -2.015
   76   1HG2  ILE  11          1HG2      ILE  11   8.809   0.079  -1.607
   77   2HG2  ILE  11          3HG2      ILE  11   8.167   1.666  -1.185
   78   3HG2  ILE  11          2HG2      ILE  11   7.813   0.272  -0.164
   79   1HD1  ILE  11          2HD1      ILE  11   5.221  -0.063   0.205
   80   2HD1  ILE  11          1HD1      ILE  11   6.262   1.325   0.519
   81   3HD1  ILE  11          3HD1      ILE  11   4.522   1.552   0.337
   82    H    CYS  12           HN       CYS  12   6.927  -1.911  -3.649
   83    HA   CYS  12           HA       CYS  12   9.726  -2.099  -4.680
   84   1HB   CYS  12           HB2      CYS  12   9.612  -4.377  -3.836
   85   2HB   CYS  12           HB1      CYS  12   9.001  -3.290  -2.589
   86    H    ASN  13           HN       ASN  13   6.691  -1.907  -5.944
   87    HA   ASN  13           HA       ASN  13   5.796  -2.507  -8.049
   88   1HB   ASN  13           HB2      ASN  13   8.559  -2.143  -8.266
   89   2HB   ASN  13           HB1      ASN  13   8.262  -3.682  -9.075
   90   1HD2  ASN  13          1HD2      ASN  13   5.741  -3.277 -10.218
   91   2HD2  ASN  13          2HD2      ASN  13   5.813  -1.999 -11.333
   92    H    GLU  14           HN       GLU  14   5.114  -4.348  -6.225
   93    HA   GLU  14           HA       GLU  14   5.579  -6.952  -7.627
   94   1HB   GLU  14           HB2      GLU  14   7.036  -6.876  -5.687
   95   2HB   GLU  14           HB1      GLU  14   5.713  -6.322  -4.662
   96   1HG   GLU  14           HG2      GLU  14   5.482  -8.533  -4.164
   97   2HG   GLU  14           HG1      GLU  14   4.639  -8.606  -5.713
   98    H    GLU  15           HN       GLU  15   3.648  -7.924  -8.090
   99    HA   GLU  15           HA       GLU  15   1.116  -6.780  -7.531
  100   1HB   GLU  15           HB2      GLU  15   2.255  -9.270  -8.623
  101   2HB   GLU  15           HB1      GLU  15   0.633  -9.457  -7.954
  102   1HG   GLU  15           HG2      GLU  15  -0.136  -7.535  -9.323
  103   2HG   GLU  15           HG1      GLU  15   1.477  -7.409 -10.026
  104    H    LEU  16           HN       LEU  16  -0.327  -7.015  -5.878
  105    HA   LEU  16           HA       LEU  16   0.441  -8.881  -3.661
  106   1HB   LEU  16           HB2      LEU  16  -0.683  -7.119  -2.189
  107   2HB   LEU  16           HB1      LEU  16   0.841  -6.640  -2.924
  108    HG   LEU  16           HG       LEU  16  -1.804  -5.997  -4.233
  109   1HD1  LEU  16          2HD1      LEU  16  -1.703  -5.130  -1.868
  110   2HD1  LEU  16          1HD1      LEU  16  -0.257  -4.230  -2.328
  111   3HD1  LEU  16          3HD1      LEU  16  -1.801  -3.872  -3.096
  112   1HD2  LEU  16          1HD2      LEU  16   1.004  -5.481  -4.774
  113   2HD2  LEU  16          3HD2      LEU  16  -0.401  -5.153  -5.787
  114   3HD2  LEU  16          2HD2      LEU  16   0.112  -3.967  -4.590
  115    H    GLY  17           HN       GLY  17  -2.066  -7.596  -5.714
  116   1HA   GLY  17           HA1      GLY  17  -3.752  -9.904  -5.197
  117   2HA   GLY  17           HA2      GLY  17  -4.092  -8.608  -6.334
  118    H    ASN  18           HN       ASN  18  -3.467  -8.018  -2.886
  119    HA   ASN  18           HA       ASN  18  -5.619  -6.296  -2.440
  120   1HB   ASN  18           HB2      ASN  18  -7.221  -8.057  -1.347
  121   2HB   ASN  18           HB1      ASN  18  -7.240  -7.875  -3.098
  122   1HD2  ASN  18          1HD2      ASN  18  -6.797  -9.741  -4.316
  123   2HD2  ASN  18          2HD2      ASN  18  -6.177 -11.183  -3.669
  124    H    GLU  19           HN       GLU  19  -3.053  -6.655  -1.282
  125    HA   GLU  19           HA       GLU  19  -3.039  -8.021   1.222
  126   1HB   GLU  19           HB2      GLU  19  -1.513  -5.975  -0.222
  127   2HB   GLU  19           HB1      GLU  19  -1.457  -5.754   1.527
  128   1HG   GLU  19           HG2      GLU  19  -1.139  -8.550   0.637
  129   2HG   GLU  19           HG1      GLU  19   0.165  -7.470   0.145
  130    H    ARG  20           HN       ARG  20  -4.518  -7.654   2.850
  131    HA   ARG  20           HA       ARG  20  -6.202  -5.357   3.041
  132   1HB   ARG  20           HB2      ARG  20  -5.504  -7.778   4.557
  133   2HB   ARG  20           HB1      ARG  20  -6.038  -6.445   5.581
  134   1HG   ARG  20           HG2      ARG  20  -7.905  -7.940   4.770
  135   2HG   ARG  20           HG1      ARG  20  -8.109  -6.238   4.355
  136   1HD   ARG  20           HD2      ARG  20  -7.353  -6.627   2.085
  137   2HD   ARG  20           HD1      ARG  20  -6.898  -8.297   2.477
  138    HE   ARG  20           HE       ARG  20  -9.728  -7.344   2.712
  139   1HH1  ARG  20          1HH1      ARG  20  -9.986  -8.385   0.258
  140   2HH1  ARG  20          2HH1      ARG  20  -9.940 -10.112   0.382
  141   1HH2  ARG  20          1HH2      ARG  20  -8.524 -10.114   3.548
  142   2HH2  ARG  20          2HH2      ARG  20  -9.112 -11.090   2.244
  143    H    PHE  21           HN       PHE  21  -4.956  -3.421   3.030
  144    HA   PHE  21           HA       PHE  21  -3.629  -2.803   5.610
  145   1HB   PHE  21           HB2      PHE  21  -1.863  -3.713   4.208
  146   2HB   PHE  21           HB1      PHE  21  -2.342  -2.674   2.867
  147    HD1  PHE  21           HD1      PHE  21  -2.670  -1.107   6.089
  148    HD2  PHE  21           HD2      PHE  21   0.129  -1.980   2.950
  149    HE1  PHE  21           HE1      PHE  21  -1.167   0.679   6.931
  150    HE2  PHE  21           HE2      PHE  21   1.627  -0.199   3.789
  151    HZ   PHE  21           HZ       PHE  21   0.983   1.134   5.781
  152    H    ARG  22           HN       ARG  22  -5.196  -1.170   6.022
  153    HA   ARG  22           HA       ARG  22  -5.983   0.770   3.991
  154   1HB   ARG  22           HB2      ARG  22  -6.345   0.386   6.960
  155   2HB   ARG  22           HB1      ARG  22  -6.889   1.874   6.185
  156   1HG   ARG  22           HG2      ARG  22  -8.805   0.607   5.947
  157   2HG   ARG  22           HG1      ARG  22  -7.970   0.149   4.462
  158   1HD   ARG  22           HD2      ARG  22  -7.716  -1.998   5.164
  159   2HD   ARG  22           HD1      ARG  22  -7.155  -1.479   6.766
  160    HE   ARG  22           HE       ARG  22  -9.959  -0.911   6.477
  161   1HH1  ARG  22          1HH1      ARG  22  -7.588  -3.118   7.558
  162   2HH1  ARG  22          2HH1      ARG  22  -8.727  -4.287   8.135
  163   1HH2  ARG  22          1HH2      ARG  22 -11.494  -2.569   6.950
  164   2HH2  ARG  22          2HH2      ARG  22 -10.938  -3.977   7.791
  165    H    ALA  23           HN       ALA  23  -4.029   1.783   3.262
  166    HA   ALA  23           HA       ALA  23  -2.621   3.427   5.341
  167   1HB   ALA  23           HB1      ALA  23  -0.591   2.982   4.161
  168   2HB   ALA  23           HB3      ALA  23  -1.434   1.436   4.244
  169   3HB   ALA  23           HB2      ALA  23  -1.463   2.375   2.753
  170    H    CYS  24           HN       CYS  24  -4.540   3.527   2.532
  171    HA   CYS  24           HA       CYS  24  -4.556   6.362   2.351
  172   1HB   CYS  24           HB2      CYS  24  -2.380   6.520   1.622
  173   2HB   CYS  24           HB1      CYS  24  -2.368   4.886   0.969
  174    H    GLY  25           HN       GLY  25  -5.583   7.104   0.256
  175   1HA   GLY  25           HA1      GLY  25  -7.818   6.630  -0.701
  176   2HA   GLY  25           HA2      GLY  25  -7.328   4.941  -0.843
  177    H    CYS  26           HN       CYS  26  -5.674   7.987  -1.747
  178    HA   CYS  26           HA       CYS  26  -5.066   8.764  -3.920
  179   1HB   CYS  26           HB2      CYS  26  -3.911   6.172  -3.166
  180   2HB   CYS  26           HB1      CYS  26  -3.824   6.489  -4.896
  181    H    THR  27           HN       THR  27  -4.771   7.162  -6.313
  182    HA   THR  27           HA       THR  27  -7.663   6.696  -6.939
  183    HB   THR  27           HB       THR  27  -5.409   7.269  -8.871
  184    HG1  THR  27           HG1      THR  27  -5.391   9.236  -8.186
  185   1HG2  THR  27          2HG2      THR  27  -8.218   6.777  -9.087
  186   2HG2  THR  27          1HG2      THR  27  -7.913   8.453  -9.545
  187   3HG2  THR  27          3HG2      THR  27  -7.071   7.144 -10.375
  188    H    GLY  28           HN       GLY  28  -4.636   5.105  -6.624
  189   1HA   GLY  28           HA1      GLY  28  -5.016   3.075  -8.649
  190   2HA   GLY  28           HA2      GLY  28  -5.610   2.522  -7.085
  191    H    GLU  29           HN       GLU  29  -2.719   4.158  -8.440
  192    HA   GLU  29           HA       GLU  29  -0.764   2.300  -7.889
  193   1HB   GLU  29           HB2      GLU  29  -0.115   4.300  -8.944
  194   2HB   GLU  29           HB1      GLU  29  -0.881   5.305  -7.715
  195   1HG   GLU  29           HG2      GLU  29   0.827   4.665  -6.081
  196   2HG   GLU  29           HG1      GLU  29   1.571   3.580  -7.256
  197    H    LEU  30           HN       LEU  30  -1.573   4.905  -5.554
  198    HA   LEU  30           HA       LEU  30  -0.238   3.505  -3.370
  199   1HB   LEU  30           HB2      LEU  30  -0.889   6.086  -3.978
  200   2HB   LEU  30           HB1      LEU  30  -2.165   5.691  -2.827
  201    HG   LEU  30           HG       LEU  30  -0.247   6.600  -1.622
  202   1HD1  LEU  30          1HD1      LEU  30  -1.597   4.434  -0.887
  203   2HD1  LEU  30          3HD1      LEU  30  -0.023   3.666  -1.084
  204   3HD1  LEU  30          2HD1      LEU  30  -0.219   5.001   0.052
  205   1HD2  LEU  30          3HD2      LEU  30   1.192   4.707  -3.396
  206   2HD2  LEU  30          2HD2      LEU  30   1.719   6.256  -2.739
  207   3HD2  LEU  30          1HD2      LEU  30   1.790   4.806  -1.739
  208    H    GLU  31           HN       GLU  31  -3.322   3.293  -4.823
  209    HA   GLU  31           HA       GLU  31  -5.021   2.752  -2.596
  210   1HB   GLU  31           HB2      GLU  31  -5.296   3.000  -5.268
  211   2HB   GLU  31           HB1      GLU  31  -5.338   1.241  -5.148
  212   1HG   GLU  31           HG2      GLU  31  -6.966   2.133  -3.049
  213   2HG   GLU  31           HG1      GLU  31  -7.378   3.178  -4.410
  214    H    ASN  32           HN       ASN  32  -2.746   0.689  -4.385
  215    HA   ASN  32           HA       ASN  32  -3.332  -1.519  -2.435
  216   1HB   ASN  32           HB2      ASN  32  -2.198  -1.747  -5.235
  217   2HB   ASN  32           HB1      ASN  32  -2.920  -3.021  -4.259
  218   1HD2  ASN  32          1HD2      ASN  32  -3.581  -0.882  -6.769
  219   2HD2  ASN  32          2HD2      ASN  32  -5.276  -0.883  -6.674
  220    H    VAL  33           HN       VAL  33  -1.592  -1.776  -1.047
  221    HA   VAL  33           HA       VAL  33   1.145  -1.616  -2.184
  222    HB   VAL  33           HB       VAL  33   0.645   0.656  -1.494
  223   1HG1  VAL  33          2HG1      VAL  33  -0.112  -0.597   1.162
  224   2HG1  VAL  33          1HG1      VAL  33  -0.010   1.136   0.850
  225   3HG1  VAL  33          3HG1      VAL  33  -1.222   0.161   0.020
  226   1HG2  VAL  33          3HG2      VAL  33   2.888  -0.346  -0.959
  227   2HG2  VAL  33          2HG2      VAL  33   2.432   0.981   0.112
  228   3HG2  VAL  33          1HG2      VAL  33   2.291  -0.689   0.663
  229    H    HIS  34           HN       HIS  34   2.523  -3.038  -1.196
  230    HA   HIS  34           HA       HIS  34   1.610  -5.062   0.607
  231   1HB   HIS  34           HB2      HIS  34   4.240  -3.979  -0.351
  232   2HB   HIS  34           HB1      HIS  34   4.215  -5.266   0.850
  233    HD2  HIS  34           HD2      HIS  34   1.914  -7.220  -0.401
  234    HE1  HIS  34           HE1      HIS  34   4.103  -6.989  -4.014
  235    HE2  HIS  34           HE2      HIS  34   2.352  -8.267  -2.730
  236    H    ARG  35           HN       ARG  35   1.226  -4.822   2.807
  237    HA   ARG  35           HA       ARG  35   1.907  -2.434   4.269
  238   1HB   ARG  35           HB2      ARG  35   0.030  -3.765   4.935
  239   2HB   ARG  35           HB1      ARG  35   1.011  -5.229   5.019
  240   1HG   ARG  35           HG2      ARG  35   2.088  -4.546   6.995
  241   2HG   ARG  35           HG1      ARG  35   1.665  -2.852   6.749
  242   1HD   ARG  35           HD2      ARG  35  -0.250  -3.116   7.928
  243   2HD   ARG  35           HD1      ARG  35  -0.740  -4.476   6.898
  244    HE   ARG  35           HE       ARG  35   1.305  -5.489   8.512
  245   1HH1  ARG  35          1HH1      ARG  35   0.604  -6.892  10.172
  246   2HH1  ARG  35          2HH1      ARG  35  -0.769  -6.437  11.125
  247   1HH2  ARG  35          1HH2      ARG  35  -1.501  -3.636   9.217
  248   2HH2  ARG  35          2HH2      ARG  35  -1.960  -4.595  10.584
  249    H    SER  36           HN       SER  36   3.718  -5.227   3.416
  250    HA   SER  36           HA       SER  36   5.521  -5.305   5.685
  251   1HB   SER  36           HB2      SER  36   6.850  -6.684   3.977
  252   2HB   SER  36           HB1      SER  36   5.223  -7.250   4.339
  253    HG   SER  36           HG       SER  36   5.737  -7.115   2.063
  254    H    CYS  37           HN       CYS  37   6.167  -4.291   2.288
  255    HA   CYS  37           HA       CYS  37   8.594  -2.896   3.127
  256   1HB   CYS  37           HB2      CYS  37   8.525  -2.152   0.659
  257   2HB   CYS  37           HB1      CYS  37   8.678  -3.871   0.976
  258    HG   CYS  37           HG       CYS  37   6.467  -4.265  -0.080
  259    H    LEU  38           HN       LEU  38   5.245  -1.933   2.704
  260    HA   LEU  38           HA       LEU  38   5.873   0.913   2.392
  261   1HB   LEU  38           HB2      LEU  38   3.812   0.120   1.492
  262   2HB   LEU  38           HB1      LEU  38   3.395  -0.717   2.987
  263    HG   LEU  38           HG       LEU  38   2.933   1.311   4.127
  264   1HD1  LEU  38          1HD1      LEU  38   4.603   2.515   1.951
  265   2HD1  LEU  38          3HD1      LEU  38   3.379   3.520   2.726
  266   3HD1  LEU  38          2HD1      LEU  38   4.663   2.793   3.692
  267   1HD2  LEU  38          3HD2      LEU  38   1.492   0.619   1.947
  268   2HD2  LEU  38          2HD2      LEU  38   1.072   1.994   2.969
  269   3HD2  LEU  38          1HD2      LEU  38   1.971   2.249   1.473
  270    H    SER  39           HN       SER  39   4.287  -0.918   5.047
  271    HA   SER  39           HA       SER  39   4.338   1.081   7.019
  272   1HB   SER  39           HB2      SER  39   3.176  -1.048   7.248
  273   2HB   SER  39           HB1      SER  39   4.701  -1.925   7.194
  274    HG   SER  39           HG       SER  39   5.284  -0.847   9.128
  275    H    THR  40           HN       THR  40   6.928  -1.115   5.983
  276    HA   THR  40           HA       THR  40   8.755  -0.215   8.104
  277    HB   THR  40           HB       THR  40   8.674  -2.524   7.104
  278    HG1  THR  40           HG1      THR  40  10.641  -1.324   7.967
  279   1HG2  THR  40          2HG2      THR  40   8.307  -1.514   4.755
  280   2HG2  THR  40          1HG2      THR  40  10.058  -1.319   4.716
  281   3HG2  THR  40          3HG2      THR  40   9.353  -2.927   4.883
  282    H    TRP  41           HN       TRP  41   8.174   0.435   4.668
  283    HA   TRP  41           HA       TRP  41  10.567   1.915   4.128
  284   1HB   TRP  41           HB2      TRP  41   9.284   1.209   2.287
  285   2HB   TRP  41           HB1      TRP  41   7.771   1.746   3.012
  286    HD1  TRP  41           HD1      TRP  41  10.974   3.172   1.419
  287    HE1  TRP  41           HE1      TRP  41  10.428   5.482   0.419
  288    HE3  TRP  41           HE3      TRP  41   6.150   3.702   3.007
  289    HZ2  TRP  41           HZ2      TRP  41   8.235   7.316   0.305
  290    HZ3  TRP  41           HZ3      TRP  41   4.857   5.740   2.438
  291    HH2  TRP  41           HH2      TRP  41   5.893   7.545   1.090
  292    H    LEU  42           HN       LEU  42   7.266   3.154   4.851
  293    HA   LEU  42           HA       LEU  42   7.918   5.876   5.149
  294   1HB   LEU  42           HB2      LEU  42   5.908   5.844   6.725
  295   2HB   LEU  42           HB1      LEU  42   5.636   5.145   5.132
  296    HG   LEU  42           HG       LEU  42   6.446   2.925   6.439
  297   1HD1  LEU  42          1HD1      LEU  42   5.539   4.881   8.498
  298   2HD1  LEU  42          3HD1      LEU  42   4.981   3.216   8.657
  299   3HD1  LEU  42          2HD1      LEU  42   6.709   3.568   8.634
  300   1HD2  LEU  42          3HD2      LEU  42   3.972   4.114   5.597
  301   2HD2  LEU  42          2HD2      LEU  42   4.383   2.402   5.701
  302   3HD2  LEU  42          1HD2      LEU  42   3.696   3.231   7.098
  303    H    THR  43           HN       THR  43   8.506   3.187   7.332
  304    HA   THR  43           HA       THR  43   9.024   4.699   9.725
  305    HB   THR  43           HB       THR  43  10.176   2.059   8.757
  306    HG1  THR  43           HG1      THR  43   7.759   2.741  10.064
  307   1HG2  THR  43          2HG2      THR  43  10.437   3.583  11.207
  308   2HG2  THR  43          1HG2      THR  43   9.667   2.027  11.520
  309   3HG2  THR  43          3HG2      THR  43  11.246   2.087  10.736
  310    H    ILE  44           HN       ILE  44  11.141   3.510   7.108
  311    HA   ILE  44           HA       ILE  44  13.522   4.791   8.242
  312    HB   ILE  44           HB       ILE  44  12.840   3.376   5.650
  313   1HG1  ILE  44          2HG1      ILE  44  14.885   2.107   7.157
  314   2HG1  ILE  44          1HG1      ILE  44  13.616   2.550   8.300
  315   1HG2  ILE  44          1HG2      ILE  44  15.450   4.579   6.603
  316   2HG2  ILE  44          3HG2      ILE  44  15.369   3.337   5.354
  317   3HG2  ILE  44          2HG2      ILE  44  14.604   4.904   5.091
  318   1HD1  ILE  44          3HD1      ILE  44  12.526   1.472   5.816
  319   2HD1  ILE  44          2HD1      ILE  44  13.598   0.327   6.624
  320   3HD1  ILE  44          1HD1      ILE  44  12.206   0.989   7.482
  321    H    SER  45           HN       SER  45  10.962   5.627   6.035
  322    HA   SER  45           HA       SER  45  12.444   7.922   4.885
  323   1HB   SER  45           HB2      SER  45  10.864   6.361   3.631
  324   2HB   SER  45           HB1      SER  45   9.547   7.086   4.550
  325    HG   SER  45           HG       SER  45  10.639   9.147   3.724
  326    H    ARG  46           HN       ARG  46  10.148   7.192   7.401
  327    HA   ARG  46           HA       ARG  46   9.311   8.580   9.127
  328   1HB   ARG  46           HB2      ARG  46  11.686   9.669   8.359
  329   2HB   ARG  46           HB1      ARG  46  10.592  11.002   7.990
  330   1HG   ARG  46           HG2      ARG  46   9.937   9.818  10.557
  331   2HG   ARG  46           HG1      ARG  46  11.625  10.334  10.514
  332   1HD   ARG  46           HD2      ARG  46  11.015  12.585   9.921
  333   2HD   ARG  46           HD1      ARG  46   9.330  12.111   9.627
  334    HE   ARG  46           HE       ARG  46   9.500  11.349  12.166
  335   1HH1  ARG  46          1HH1      ARG  46  12.164  12.957  12.173
  336   2HH1  ARG  46          2HH1      ARG  46  11.631  14.420  12.931
  337   1HH2  ARG  46          1HH2      ARG  46   8.260  13.734  12.493
  338   2HH2  ARG  46          2HH2      ARG  46   9.422  14.860  13.111
  339    H    ASN  47           HN       ASN  47   7.335   8.149   7.586
  340    HA   ASN  47           HA       ASN  47   6.301  10.808   6.656
  341   1HB   ASN  47           HB2      ASN  47   6.469   8.124   5.375
  342   2HB   ASN  47           HB1      ASN  47   4.999   9.053   5.075
  343   1HD2  ASN  47          1HD2      ASN  47   7.685   8.436   3.472
  344   2HD2  ASN  47          2HD2      ASN  47   8.059   9.955   2.814
  345    H    THR  48           HN       THR  48   5.130   7.505   7.316
  346    HA   THR  48           HA       THR  48   3.427   6.731   8.753
  347    HB   THR  48           HB       THR  48   2.965   7.984  10.647
  348    HG1  THR  48           HG1      THR  48   3.016  10.177   8.886
  349   1HG2  THR  48          2HG2      THR  48   5.547   8.082   9.787
  350   2HG2  THR  48          1HG2      THR  48   5.206   9.800  10.000
  351   3HG2  THR  48          3HG2      THR  48   5.009   8.686  11.354
  352    H    ALA  49           HN       ALA  49   2.965   9.224   6.435
  353    HA   ALA  49           HA       ALA  49   0.144   8.391   6.142
  354   1HB   ALA  49           HB3      ALA  49  -0.060  10.194   7.709
  355   2HB   ALA  49           HB1      ALA  49  -0.500  10.864   6.137
  356   3HB   ALA  49           HB2      ALA  49   1.096  11.184   6.816
  357    H    CYS  50           HN       CYS  50  -0.523   8.520   4.005
  358    HA   CYS  50           HA       CYS  50   1.377   8.783   1.900
  359   1HB   CYS  50           HB2      CYS  50  -0.855   7.611   1.869
  360   2HB   CYS  50           HB1      CYS  50  -1.630   9.194   1.807
  361    HG   CYS  50           HG       CYS  50  -1.337   8.932  -0.650
  362    H    GLN  51           HN       GLN  51   2.240  10.608   0.983
  363    HA   GLN  51           HA       GLN  51   1.239  13.259   1.813
  364   1HB   GLN  51           HB2      GLN  51   3.314  14.010   0.761
  365   2HB   GLN  51           HB1      GLN  51   3.655  12.587   1.747
  366   1HG   GLN  51           HG2      GLN  51   2.917  11.566  -0.758
  367   2HG   GLN  51           HG1      GLN  51   3.960  12.942  -1.119
  368   1HE2  GLN  51          1HE2      GLN  51   5.942  12.964   0.665
  369   2HE2  GLN  51          2HE2      GLN  51   6.743  11.472   0.783
  370    H    ILE  52           HN       ILE  52   0.374  11.121  -0.578
  371    HA   ILE  52           HA       ILE  52   0.159  13.008  -2.821
  372    HB   ILE  52           HB       ILE  52  -0.739  10.176  -2.242
  373   1HG1  ILE  52          2HG1      ILE  52   1.662  10.521  -2.653
  374   2HG1  ILE  52          1HG1      ILE  52   0.929   9.667  -4.011
  375   1HG2  ILE  52          3HG2      ILE  52  -1.286  11.940  -4.630
  376   2HG2  ILE  52          2HG2      ILE  52  -1.239  10.183  -4.772
  377   3HG2  ILE  52          1HG2      ILE  52  -2.425  10.951  -3.716
  378   1HD1  ILE  52          2HD1      ILE  52   0.613  12.396  -4.604
  379   2HD1  ILE  52          1HD1      ILE  52   2.256  12.245  -3.981
  380   3HD1  ILE  52          3HD1      ILE  52   1.745  11.274  -5.362
  381    H    CYS  53           HN       CYS  53  -2.061  11.462  -0.491
  382    HA   CYS  53           HA       CYS  53  -4.134  13.479  -1.291
  383   1HB   CYS  53           HB2      CYS  53  -5.704  11.583  -0.408
  384   2HB   CYS  53           HB1      CYS  53  -4.980  11.404  -2.003
  385    HG   CYS  53           HG       CYS  53  -4.373   9.190  -0.922
  386    H    GLY  54           HN       GLY  54  -2.213  12.186   1.251
  387   1HA   GLY  54           HA1      GLY  54  -3.540  14.017   3.155
  388   2HA   GLY  54           HA2      GLY  54  -1.983  13.226   3.399
  389    H    VAL  55           HN       VAL  55  -2.716  10.556   2.902
  390    HA   VAL  55           HA       VAL  55  -4.799  10.038   4.998
  391    HB   VAL  55           HB       VAL  55  -3.764   8.162   2.856
  392   1HG1  VAL  55          2HG1      VAL  55  -6.126   8.227   4.734
  393   2HG1  VAL  55          1HG1      VAL  55  -6.148   7.241   3.272
  394   3HG1  VAL  55          3HG1      VAL  55  -4.933   6.947   4.516
  395   1HG2  VAL  55          2HG2      VAL  55  -4.751  10.331   1.946
  396   2HG2  VAL  55          1HG2      VAL  55  -5.575   8.856   1.438
  397   3HG2  VAL  55          3HG2      VAL  55  -6.269   9.860   2.711
  398    H    VAL  56           HN       VAL  56  -4.136   8.925   6.825
  399    HA   VAL  56           HA       VAL  56  -1.308   8.493   7.285
  400    HB   VAL  56           HB       VAL  56  -3.821   7.721   8.793
  401   1HG1  VAL  56          1HG1      VAL  56  -0.950   7.222   9.280
  402   2HG1  VAL  56          3HG1      VAL  56  -1.820   7.921  10.646
  403   3HG1  VAL  56          2HG1      VAL  56  -2.363   6.398   9.940
  404   1HG2  VAL  56          2HG2      VAL  56  -3.164  10.200   8.308
  405   2HG2  VAL  56          1HG2      VAL  56  -3.547   9.748   9.969
  406   3HG2  VAL  56          3HG2      VAL  56  -1.864   9.916   9.467
  407    H    TYR  57           HN       TYR  57  -0.150   6.571   7.219
  408    HA   TYR  57           HA       TYR  57  -1.090   4.383   5.627
  409   1HB   TYR  57           HB2      TYR  57   1.195   4.625   7.603
  410   2HB   TYR  57           HB1      TYR  57   1.052   3.376   6.363
  411    HD1  TYR  57           HD1      TYR  57   3.023   5.946   6.901
  412    HD2  TYR  57           HD2      TYR  57  -0.064   4.908   4.106
  413    HE1  TYR  57           HE1      TYR  57   4.012   7.489   5.235
  414    HE2  TYR  57           HE2      TYR  57   0.921   6.449   2.439
  415    HH   TYR  57           HH       TYR  57   3.750   7.448   2.305
  416    H    ASN  58           HN       ASN  58  -0.773   4.806   9.140
  417    HA   ASN  58           HA       ASN  58  -1.586   3.485  10.931
  418   1HB   ASN  58           HB2      ASN  58  -3.630   4.338   9.690
  419   2HB   ASN  58           HB1      ASN  58  -3.686   2.781   8.861
  420   1HD2  ASN  58          1HD2      ASN  58  -5.455   4.128  11.073
  421   2HD2  ASN  58          2HD2      ASN  58  -5.616   2.899  12.233
  422    H    THR  59           HN       THR  59   0.416   2.065  10.304
  423    HA   THR  59           HA       THR  59  -0.353  -0.550   9.113
  424    HB   THR  59           HB       THR  59   2.073  -0.895   9.069
  425    HG1  THR  59           HG1      THR  59   3.124   0.015  10.624
  426   1HG2  THR  59          2HG2      THR  59   0.739   1.415   7.916
  427   2HG2  THR  59          1HG2      THR  59   2.462   1.718   8.142
  428   3HG2  THR  59          3HG2      THR  59   1.928   0.334   7.188
  429    H    ARG  60           HN       ARG  60   0.544  -2.523  10.304
  430    HA   ARG  60           HA       ARG  60   0.462  -3.893  12.229
  431   1HB   ARG  60           HB2      ARG  60   2.203  -1.667  12.569
  432   2HB   ARG  60           HB1      ARG  60   1.381  -1.916  14.110
  433   1HG   ARG  60           HG2      ARG  60   1.979  -4.496  13.375
  434   2HG   ARG  60           HG1      ARG  60   3.372  -3.609  12.751
  435   1HD   ARG  60           HD2      ARG  60   2.331  -3.555  15.607
  436   2HD   ARG  60           HD1      ARG  60   3.872  -4.236  15.047
  437    HE   ARG  60           HE       ARG  60   4.401  -1.858  14.247
  438   1HH1  ARG  60          1HH1      ARG  60   3.009  -2.743  17.204
  439   2HH1  ARG  60          2HH1      ARG  60   2.818  -1.122  17.784
  440   1HH2  ARG  60          1HH2      ARG  60   3.797   0.342  14.798
  441   2HH2  ARG  60          2HH2      ARG  60   3.262   0.625  16.421

  No H/Q in entry =         441
  Start of MODEL   19
    1    H1   MET   1           HT2      MET   1  -4.493  -4.005 -14.119
    2    H2   MET   1           HT1      MET   1  -5.472  -2.616 -14.131
    3    H3   MET   1           HT3      MET   1  -6.099  -4.099 -14.663
    4    HA   MET   1           HA       MET   1  -4.958  -4.045 -16.660
    5   1HB   MET   1           HB2      MET   1  -5.912  -1.407 -15.613
    6   2HB   MET   1           HB1      MET   1  -5.129  -1.434 -17.194
    7   1HG   MET   1           HG2      MET   1  -6.760  -3.506 -17.570
    8   2HG   MET   1           HG1      MET   1  -7.708  -2.679 -16.334
    9   1HE   MET   1           HE1      MET   1  -6.917  -0.032 -16.461
   10   2HE   MET   1           HE3      MET   1  -7.458   0.960 -17.822
   11   3HE   MET   1           HE2      MET   1  -8.636   0.121 -16.818
   12    H    GLU   2           HN       GLU   2  -2.815  -4.359 -14.898
   13    HA   GLU   2           HA       GLU   2  -0.847  -2.298 -15.841
   14   1HB   GLU   2           HB2      GLU   2  -0.973  -3.976 -13.318
   15   2HB   GLU   2           HB1      GLU   2   0.361  -2.896 -13.728
   16   1HG   GLU   2           HG2      GLU   2  -2.154  -1.503 -14.010
   17   2HG   GLU   2           HG1      GLU   2  -2.036  -2.213 -12.400
   18    H    ASP   3           HN       ASP   3  -0.870  -5.642 -14.600
   19    HA   ASP   3           HA       ASP   3   0.317  -7.553 -15.289
   20   1HB   ASP   3           HB2      ASP   3  -0.078  -8.015 -17.515
   21   2HB   ASP   3           HB1      ASP   3  -1.127  -6.611 -17.345
   22    H    GLU   4           HN       GLU   4   2.467  -8.285 -15.852
   23    HA   GLU   4           HA       GLU   4   4.816  -8.026 -15.697
   24   1HB   GLU   4           HB2      GLU   4   3.921  -5.990 -17.757
   25   2HB   GLU   4           HB1      GLU   4   5.591  -6.524 -17.566
   26   1HG   GLU   4           HG2      GLU   4   3.305  -8.451 -18.029
   27   2HG   GLU   4           HG1      GLU   4   4.241  -7.751 -19.351
   28    H    ASP   5           HN       ASP   5   6.519  -5.920 -15.797
   29    HA   ASP   5           HA       ASP   5   7.351  -4.098 -14.543
   30   1HB   ASP   5           HB2      ASP   5   4.579  -3.590 -15.264
   31   2HB   ASP   5           HB1      ASP   5   4.996  -2.789 -13.748
   32    H    VAL   6           HN       VAL   6   8.004  -3.998 -12.411
   33    HA   VAL   6           HA       VAL   6   6.316  -5.440 -10.397
   34    HB   VAL   6           HB       VAL   6   9.297  -4.879 -10.508
   35   1HG1  VAL   6          1HG1      VAL   6   8.185  -5.174  -8.221
   36   2HG1  VAL   6          3HG1      VAL   6   7.820  -6.824  -8.725
   37   3HG1  VAL   6          2HG1      VAL   6   9.496  -6.292  -8.596
   38   1HG2  VAL   6          3HG2      VAL   6   7.871  -6.644 -12.060
   39   2HG2  VAL   6          2HG2      VAL   6   9.563  -6.853 -11.608
   40   3HG2  VAL   6          1HG2      VAL   6   8.296  -7.648 -10.673
   41    HA   PRO   7           HA       PRO   7   6.035  -1.293  -8.696
   42   1HB   PRO   7           HB2      PRO   7   4.041  -1.880  -6.926
   43   2HB   PRO   7           HB1      PRO   7   3.742  -1.573  -8.647
   44   1HG   PRO   7           HG2      PRO   7   3.817  -4.134  -7.167
   45   2HG   PRO   7           HG1      PRO   7   2.836  -3.660  -8.559
   46   1HD   PRO   7           HD2      PRO   7   5.096  -5.257  -8.672
   47   2HD   PRO   7           HD1      PRO   7   4.397  -4.374 -10.045
   48    H    VAL   8           HN       VAL   8   6.369  -0.435  -6.460
   49    HA   VAL   8           HA       VAL   8   7.656  -2.426  -4.632
   50    HB   VAL   8           HB       VAL   8   8.631   0.392  -5.127
   51   1HG1  VAL   8          2HG1      VAL   8   9.331  -0.915  -3.065
   52   2HG1  VAL   8          1HG1      VAL   8  10.099  -2.073  -4.153
   53   3HG1  VAL   8          3HG1      VAL   8  10.660  -0.402  -4.105
   54   1HG2  VAL   8          1HG2      VAL   8   8.840  -1.992  -6.825
   55   2HG2  VAL   8          3HG2      VAL   8   9.213  -0.311  -7.205
   56   3HG2  VAL   8          2HG2      VAL   8  10.410  -1.317  -6.390
   57    H    CYS   9           HN       CYS   9   7.163  -2.171  -2.475
   58    HA   CYS   9           HA       CYS   9   4.916  -0.587  -1.684
   59   1HB   CYS   9           HB2      CYS   9   5.556  -2.633  -0.553
   60   2HB   CYS   9           HB1      CYS   9   7.147  -1.976  -0.169
   61    H    TRP  10           HN       TRP  10   4.956   1.601  -1.562
   62    HA   TRP  10           HA       TRP  10   7.269   3.254  -1.517
   63   1HB   TRP  10           HB2      TRP  10   5.604   5.006  -1.060
   64   2HB   TRP  10           HB1      TRP  10   4.967   3.856  -2.238
   65    HD1  TRP  10           HD1      TRP  10   3.154   2.057  -1.355
   66    HE1  TRP  10           HE1      TRP  10   1.522   2.156   0.639
   67    HE3  TRP  10           HE3      TRP  10   5.251   5.872   1.321
   68    HZ2  TRP  10           HZ2      TRP  10   1.154   3.656   3.050
   69    HZ3  TRP  10           HZ3      TRP  10   4.242   6.613   3.458
   70    HH2  TRP  10           HH2      TRP  10   2.200   5.510   4.325
   71    H    ILE  11           HN       ILE  11   5.901   1.421   1.042
   72    HA   ILE  11           HA       ILE  11   6.653   3.271   3.195
   73    HB   ILE  11           HB       ILE  11   5.924   0.333   3.349
   74   1HG1  ILE  11          2HG1      ILE  11   4.220   2.789   2.890
   75   2HG1  ILE  11          1HG1      ILE  11   4.199   1.266   2.004
   76   1HG2  ILE  11          1HG2      ILE  11   6.729   1.446   5.419
   77   2HG2  ILE  11          3HG2      ILE  11   5.469   2.668   5.235
   78   3HG2  ILE  11          2HG2      ILE  11   5.030   0.986   5.537
   79   1HD1  ILE  11          3HD1      ILE  11   3.494   0.196   4.253
   80   2HD1  ILE  11          2HD1      ILE  11   3.132   1.845   4.766
   81   3HD1  ILE  11          1HD1      ILE  11   2.286   1.145   3.386
   82    H    CYS  12           HN       CYS  12   7.737  -0.047   2.328
   83    HA   CYS  12           HA       CYS  12  10.280   0.488   3.792
   84   1HB   CYS  12           HB2      CYS  12  10.478  -1.989   3.652
   85   2HB   CYS  12           HB1      CYS  12   8.951  -1.494   4.380
   86    H    ASN  13           HN       ASN  13   9.196   0.877   0.704
   87    HA   ASN  13           HA       ASN  13  10.311   1.020  -1.381
   88   1HB   ASN  13           HB2      ASN  13  12.142   1.571   0.780
   89   2HB   ASN  13           HB1      ASN  13  13.007   0.762  -0.528
   90   1HD2  ASN  13          1HD2      ASN  13  11.510   3.748   0.442
   91   2HD2  ASN  13          2HD2      ASN  13  11.767   4.588  -1.012
   92    H    GLU  14           HN       GLU  14   9.382  -1.518  -0.807
   93    HA   GLU  14           HA       GLU  14  11.597  -3.267  -1.818
   94   1HB   GLU  14           HB2      GLU  14  11.179  -3.669   0.558
   95   2HB   GLU  14           HB1      GLU  14   9.450  -3.833   0.251
   96   1HG   GLU  14           HG2      GLU  14  10.045  -5.744  -1.332
   97   2HG   GLU  14           HG1      GLU  14  11.672  -5.674  -0.651
   98    H    GLU  15           HN       GLU  15  11.015  -4.439  -3.624
   99    HA   GLU  15           HA       GLU  15   8.564  -3.922  -5.009
  100   1HB   GLU  15           HB2      GLU  15  10.937  -5.695  -5.234
  101   2HB   GLU  15           HB1      GLU  15   9.507  -6.187  -6.144
  102   1HG   GLU  15           HG2      GLU  15   9.425  -4.086  -7.311
  103   2HG   GLU  15           HG1      GLU  15  10.656  -3.388  -6.257
  104    H    LEU  16           HN       LEU  16   6.739  -5.149  -5.265
  105    HA   LEU  16           HA       LEU  16   6.403  -7.510  -3.462
  106   1HB   LEU  16           HB2      LEU  16   4.251  -6.647  -2.790
  107   2HB   LEU  16           HB1      LEU  16   5.414  -5.341  -2.616
  108    HG   LEU  16           HG       LEU  16   3.620  -5.687  -5.025
  109   1HD1  LEU  16          2HD1      LEU  16   3.135  -4.607  -2.368
  110   2HD1  LEU  16          1HD1      LEU  16   2.910  -3.388  -3.621
  111   3HD1  LEU  16          3HD1      LEU  16   1.989  -4.892  -3.679
  112   1HD2  LEU  16          3HD2      LEU  16   5.805  -3.860  -4.272
  113   2HD2  LEU  16          2HD2      LEU  16   5.140  -4.217  -5.865
  114   3HD2  LEU  16          1HD2      LEU  16   4.340  -3.043  -4.820
  115    H    GLY  17           HN       GLY  17   5.937  -6.073  -6.563
  116   1HA   GLY  17           HA1      GLY  17   5.275  -8.618  -7.750
  117   2HA   GLY  17           HA2      GLY  17   5.439  -7.093  -8.605
  118    H    ASN  18           HN       ASN  18   3.126  -7.585  -5.947
  119    HA   ASN  18           HA       ASN  18   0.912  -6.433  -7.179
  120   1HB   ASN  18           HB2      ASN  18  -0.220  -8.671  -7.968
  121   2HB   ASN  18           HB1      ASN  18   0.934  -7.875  -9.034
  122   1HD2  ASN  18          1HD2      ASN  18   1.361 -10.038  -6.158
  123   2HD2  ASN  18          2HD2      ASN  18   2.383 -11.129  -6.958
  124    H    GLU  19           HN       GLU  19   1.782  -6.841  -4.514
  125    HA   GLU  19           HA       GLU  19   0.493  -8.957  -3.113
  126   1HB   GLU  19           HB2      GLU  19   2.198  -7.062  -2.437
  127   2HB   GLU  19           HB1      GLU  19   0.738  -6.163  -2.020
  128   1HG   GLU  19           HG2      GLU  19   1.593  -7.393  -0.063
  129   2HG   GLU  19           HG1      GLU  19   0.018  -8.018  -0.553
  130    H    ARG  20           HN       ARG  20  -1.693  -9.379  -3.326
  131    HA   ARG  20           HA       ARG  20  -3.663  -7.487  -4.160
  132   1HB   ARG  20           HB2      ARG  20  -3.433 -10.241  -3.355
  133   2HB   ARG  20           HB1      ARG  20  -4.840  -9.532  -2.562
  134   1HG   ARG  20           HG2      ARG  20  -4.955  -8.533  -5.166
  135   2HG   ARG  20           HG1      ARG  20  -4.454 -10.212  -5.371
  136   1HD   ARG  20           HD2      ARG  20  -6.365 -10.816  -3.750
  137   2HD   ARG  20           HD1      ARG  20  -6.955  -9.164  -4.026
  138    HE   ARG  20           HE       ARG  20  -6.448 -11.077  -6.278
  139   1HH1  ARG  20          1HH1      ARG  20  -7.439  -7.969  -5.662
  140   2HH1  ARG  20          2HH1      ARG  20  -8.960  -8.084  -6.482
  141   1HH2  ARG  20          1HH2      ARG  20  -8.765 -11.518  -6.921
  142   2HH2  ARG  20          2HH2      ARG  20  -9.712 -10.094  -7.193
  143    H    PHE  21           HN       PHE  21  -3.592  -5.596  -2.882
  144    HA   PHE  21           HA       PHE  21  -4.790  -5.856  -0.177
  145   1HB   PHE  21           HB2      PHE  21  -2.388  -5.951   0.179
  146   2HB   PHE  21           HB1      PHE  21  -2.137  -4.558  -0.870
  147    HD1  PHE  21           HD1      PHE  21  -5.108  -4.415   1.190
  148    HD2  PHE  21           HD2      PHE  21  -0.899  -3.579   1.112
  149    HE1  PHE  21           HE1      PHE  21  -5.373  -2.893   3.134
  150    HE2  PHE  21           HE2      PHE  21  -1.160  -2.064   3.050
  151    HZ   PHE  21           HZ       PHE  21  -3.395  -1.715   4.063
  152    H    ARG  22           HN       ARG  22  -6.645  -4.706  -0.875
  153    HA   ARG  22           HA       ARG  22  -6.502  -2.305  -2.502
  154   1HB   ARG  22           HB2      ARG  22  -8.390  -4.128  -1.883
  155   2HB   ARG  22           HB1      ARG  22  -8.814  -2.884  -0.707
  156   1HG   ARG  22           HG2      ARG  22  -8.604  -1.261  -2.764
  157   2HG   ARG  22           HG1      ARG  22  -8.835  -2.734  -3.707
  158   1HD   ARG  22           HD2      ARG  22 -10.839  -3.107  -1.979
  159   2HD   ARG  22           HD1      ARG  22 -10.756  -1.337  -1.888
  160    HE   ARG  22           HE       ARG  22 -10.585  -1.958  -4.617
  161   1HH1  ARG  22          1HH1      ARG  22 -12.530  -0.981  -5.538
  162   2HH1  ARG  22          2HH1      ARG  22 -14.045  -1.620  -4.996
  163   1HH2  ARG  22          1HH2      ARG  22 -12.655  -3.426  -2.387
  164   2HH2  ARG  22          2HH2      ARG  22 -14.116  -3.002  -3.215
  165    H    ALA  23           HN       ALA  23  -5.083  -0.831  -1.396
  166    HA   ALA  23           HA       ALA  23  -6.188   0.248   1.178
  167   1HB   ALA  23           HB2      ALA  23  -3.535   0.827   1.280
  168   2HB   ALA  23           HB3      ALA  23  -3.494  -0.655   0.326
  169   3HB   ALA  23           HB1      ALA  23  -4.222  -0.660   1.933
  170    H    CYS  24           HN       CYS  24  -5.246   0.910  -2.054
  171    HA   CYS  24           HA       CYS  24  -6.004   3.695  -1.798
  172   1HB   CYS  24           HB2      CYS  24  -3.472   3.117  -0.947
  173   2HB   CYS  24           HB1      CYS  24  -3.187   3.534  -2.631
  174    H    GLY  25           HN       GLY  25  -4.503   4.693  -3.963
  175   1HA   GLY  25           HA1      GLY  25  -6.004   3.873  -6.198
  176   2HA   GLY  25           HA2      GLY  25  -4.506   2.944  -6.237
  177    H    CYS  26           HN       CYS  26  -2.945   5.126  -4.977
  178    HA   CYS  26           HA       CYS  26  -3.114   7.589  -6.356
  179   1HB   CYS  26           HB2      CYS  26  -0.736   6.017  -5.320
  180   2HB   CYS  26           HB1      CYS  26  -0.691   7.731  -5.734
  181    H    THR  27           HN       THR  27  -0.046   6.526  -7.258
  182    HA   THR  27           HA       THR  27  -1.004   5.898 -10.031
  183    HB   THR  27           HB       THR  27   1.414   7.210 -10.321
  184    HG1  THR  27           HG1      THR  27   1.698   8.257  -8.538
  185   1HG2  THR  27          1HG2      THR  27  -0.689   7.542 -11.607
  186   2HG2  THR  27          3HG2      THR  27  -1.352   8.447 -10.245
  187   3HG2  THR  27          2HG2      THR  27   0.045   9.071 -11.122
  188    H    GLY  28           HN       GLY  28   1.115   5.011  -7.433
  189   1HA   GLY  28           HA1      GLY  28   3.154   3.703  -8.967
  190   2HA   GLY  28           HA2      GLY  28   1.860   2.557  -8.626
  191    H    GLU  29           HN       GLU  29   4.251   4.699  -7.099
  192    HA   GLU  29           HA       GLU  29   5.194   2.976  -5.172
  193   1HB   GLU  29           HB2      GLU  29   5.945   4.933  -4.021
  194   2HB   GLU  29           HB1      GLU  29   5.843   5.391  -5.720
  195   1HG   GLU  29           HG2      GLU  29   3.581   6.347  -5.291
  196   2HG   GLU  29           HG1      GLU  29   3.775   5.967  -3.579
  197    H    LEU  30           HN       LEU  30   2.318   5.084  -4.760
  198    HA   LEU  30           HA       LEU  30   1.688   3.758  -2.196
  199   1HB   LEU  30           HB2      LEU  30   1.460   6.281  -2.977
  200   2HB   LEU  30           HB1      LEU  30  -0.077   5.715  -3.628
  201    HG   LEU  30           HG       LEU  30  -0.364   6.573  -1.336
  202   1HD1  LEU  30          1HD1      LEU  30  -1.569   4.480  -2.308
  203   2HD1  LEU  30          3HD1      LEU  30  -0.566   3.576  -1.175
  204   3HD1  LEU  30          2HD1      LEU  30  -1.694   4.793  -0.577
  205   1HD2  LEU  30          1HD2      LEU  30   2.073   5.070  -0.931
  206   2HD2  LEU  30          3HD2      LEU  30   1.292   6.220   0.155
  207   3HD2  LEU  30          2HD2      LEU  30   0.832   4.518   0.198
  208    H    GLU  31           HN       GLU  31   0.500   3.936  -5.522
  209    HA   GLU  31           HA       GLU  31  -1.953   2.549  -5.302
  210   1HB   GLU  31           HB2      GLU  31  -1.463   3.477  -7.389
  211   2HB   GLU  31           HB1      GLU  31   0.206   2.913  -7.357
  212   1HG   GLU  31           HG2      GLU  31  -1.004   1.621  -9.008
  213   2HG   GLU  31           HG1      GLU  31  -0.644   0.571  -7.637
  214    H    ASN  32           HN       ASN  32   1.352   1.391  -5.109
  215    HA   ASN  32           HA       ASN  32   0.319  -1.406  -4.733
  216   1HB   ASN  32           HB2      ASN  32   2.994  -0.437  -5.794
  217   2HB   ASN  32           HB1      ASN  32   2.449  -2.110  -5.719
  218   1HD2  ASN  32          1HD2      ASN  32   2.605   0.606  -7.748
  219   2HD2  ASN  32          2HD2      ASN  32   1.445   0.128  -8.894
  220    H    VAL  33           HN       VAL  33   0.598  -2.007  -2.595
  221    HA   VAL  33           HA       VAL  33   3.107  -1.201  -1.229
  222    HB   VAL  33           HB       VAL  33   1.573   0.613  -0.784
  223   1HG1  VAL  33          1HG1      VAL  33  -0.500  -0.627  -1.360
  224   2HG1  VAL  33          3HG1      VAL  33  -0.362  -1.529   0.150
  225   3HG1  VAL  33          2HG1      VAL  33  -0.646   0.211   0.185
  226   1HG2  VAL  33          3HG2      VAL  33   2.949  -0.205   1.106
  227   2HG2  VAL  33          2HG2      VAL  33   1.406   0.440   1.666
  228   3HG2  VAL  33          1HG2      VAL  33   1.649  -1.304   1.565
  229    H    HIS  34           HN       HIS  34   3.771  -2.714   0.258
  230    HA   HIS  34           HA       HIS  34   2.669  -5.346   0.324
  231   1HB   HIS  34           HB2      HIS  34   4.594  -3.714   1.942
  232   2HB   HIS  34           HB1      HIS  34   4.195  -5.348   2.462
  233    HD2  HIS  34           HD2      HIS  34   4.348  -7.004  -0.315
  234    HE1  HIS  34           HE1      HIS  34   8.071  -5.100  -0.960
  235    HE2  HIS  34           HE2      HIS  34   6.585  -7.020  -1.623
  236    H    ARG  35           HN       ARG  35   0.916  -6.087   1.476
  237    HA   ARG  35           HA       ARG  35  -0.629  -4.401   3.235
  238   1HB   ARG  35           HB2      ARG  35  -1.011  -6.664   1.766
  239   2HB   ARG  35           HB1      ARG  35  -0.880  -7.352   3.383
  240   1HG   ARG  35           HG2      ARG  35  -2.549  -4.954   3.336
  241   2HG   ARG  35           HG1      ARG  35  -3.168  -6.224   2.278
  242   1HD   ARG  35           HD2      ARG  35  -2.464  -6.541   5.220
  243   2HD   ARG  35           HD1      ARG  35  -4.095  -6.554   4.523
  244    HE   ARG  35           HE       ARG  35  -2.082  -8.700   4.246
  245   1HH1  ARG  35          1HH1      ARG  35  -4.946  -7.205   3.034
  246   2HH1  ARG  35          2HH1      ARG  35  -5.596  -8.674   2.392
  247   1HH2  ARG  35          1HH2      ARG  35  -2.962 -10.640   3.483
  248   2HH2  ARG  35          2HH2      ARG  35  -4.477 -10.613   2.643
  249    H    SER  36           HN       SER  36   2.182  -6.317   3.724
  250    HA   SER  36           HA       SER  36   1.738  -7.009   6.514
  251   1HB   SER  36           HB2      SER  36   3.337  -7.919   4.590
  252   2HB   SER  36           HB1      SER  36   4.449  -6.737   5.275
  253    HG   SER  36           HG       SER  36   3.553  -7.858   7.355
  254    H    CYS  37           HN       CYS  37   4.113  -4.740   5.046
  255    HA   CYS  37           HA       CYS  37   4.537  -3.440   7.622
  256   1HB   CYS  37           HB2      CYS  37   5.886  -1.827   6.109
  257   2HB   CYS  37           HB1      CYS  37   6.430  -3.489   6.235
  258    HG   CYS  37           HG       CYS  37   4.653  -2.659   3.813
  259    H    LEU  38           HN       LEU  38   2.387  -2.807   4.905
  260    HA   LEU  38           HA       LEU  38   1.953  -0.007   5.627
  261   1HB   LEU  38           HB2      LEU  38   1.552  -0.724   3.373
  262   2HB   LEU  38           HB1      LEU  38   0.506  -2.038   3.909
  263    HG   LEU  38           HG       LEU  38  -1.233  -0.554   4.534
  264   1HD1  LEU  38          1HD1      LEU  38   0.999   1.361   4.786
  265   2HD1  LEU  38          3HD1      LEU  38  -0.486   2.052   4.131
  266   3HD1  LEU  38          2HD1      LEU  38  -0.504   1.254   5.704
  267   1HD2  LEU  38          2HD2      LEU  38  -0.421  -0.666   1.970
  268   2HD2  LEU  38          1HD2      LEU  38  -1.819   0.283   2.475
  269   3HD2  LEU  38          3HD2      LEU  38  -0.258   1.070   2.236
  270    H    SER  39           HN       SER  39  -0.196  -2.875   5.828
  271    HA   SER  39           HA       SER  39  -2.234  -1.791   7.409
  272   1HB   SER  39           HB2      SER  39  -2.829  -4.044   7.739
  273   2HB   SER  39           HB1      SER  39  -1.836  -4.125   6.286
  274    HG   SER  39           HG       SER  39  -0.960  -5.625   7.585
  275    H    THR  40           HN       THR  40   0.924  -3.064   8.423
  276    HA   THR  40           HA       THR  40   0.332  -2.737  11.281
  277    HB   THR  40           HB       THR  40   1.849  -4.465  10.149
  278    HG1  THR  40           HG1      THR  40   2.334  -2.937  12.381
  279   1HG2  THR  40          3HG2      THR  40   3.598  -2.003   9.932
  280   2HG2  THR  40          2HG2      THR  40   4.190  -3.654   9.747
  281   3HG2  THR  40          1HG2      THR  40   3.009  -3.008   8.609
  282    H    TRP  41           HN       TRP  41   2.066  -0.969   8.735
  283    HA   TRP  41           HA       TRP  41   3.399   0.946  10.380
  284   1HB   TRP  41           HB2      TRP  41   4.045   0.792   8.121
  285   2HB   TRP  41           HB1      TRP  41   2.382   0.824   7.543
  286    HD1  TRP  41           HD1      TRP  41   5.010   3.136   9.152
  287    HE1  TRP  41           HE1      TRP  41   4.501   5.565   8.460
  288    HE3  TRP  41           HE3      TRP  41   0.635   2.437   6.602
  289    HZ2  TRP  41           HZ2      TRP  41   2.508   7.022   7.017
  290    HZ3  TRP  41           HZ3      TRP  41  -0.543   4.363   5.578
  291    HH2  TRP  41           HH2      TRP  41   0.386   6.652   5.783
  292    H    LEU  42           HN       LEU  42   0.330   1.346   8.554
  293    HA   LEU  42           HA       LEU  42  -0.450   3.829   9.625
  294   1HB   LEU  42           HB2      LEU  42  -2.789   2.937   9.114
  295   2HB   LEU  42           HB1      LEU  42  -1.633   2.837   7.788
  296    HG   LEU  42           HG       LEU  42  -1.180   0.436   8.948
  297   1HD1  LEU  42          2HD1      LEU  42  -2.975   0.928  10.653
  298   2HD1  LEU  42          1HD1      LEU  42  -4.143   0.912   9.332
  299   3HD1  LEU  42          3HD1      LEU  42  -3.235  -0.548   9.723
  300   1HD2  LEU  42          2HD2      LEU  42  -2.710   1.474   6.710
  301   2HD2  LEU  42          1HD2      LEU  42  -1.730   0.011   6.800
  302   3HD2  LEU  42          3HD2      LEU  42  -3.415  -0.025   7.313
  303    H    THR  43           HN       THR  43  -0.678   0.600  11.036
  304    HA   THR  43           HA       THR  43  -2.432   1.269  13.218
  305    HB   THR  43           HB       THR  43  -0.254  -0.830  12.947
  306    HG1  THR  43           HG1      THR  43  -1.640  -1.200  11.333
  307   1HG2  THR  43          3HG2      THR  43  -1.869  -0.137  15.152
  308   2HG2  THR  43          2HG2      THR  43  -2.587  -1.595  14.469
  309   3HG2  THR  43          1HG2      THR  43  -0.894  -1.595  14.963
  310    H    ILE  44           HN       ILE  44   1.129   1.128  12.932
  311    HA   ILE  44           HA       ILE  44   1.578   2.054  15.660
  312    HB   ILE  44           HB       ILE  44   3.362   1.881  13.207
  313   1HG1  ILE  44          2HG1      ILE  44   3.487  -0.069  15.458
  314   2HG1  ILE  44          1HG1      ILE  44   2.104  -0.196  14.371
  315   1HG2  ILE  44          3HG2      ILE  44   3.892   3.205  15.557
  316   2HG2  ILE  44          2HG2      ILE  44   4.520   1.593  15.902
  317   3HG2  ILE  44          1HG2      ILE  44   5.120   2.494  14.510
  318   1HD1  ILE  44          1HD1      ILE  44   4.422   0.211  12.763
  319   2HD1  ILE  44          3HD1      ILE  44   4.796  -1.066  13.921
  320   3HD1  ILE  44          2HD1      ILE  44   3.403  -1.225  12.851
  321    H    SER  45           HN       SER  45   1.598   3.538  12.422
  322    HA   SER  45           HA       SER  45   2.369   6.175  13.463
  323   1HB   SER  45           HB2      SER  45   2.673   4.908  11.106
  324   2HB   SER  45           HB1      SER  45   1.178   5.770  10.755
  325    HG   SER  45           HG       SER  45   2.853   7.124  10.236
  326    H    ARG  46           HN       ARG  46  -0.502   4.398  13.369
  327    HA   ARG  46           HA       ARG  46  -2.717   5.035  13.914
  328   1HB   ARG  46           HB2      ARG  46  -1.216   6.680  15.298
  329   2HB   ARG  46           HB1      ARG  46  -1.715   7.869  14.094
  330   1HG   ARG  46           HG2      ARG  46  -3.566   8.166  15.355
  331   2HG   ARG  46           HG1      ARG  46  -4.091   6.591  14.758
  332   1HD   ARG  46           HD2      ARG  46  -2.343   5.905  16.798
  333   2HD   ARG  46           HD1      ARG  46  -3.174   7.336  17.443
  334    HE   ARG  46           HE       ARG  46  -4.510   4.827  16.558
  335   1HH1  ARG  46          1HH1      ARG  46  -6.025   7.406  15.949
  336   2HH1  ARG  46          2HH1      ARG  46  -7.025   7.544  17.357
  337   1HH2  ARG  46          1HH2      ARG  46  -5.187   5.265  19.212
  338   2HH2  ARG  46          2HH2      ARG  46  -6.551   6.332  19.202
  339    H    ASN  47           HN       ASN  47  -2.675   4.590  11.377
  340    HA   ASN  47           HA       ASN  47  -3.749   7.054  10.045
  341   1HB   ASN  47           HB2      ASN  47  -1.971   4.845   8.962
  342   2HB   ASN  47           HB1      ASN  47  -2.686   6.117   7.970
  343   1HD2  ASN  47          1HD2      ASN  47   0.211   5.686   8.458
  344   2HD2  ASN  47          2HD2      ASN  47   0.782   7.105   9.194
  345    H    THR  48           HN       THR  48  -5.179   6.394   8.110
  346    HA   THR  48           HA       THR  48  -6.476   3.733   8.463
  347    HB   THR  48           HB       THR  48  -8.692   5.021   8.474
  348    HG1  THR  48           HG1      THR  48  -8.127   7.215   9.486
  349   1HG2  THR  48          3HG2      THR  48  -7.400   4.026  10.491
  350   2HG2  THR  48          2HG2      THR  48  -6.981   5.700  10.858
  351   3HG2  THR  48          1HG2      THR  48  -8.673   5.201  10.821
  352    H    ALA  49           HN       ALA  49  -6.242   6.763   6.600
  353    HA   ALA  49           HA       ALA  49  -6.627   5.184   4.105
  354   1HB   ALA  49           HB1      ALA  49  -8.809   6.142   5.103
  355   2HB   ALA  49           HB3      ALA  49  -8.172   7.724   4.652
  356   3HB   ALA  49           HB2      ALA  49  -8.477   6.509   3.410
  357    H    CYS  50           HN       CYS  50  -5.307   5.956   2.475
  358    HA   CYS  50           HA       CYS  50  -3.215   7.776   2.882
  359   1HB   CYS  50           HB2      CYS  50  -3.200   6.356   0.961
  360   2HB   CYS  50           HB1      CYS  50  -4.776   6.932   0.424
  361    HG   CYS  50           HG       CYS  50  -3.667   9.209  -0.237
  362    H    GLN  51           HN       GLN  51  -2.973  10.047   2.433
  363    HA   GLN  51           HA       GLN  51  -5.518  11.577   2.598
  364   1HB   GLN  51           HB2      GLN  51  -3.914  13.425   3.184
  365   2HB   GLN  51           HB1      GLN  51  -3.785  12.022   4.245
  366   1HG   GLN  51           HG2      GLN  51  -2.069  11.616   1.984
  367   2HG   GLN  51           HG1      GLN  51  -1.735  13.208   2.666
  368   1HE2  GLN  51          1HE2      GLN  51  -0.493  10.247   2.867
  369   2HE2  GLN  51          2HE2      GLN  51  -0.112  10.152   4.519
  370    H    ILE  52           HN       ILE  52  -2.838  10.974   0.403
  371    HA   ILE  52           HA       ILE  52  -2.982  13.225  -1.293
  372    HB   ILE  52           HB       ILE  52  -2.389  10.292  -1.713
  373   1HG1  ILE  52          2HG1      ILE  52  -0.617  12.752  -1.811
  374   2HG1  ILE  52          1HG1      ILE  52  -0.857  11.778  -0.361
  375   1HG2  ILE  52          3HG2      ILE  52  -2.788  12.416  -3.721
  376   2HG2  ILE  52          2HG2      ILE  52  -1.257  11.553  -3.867
  377   3HG2  ILE  52          1HG2      ILE  52  -2.779  10.664  -3.923
  378   1HD1  ILE  52          2HD1      ILE  52  -0.258   9.930  -2.390
  379   2HD1  ILE  52          1HD1      ILE  52   0.865  11.267  -2.638
  380   3HD1  ILE  52          3HD1      ILE  52   0.807  10.442  -1.080
  381    H    CYS  53           HN       CYS  53  -4.746  10.114  -1.714
  382    HA   CYS  53           HA       CYS  53  -6.710  11.603  -3.419
  383   1HB   CYS  53           HB2      CYS  53  -7.185   9.299  -4.308
  384   2HB   CYS  53           HB1      CYS  53  -5.515   9.811  -4.551
  385    HG   CYS  53           HG       CYS  53  -5.719   7.337  -3.463
  386    H    GLY  54           HN       GLY  54  -6.297   9.901  -0.439
  387   1HA   GLY  54           HA1      GLY  54  -9.111  10.397   0.234
  388   2HA   GLY  54           HA2      GLY  54  -7.866   9.832   1.343
  389    H    VAL  55           HN       VAL  55  -7.018   7.542  -0.230
  390    HA   VAL  55           HA       VAL  55  -9.519   5.912  -0.365
  391    HB   VAL  55           HB       VAL  55  -6.681   5.310  -1.264
  392   1HG1  VAL  55          3HG1      VAL  55  -8.185   3.345  -0.858
  393   2HG1  VAL  55          2HG1      VAL  55  -9.331   4.028  -2.011
  394   3HG1  VAL  55          1HG1      VAL  55  -7.731   3.521  -2.553
  395   1HG2  VAL  55          2HG2      VAL  55  -8.034   7.298  -2.330
  396   2HG2  VAL  55          1HG2      VAL  55  -7.236   6.133  -3.386
  397   3HG2  VAL  55          3HG2      VAL  55  -8.969   6.009  -3.088
  398    H    VAL  56           HN       VAL  56  -9.967   4.666   1.395
  399    HA   VAL  56           HA       VAL  56  -8.301   4.477   3.692
  400    HB   VAL  56           HB       VAL  56 -10.489   2.567   2.858
  401   1HG1  VAL  56          3HG1      VAL  56  -9.052   3.278   5.343
  402   2HG1  VAL  56          2HG1      VAL  56 -10.804   3.146   5.504
  403   3HG1  VAL  56          1HG1      VAL  56  -9.867   1.776   4.906
  404   1HG2  VAL  56          3HG2      VAL  56 -10.550   5.459   3.621
  405   2HG2  VAL  56          2HG2      VAL  56 -11.606   4.569   2.524
  406   3HG2  VAL  56          1HG2      VAL  56 -11.814   4.414   4.268
  407    H    TYR  57           HN       TYR  57  -7.257   2.616   4.609
  408    HA   TYR  57           HA       TYR  57  -5.692   1.076   2.688
  409   1HB   TYR  57           HB2      TYR  57  -5.878   0.926   5.707
  410   2HB   TYR  57           HB1      TYR  57  -4.534   0.370   4.707
  411    HD1  TYR  57           HD1      TYR  57  -4.628   2.580   6.981
  412    HD2  TYR  57           HD2      TYR  57  -4.694   2.680   2.690
  413    HE1  TYR  57           HE1      TYR  57  -3.655   4.858   7.018
  414    HE2  TYR  57           HE2      TYR  57  -3.725   4.952   2.722
  415    HH   TYR  57           HH       TYR  57  -2.519   6.418   4.122
  416    H    ASN  58           HN       ASN  58  -7.987   0.248   5.293
  417    HA   ASN  58           HA       ASN  58  -9.294  -1.695   5.627
  418   1HB   ASN  58           HB2      ASN  58  -9.715  -0.675   3.139
  419   2HB   ASN  58           HB1      ASN  58  -9.192  -2.307   2.725
  420   1HD2  ASN  58          1HD2      ASN  58 -10.301  -4.007   4.433
  421   2HD2  ASN  58          2HD2      ASN  58 -11.979  -3.804   4.588
  422    H    THR  59           HN       THR  59  -7.429  -2.802   6.645
  423    HA   THR  59           HA       THR  59  -5.975  -4.715   4.871
  424    HB   THR  59           HB       THR  59  -4.363  -4.766   6.644
  425    HG1  THR  59           HG1      THR  59  -4.982  -3.570   8.634
  426   1HG2  THR  59          2HG2      THR  59  -5.261  -2.331   5.516
  427   2HG2  THR  59          1HG2      THR  59  -4.892  -1.994   7.208
  428   3HG2  THR  59          3HG2      THR  59  -3.658  -2.690   6.158
  429    H    ARG  60           HN       ARG  60  -6.608  -6.832   4.885
  430    HA   ARG  60           HA       ARG  60  -7.989  -7.904   7.315
  431   1HB   ARG  60           HB2      ARG  60  -9.368  -7.114   5.159
  432   2HB   ARG  60           HB1      ARG  60  -8.895  -8.712   4.581
  433   1HG   ARG  60           HG2      ARG  60  -9.795  -9.680   6.719
  434   2HG   ARG  60           HG1      ARG  60 -10.409  -8.078   7.129
  435   1HD   ARG  60           HD2      ARG  60 -12.220  -8.390   5.807
  436   2HD   ARG  60           HD1      ARG  60 -11.184  -8.782   4.421
  437    HE   ARG  60           HE       ARG  60 -11.941 -10.790   6.515
  438   1HH1  ARG  60          1HH1      ARG  60 -13.347 -10.575   3.793
  439   2HH1  ARG  60          2HH1      ARG  60 -12.543 -11.832   2.914
  440   1HH2  ARG  60          1HH2      ARG  60  -9.930 -12.109   5.177
  441   2HH2  ARG  60          2HH2      ARG  60 -10.608 -12.701   3.697

  No H/Q in entry =         441
  Start of MODEL   20
    1    H1   MET   1           HT1      MET   1  12.072 -26.359   3.600
    2    H2   MET   1           HT3      MET   1  12.776 -25.536   4.904
    3    H3   MET   1           HT2      MET   1  12.507 -27.210   5.005
    4    HA   MET   1           HA       MET   1  10.211 -26.972   5.236
    5   1HB   MET   1           HB2      MET   1  10.119 -25.604   7.199
    6   2HB   MET   1           HB1      MET   1  11.783 -26.180   7.105
    7   1HG   MET   1           HG2      MET   1  12.054 -23.936   5.657
    8   2HG   MET   1           HG1      MET   1  10.700 -23.437   6.670
    9   1HE   MET   1           HE3      MET   1  10.635 -22.774   8.654
   10   2HE   MET   1           HE2      MET   1  11.880 -22.639   9.893
   11   3HE   MET   1           HE1      MET   1  11.945 -21.600   8.471
   12    H    GLU   2           HN       GLU   2   8.633 -24.797   5.758
   13    HA   GLU   2           HA       GLU   2   8.051 -23.760   3.110
   14   1HB   GLU   2           HB2      GLU   2   6.993 -23.548   5.902
   15   2HB   GLU   2           HB1      GLU   2   6.456 -22.351   4.723
   16   1HG   GLU   2           HG2      GLU   2   6.324 -24.822   3.385
   17   2HG   GLU   2           HG1      GLU   2   5.663 -25.124   4.992
   18    H    ASP   3           HN       ASP   3   7.483 -21.176   3.224
   19    HA   ASP   3           HA       ASP   3  10.085 -19.859   3.884
   20   1HB   ASP   3           HB2      ASP   3   8.028 -19.694   1.772
   21   2HB   ASP   3           HB1      ASP   3   8.629 -18.128   2.319
   22    H    GLU   4           HN       GLU   4   9.908 -17.588   4.723
   23    HA   GLU   4           HA       GLU   4   8.322 -17.363   7.053
   24   1HB   GLU   4           HB2      GLU   4   9.060 -15.021   6.994
   25   2HB   GLU   4           HB1      GLU   4  10.376 -16.077   6.484
   26   1HG   GLU   4           HG2      GLU   4  10.008 -15.564   4.170
   27   2HG   GLU   4           HG1      GLU   4   8.487 -14.746   4.530
   28    H    ASP   5           HN       ASP   5   7.013 -14.914   6.970
   29    HA   ASP   5           HA       ASP   5   4.582 -15.619   5.428
   30   1HB   ASP   5           HB2      ASP   5   4.641 -14.996   7.880
   31   2HB   ASP   5           HB1      ASP   5   5.105 -13.366   7.389
   32    H    VAL   6           HN       VAL   6   3.604 -14.150   3.933
   33    HA   VAL   6           HA       VAL   6   5.372 -11.915   2.989
   34    HB   VAL   6           HB       VAL   6   3.564 -13.615   1.259
   35   1HG1  VAL   6          1HG1      VAL   6   4.782 -11.294   0.676
   36   2HG1  VAL   6          3HG1      VAL   6   6.128 -12.388   0.352
   37   3HG1  VAL   6          2HG1      VAL   6   4.606 -12.581  -0.518
   38   1HG2  VAL   6          1HG2      VAL   6   6.087 -14.332   2.559
   39   2HG2  VAL   6          3HG2      VAL   6   4.948 -15.357   1.685
   40   3HG2  VAL   6          2HG2      VAL   6   6.179 -14.453   0.802
   41    HA   PRO   7           HA       PRO   7   1.657  -9.615   3.765
   42   1HB   PRO   7           HB2      PRO   7   2.551  -7.220   2.818
   43   2HB   PRO   7           HB1      PRO   7   3.036  -7.879   4.392
   44   1HG   PRO   7           HG2      PRO   7   4.512  -7.839   1.818
   45   2HG   PRO   7           HG1      PRO   7   5.118  -7.647   3.470
   46   1HD   PRO   7           HD2      PRO   7   5.329  -9.960   2.010
   47   2HD   PRO   7           HD1      PRO   7   5.327  -9.897   3.785
   48    H    VAL   8           HN       VAL   8   0.044  -8.416   2.501
   49    HA   VAL   8           HA       VAL   8   0.258  -8.787  -0.467
   50    HB   VAL   8           HB       VAL   8  -2.213  -9.250   1.218
   51   1HG1  VAL   8          1HG1      VAL   8  -2.365  -8.795  -1.286
   52   2HG1  VAL   8          3HG1      VAL   8  -1.490 -10.308  -1.525
   53   3HG1  VAL   8          2HG1      VAL   8  -3.073 -10.319  -0.747
   54   1HG2  VAL   8          1HG2      VAL   8   0.171 -10.920   0.859
   55   2HG2  VAL   8          3HG2      VAL   8  -1.166 -11.106   1.994
   56   3HG2  VAL   8          2HG2      VAL   8  -1.310 -11.731   0.351
   57    H    CYS   9           HN       CYS   9  -0.611  -7.070  -1.674
   58    HA   CYS   9           HA       CYS   9  -0.985  -4.523  -0.411
   59   1HB   CYS   9           HB2      CYS   9  -0.219  -4.734  -2.695
   60   2HB   CYS   9           HB1      CYS   9  -1.681  -5.607  -3.155
   61    H    TRP  10           HN       TRP  10  -2.749  -3.839   0.664
   62    HA   TRP  10           HA       TRP  10  -5.192  -5.320   0.901
   63   1HB   TRP  10           HB2      TRP  10  -5.866  -3.314   2.189
   64   2HB   TRP  10           HB1      TRP  10  -4.227  -3.817   2.597
   65    HD1  TRP  10           HD1      TRP  10  -2.201  -2.322   1.692
   66    HE1  TRP  10           HE1      TRP  10  -2.111   0.124   0.877
   67    HE3  TRP  10           HE3      TRP  10  -7.182  -1.444   0.951
   68    HZ2  TRP  10           HZ2      TRP  10  -3.908   2.178   0.024
   69    HZ3  TRP  10           HZ3      TRP  10  -7.961   0.762   0.136
   70    HH2  TRP  10           HH2      TRP  10  -6.333   2.573  -0.327
   71    H    ILE  11           HN       ILE  11  -4.179  -2.984  -1.477
   72    HA   ILE  11           HA       ILE  11  -6.876  -2.066  -2.140
   73    HB   ILE  11           HB       ILE  11  -4.315  -1.884  -3.747
   74   1HG1  ILE  11          2HG1      ILE  11  -5.320  -0.269  -1.390
   75   2HG1  ILE  11          1HG1      ILE  11  -3.757  -1.067  -1.567
   76   1HG2  ILE  11          2HG2      ILE  11  -6.819  -0.176  -3.593
   77   2HG2  ILE  11          1HG2      ILE  11  -5.382   0.234  -4.530
   78   3HG2  ILE  11          3HG2      ILE  11  -6.330  -1.193  -4.948
   79   1HD1  ILE  11          3HD1      ILE  11  -3.221   0.473  -3.452
   80   2HD1  ILE  11          2HD1      ILE  11  -4.748   1.308  -3.172
   81   3HD1  ILE  11          1HD1      ILE  11  -3.489   1.335  -1.937
   82    H    CYS  12           HN       CYS  12  -4.477  -4.017  -3.991
   83    HA   CYS  12           HA       CYS  12  -6.728  -5.058  -5.644
   84   1HB   CYS  12           HB2      CYS  12  -4.851  -5.796  -7.106
   85   2HB   CYS  12           HB1      CYS  12  -4.770  -4.071  -6.748
   86    H    ASN  13           HN       ASN  13  -5.031  -5.948  -2.891
   87    HA   ASN  13           HA       ASN  13  -4.943  -7.993  -1.708
   88   1HB   ASN  13           HB2      ASN  13  -7.294  -7.907  -3.111
   89   2HB   ASN  13           HB1      ASN  13  -6.586  -9.403  -3.720
   90   1HD2  ASN  13          1HD2      ASN  13  -5.114  -9.952  -1.178
   91   2HD2  ASN  13          2HD2      ASN  13  -6.291 -10.442  -0.058
   92    H    GLU  14           HN       GLU  14  -2.722  -7.603  -3.220
   93    HA   GLU  14           HA       GLU  14  -2.204 -10.314  -4.387
   94   1HB   GLU  14           HB2      GLU  14  -2.556  -8.716  -6.199
   95   2HB   GLU  14           HB1      GLU  14  -1.425  -7.582  -5.462
   96   1HG   GLU  14           HG2      GLU  14  -0.095  -8.632  -7.079
   97   2HG   GLU  14           HG1      GLU  14   0.276  -9.562  -5.627
   98    H    GLU  15           HN       GLU  15  -0.294 -11.209  -3.638
   99    HA   GLU  15           HA       GLU  15   1.097 -10.106  -1.411
  100   1HB   GLU  15           HB2      GLU  15   1.058 -12.452  -3.044
  101   2HB   GLU  15           HB1      GLU  15   2.738 -11.944  -2.867
  102   1HG   GLU  15           HG2      GLU  15   2.653 -12.077  -0.508
  103   2HG   GLU  15           HG1      GLU  15   0.889 -12.083  -0.487
  104    H    LEU  16           HN       LEU  16   2.928  -8.846  -1.253
  105    HA   LEU  16           HA       LEU  16   4.251  -8.023  -3.817
  106   1HB   LEU  16           HB2      LEU  16   4.651  -5.832  -2.488
  107   2HB   LEU  16           HB1      LEU  16   3.024  -6.134  -3.084
  108    HG   LEU  16           HG       LEU  16   3.858  -6.965  -0.304
  109   1HD1  LEU  16          3HD1      LEU  16   3.595  -4.288  -1.331
  110   2HD1  LEU  16          2HD1      LEU  16   2.273  -4.615  -0.211
  111   3HD1  LEU  16          1HD1      LEU  16   3.945  -4.804   0.319
  112   1HD2  LEU  16          1HD2      LEU  16   1.466  -7.117  -1.912
  113   2HD2  LEU  16          3HD2      LEU  16   1.750  -7.753  -0.292
  114   3HD2  LEU  16          2HD2      LEU  16   1.166  -6.102  -0.499
  115    H    GLY  17           HN       GLY  17   4.588  -9.031  -0.498
  116   1HA   GLY  17           HA1      GLY  17   7.385  -9.736  -0.952
  117   2HA   GLY  17           HA2      GLY  17   6.446 -10.090   0.494
  118    H    ASN  18           HN       ASN  18   6.761  -6.821  -0.830
  119    HA   ASN  18           HA       ASN  18   7.321  -5.457   1.510
  120   1HB   ASN  18           HB2      ASN  18   9.528  -7.197   0.683
  121   2HB   ASN  18           HB1      ASN  18  10.036  -5.521   0.893
  122   1HD2  ASN  18          1HD2      ASN  18   8.315  -4.717   3.000
  123   2HD2  ASN  18          2HD2      ASN  18   8.683  -5.619   4.390
  124    H    GLU  19           HN       GLU  19   6.210  -4.699  -0.928
  125    HA   GLU  19           HA       GLU  19   7.950  -3.379  -2.761
  126   1HB   GLU  19           HB2      GLU  19   5.142  -3.598  -2.134
  127   2HB   GLU  19           HB1      GLU  19   5.530  -1.916  -2.494
  128   1HG   GLU  19           HG2      GLU  19   6.835  -3.783  -4.329
  129   2HG   GLU  19           HG1      GLU  19   5.076  -3.903  -4.376
  130    H    ARG  20           HN       ARG  20   9.454  -1.853  -2.114
  131    HA   ARG  20           HA       ARG  20   9.313  -0.337   0.305
  132   1HB   ARG  20           HB2      ARG  20  11.179  -0.900  -1.568
  133   2HB   ARG  20           HB1      ARG  20  10.765   0.741  -2.064
  134   1HG   ARG  20           HG2      ARG  20  12.173   1.451  -0.448
  135   2HG   ARG  20           HG1      ARG  20  10.954   0.917   0.710
  136   1HD   ARG  20           HD2      ARG  20  12.354  -1.419  -0.075
  137   2HD   ARG  20           HD1      ARG  20  13.582  -0.182   0.259
  138    HE   ARG  20           HE       ARG  20  12.826  -0.083   2.516
  139   1HH1  ARG  20          1HH1      ARG  20  12.170  -3.046   1.781
  140   2HH1  ARG  20          2HH1      ARG  20  10.607  -3.192   2.513
  141   1HH2  ARG  20          1HH2      ARG  20  10.182   0.227   2.913
  142   2HH2  ARG  20          2HH2      ARG  20   9.480  -1.339   3.154
  143    H    PHE  21           HN       PHE  21   7.312   0.765   0.471
  144    HA   PHE  21           HA       PHE  21   7.086   3.192  -1.218
  145   1HB   PHE  21           HB2      PHE  21   5.812   1.539  -2.429
  146   2HB   PHE  21           HB1      PHE  21   5.029   0.982  -0.951
  147    HD1  PHE  21           HD1      PHE  21   5.612   4.554  -1.269
  148    HD2  PHE  21           HD2      PHE  21   2.830   1.389  -2.095
  149    HE1  PHE  21           HE1      PHE  21   3.811   6.225  -1.604
  150    HE2  PHE  21           HE2      PHE  21   1.029   3.059  -2.428
  151    HZ   PHE  21           HZ       PHE  21   1.517   5.478  -2.178
  152    H    ARG  22           HN       ARG  22   7.276   4.598   0.556
  153    HA   ARG  22           HA       ARG  22   5.955   4.069   3.104
  154   1HB   ARG  22           HB2      ARG  22   8.076   5.559   2.222
  155   2HB   ARG  22           HB1      ARG  22   6.846   6.807   2.423
  156   1HG   ARG  22           HG2      ARG  22   7.746   4.813   4.522
  157   2HG   ARG  22           HG1      ARG  22   8.062   6.548   4.521
  158   1HD   ARG  22           HD2      ARG  22   5.673   7.029   4.738
  159   2HD   ARG  22           HD1      ARG  22   5.291   5.300   4.626
  160    HE   ARG  22           HE       ARG  22   6.162   4.996   6.827
  161   1HH1  ARG  22          1HH1      ARG  22   5.251   8.077   6.639
  162   2HH1  ARG  22          2HH1      ARG  22   6.475   8.756   7.659
  163   1HH2  ARG  22          1HH2      ARG  22   8.419   5.886   7.689
  164   2HH2  ARG  22          2HH2      ARG  22   8.269   7.516   8.253
  165    H    ALA  23           HN       ALA  23   3.690   3.890   2.499
  166    HA   ALA  23           HA       ALA  23   2.449   6.510   1.732
  167   1HB   ALA  23           HB3      ALA  23   2.499   4.149   0.305
  168   2HB   ALA  23           HB2      ALA  23   0.952   4.047   1.147
  169   3HB   ALA  23           HB1      ALA  23   1.298   5.424   0.100
  170    H    CYS  24           HN       CYS  24   2.646   4.023   4.071
  171    HA   CYS  24           HA       CYS  24   0.905   5.282   5.920
  172   1HB   CYS  24           HB2      CYS  24  -0.955   4.889   4.586
  173   2HB   CYS  24           HB1      CYS  24  -0.313   3.382   3.944
  174    H    GLY  25           HN       GLY  25   0.353   3.797   7.762
  175   1HA   GLY  25           HA1      GLY  25   2.411   2.512   8.946
  176   2HA   GLY  25           HA2      GLY  25   1.835   1.247   7.858
  177    H    CYS  26           HN       CYS  26  -0.892   1.548   7.978
  178    HA   CYS  26           HA       CYS  26  -2.118   2.026  10.463
  179   1HB   CYS  26           HB2      CYS  26  -2.630   0.248   8.095
  180   2HB   CYS  26           HB1      CYS  26  -3.683   0.122   9.505
  181    H    THR  27           HN       THR  27  -2.482  -1.320   9.729
  182    HA   THR  27           HA       THR  27  -0.799  -2.041  12.102
  183    HB   THR  27           HB       THR  27  -3.584  -2.916  11.288
  184    HG1  THR  27           HG1      THR  27  -3.880  -2.147  13.536
  185   1HG2  THR  27          1HG2      THR  27  -1.533  -4.242  12.924
  186   2HG2  THR  27          3HG2      THR  27  -3.078  -4.035  13.749
  187   3HG2  THR  27          2HG2      THR  27  -3.007  -4.903  12.214
  188    H    GLY  28           HN       GLY  28  -1.640  -2.705   8.812
  189   1HA   GLY  28           HA1      GLY  28  -0.838  -5.496   8.812
  190   2HA   GLY  28           HA2      GLY  28   0.462  -4.437   8.270
  191    H    GLU  29           HN       GLU  29  -3.065  -4.809   7.686
  192    HA   GLU  29           HA       GLU  29  -2.977  -5.525   4.995
  193   1HB   GLU  29           HB2      GLU  29  -5.254  -4.738   4.928
  194   2HB   GLU  29           HB1      GLU  29  -4.956  -5.301   6.572
  195   1HG   GLU  29           HG2      GLU  29  -4.441  -2.946   7.237
  196   2HG   GLU  29           HG1      GLU  29  -4.890  -2.426   5.612
  197    H    LEU  30           HN       LEU  30  -2.976  -2.177   6.292
  198    HA   LEU  30           HA       LEU  30  -2.625  -1.055   3.594
  199   1HB   LEU  30           HB2      LEU  30  -3.835  -0.192   5.833
  200   2HB   LEU  30           HB1      LEU  30  -2.245   0.520   6.103
  201    HG   LEU  30           HG       LEU  30  -3.584   2.145   4.917
  202   1HD1  LEU  30          3HD1      LEU  30  -1.140   1.480   4.144
  203   2HD1  LEU  30          2HD1      LEU  30  -1.978   0.982   2.675
  204   3HD1  LEU  30          1HD1      LEU  30  -2.084   2.654   3.228
  205   1HD2  LEU  30          2HD2      LEU  30  -4.177  -0.179   3.076
  206   2HD2  LEU  30          1HD2      LEU  30  -5.323   0.832   3.955
  207   3HD2  LEU  30          3HD2      LEU  30  -4.434   1.495   2.582
  208    H    GLU  31           HN       GLU  31  -0.663  -2.004   6.311
  209    HA   GLU  31           HA       GLU  31   1.660  -0.471   6.033
  210   1HB   GLU  31           HB2      GLU  31   0.806  -3.001   7.135
  211   2HB   GLU  31           HB1      GLU  31   2.433  -3.157   6.474
  212   1HG   GLU  31           HG2      GLU  31   1.979  -0.672   7.994
  213   2HG   GLU  31           HG1      GLU  31   1.862  -2.144   8.960
  214    H    ASN  32           HN       ASN  32   0.909  -3.531   4.281
  215    HA   ASN  32           HA       ASN  32   3.157  -2.914   2.411
  216   1HB   ASN  32           HB2      ASN  32   1.479  -5.421   2.612
  217   2HB   ASN  32           HB1      ASN  32   3.102  -5.254   1.949
  218   1HD2  ASN  32          1HD2      ASN  32   1.363  -6.076   4.770
  219   2HD2  ASN  32          2HD2      ASN  32   2.656  -6.023   5.870
  220    H    VAL  33           HN       VAL  33   2.572  -1.931   0.520
  221    HA   VAL  33           HA       VAL  33   0.162  -2.884  -0.911
  222    HB   VAL  33           HB       VAL  33  -0.808  -1.172   0.412
  223   1HG1  VAL  33          3HG1      VAL  33   1.824   0.194  -0.047
  224   2HG1  VAL  33          2HG1      VAL  33   0.402   1.171   0.318
  225   3HG1  VAL  33          1HG1      VAL  33   0.945  -0.055   1.462
  226   1HG2  VAL  33          1HG2      VAL  33  -0.680  -0.946  -2.315
  227   2HG2  VAL  33          3HG2      VAL  33  -1.710   0.048  -1.284
  228   3HG2  VAL  33          2HG2      VAL  33  -0.137   0.653  -1.805
  229    H    HIS  34           HN       HIS  34   0.516  -2.813  -3.149
  230    HA   HIS  34           HA       HIS  34   3.110  -2.118  -4.197
  231   1HB   HIS  34           HB2      HIS  34   0.429  -2.304  -5.596
  232   2HB   HIS  34           HB1      HIS  34   1.996  -2.400  -6.379
  233    HD2  HIS  34           HD2      HIS  34   3.523  -4.803  -5.544
  234    HE1  HIS  34           HE1      HIS  34   0.000  -6.893  -4.487
  235    HE2  HIS  34           HE2      HIS  34   2.466  -7.098  -4.960
  236    H    ARG  35           HN       ARG  35   3.891  -0.055  -4.580
  237    HA   ARG  35           HA       ARG  35   2.329   2.318  -4.207
  238   1HB   ARG  35           HB2      ARG  35   4.777   2.211  -4.007
  239   2HB   ARG  35           HB1      ARG  35   4.912   1.809  -5.720
  240   1HG   ARG  35           HG2      ARG  35   3.847   3.971  -6.300
  241   2HG   ARG  35           HG1      ARG  35   3.777   4.382  -4.586
  242   1HD   ARG  35           HD2      ARG  35   5.778   5.420  -5.202
  243   2HD   ARG  35           HD1      ARG  35   6.383   3.827  -4.704
  244    HE   ARG  35           HE       ARG  35   6.391   3.159  -7.078
  245   1HH1  ARG  35          1HH1      ARG  35   4.869   6.164  -6.855
  246   2HH1  ARG  35          2HH1      ARG  35   5.667   6.855  -8.229
  247   1HH2  ARG  35          1HH2      ARG  35   7.827   4.177  -8.657
  248   2HH2  ARG  35          2HH2      ARG  35   7.341   5.731  -9.249
  249    H    SER  36           HN       SER  36   2.546   0.118  -6.817
  250    HA   SER  36           HA       SER  36   2.022   1.881  -9.034
  251   1HB   SER  36           HB2      SER  36   1.287  -0.359 -10.042
  252   2HB   SER  36           HB1      SER  36   2.926  -0.300  -9.401
  253    HG   SER  36           HG       SER  36   2.182  -2.024  -8.389
  254    H    CYS  37           HN       CYS  37  -0.203  -0.368  -7.306
  255    HA   CYS  37           HA       CYS  37  -2.523   0.885  -8.576
  256   1HB   CYS  37           HB2      CYS  37  -3.745  -0.752  -7.105
  257   2HB   CYS  37           HB1      CYS  37  -2.521  -1.483  -8.133
  258    HG   CYS  37           HG       CYS  37  -2.381  -1.251  -5.061
  259    H    LEU  38           HN       LEU  38  -0.934   1.173  -5.401
  260    HA   LEU  38           HA       LEU  38  -3.170   2.574  -4.170
  261   1HB   LEU  38           HB2      LEU  38  -1.611   1.508  -2.734
  262   2HB   LEU  38           HB1      LEU  38  -0.230   2.227  -3.562
  263    HG   LEU  38           HG       LEU  38  -0.672   4.384  -2.652
  264   1HD1  LEU  38          3HD1      LEU  38  -3.378   3.213  -2.025
  265   2HD1  LEU  38          2HD1      LEU  38  -2.790   4.632  -1.159
  266   3HD1  LEU  38          1HD1      LEU  38  -2.990   4.688  -2.910
  267   1HD2  LEU  38          3HD2      LEU  38   0.007   2.358  -1.044
  268   2HD2  LEU  38          2HD2      LEU  38  -0.245   3.988  -0.419
  269   3HD2  LEU  38          1HD2      LEU  38  -1.525   2.781  -0.280
  270    H    SER  39           HN       SER  39   0.046   3.771  -5.222
  271    HA   SER  39           HA       SER  39  -0.420   6.522  -4.985
  272   1HB   SER  39           HB2      SER  39   1.706   5.283  -5.559
  273   2HB   SER  39           HB1      SER  39   1.094   5.106  -7.201
  274    HG   SER  39           HG       SER  39   2.255   6.949  -7.248
  275    H    THR  40           HN       THR  40  -1.366   4.329  -7.622
  276    HA   THR  40           HA       THR  40  -2.404   6.536  -9.261
  277    HB   THR  40           HB       THR  40  -1.325   4.208  -9.895
  278    HG1  THR  40           HG1      THR  40  -2.363   5.908 -11.242
  279   1HG2  THR  40          2HG2      THR  40  -2.979   2.843  -8.673
  280   2HG2  THR  40          1HG2      THR  40  -4.269   3.512  -9.672
  281   3HG2  THR  40          3HG2      THR  40  -3.026   2.496 -10.402
  282    H    TRP  41           HN       TRP  41  -3.684   4.081  -7.054
  283    HA   TRP  41           HA       TRP  41  -6.465   4.402  -7.700
  284   1HB   TRP  41           HB2      TRP  41  -5.882   2.495  -6.463
  285   2HB   TRP  41           HB1      TRP  41  -4.820   3.397  -5.385
  286    HD1  TRP  41           HD1      TRP  41  -8.541   2.756  -6.080
  287    HE1  TRP  41           HE1      TRP  41  -9.882   3.288  -3.944
  288    HE3  TRP  41           HE3      TRP  41  -4.824   4.690  -3.157
  289    HZ2  TRP  41           HZ2      TRP  41  -9.439   4.388  -1.341
  290    HZ3  TRP  41           HZ3      TRP  41  -5.311   5.469  -0.855
  291    HH2  TRP  41           HH2      TRP  41  -7.612   5.321   0.055
  292    H    LEU  42           HN       LEU  42  -4.606   5.725  -4.921
  293    HA   LEU  42           HA       LEU  42  -6.583   7.478  -3.935
  294   1HB   LEU  42           HB2      LEU  42  -4.557   8.749  -3.074
  295   2HB   LEU  42           HB1      LEU  42  -4.555   7.024  -2.717
  296    HG   LEU  42           HG       LEU  42  -3.271   6.946  -5.073
  297   1HD1  LEU  42          2HD1      LEU  42  -3.455   9.708  -4.568
  298   2HD1  LEU  42          1HD1      LEU  42  -1.790   9.262  -4.190
  299   3HD1  LEU  42          3HD1      LEU  42  -2.455   8.913  -5.785
  300   1HD2  LEU  42          1HD2      LEU  42  -2.593   6.839  -2.312
  301   2HD2  LEU  42          3HD2      LEU  42  -1.715   6.123  -3.664
  302   3HD2  LEU  42          2HD2      LEU  42  -1.324   7.756  -3.124
  303    H    THR  43           HN       THR  43  -4.403   7.850  -6.691
  304    HA   THR  43           HA       THR  43  -4.758  10.660  -7.134
  305    HB   THR  43           HB       THR  43  -4.055   8.242  -8.796
  306    HG1  THR  43           HG1      THR  43  -2.349   8.901  -7.685
  307   1HG2  THR  43          3HG2      THR  43  -4.582  11.054  -9.738
  308   2HG2  THR  43          2HG2      THR  43  -3.402  10.034 -10.561
  309   3HG2  THR  43          1HG2      THR  43  -5.089   9.531 -10.468
  310    H    ILE  44           HN       ILE  44  -6.524   7.805  -8.349
  311    HA   ILE  44           HA       ILE  44  -8.457   9.371  -9.864
  312    HB   ILE  44           HB       ILE  44  -8.430   6.504  -8.858
  313   1HG1  ILE  44          2HG1      ILE  44  -7.897   7.295 -11.692
  314   2HG1  ILE  44          1HG1      ILE  44  -6.609   7.544 -10.512
  315   1HG2  ILE  44          2HG2      ILE  44 -10.424   8.068 -10.272
  316   2HG2  ILE  44          1HG2      ILE  44  -9.871   6.714 -11.258
  317   3HG2  ILE  44          3HG2      ILE  44 -10.537   6.421  -9.652
  318   1HD1  ILE  44          1HD1      ILE  44  -8.038   4.914 -10.521
  319   2HD1  ILE  44          3HD1      ILE  44  -6.849   5.226 -11.785
  320   3HD1  ILE  44          2HD1      ILE  44  -6.368   5.278 -10.090
  321    H    SER  45           HN       SER  45  -8.399   7.774  -6.683
  322    HA   SER  45           HA       SER  45 -11.159   8.480  -6.033
  323   1HB   SER  45           HB2      SER  45 -10.370   6.557  -4.962
  324   2HB   SER  45           HB1      SER  45  -8.768   7.240  -4.703
  325    HG   SER  45           HG       SER  45 -10.021   7.150  -2.777
  326    H    ARG  46           HN       ARG  46  -8.230  10.189  -6.117
  327    HA   ARG  46           HA       ARG  46  -7.742  12.412  -5.464
  328   1HB   ARG  46           HB2      ARG  46 -10.462  12.272  -5.717
  329   2HB   ARG  46           HB1      ARG  46 -10.304  12.746  -4.025
  330   1HG   ARG  46           HG2      ARG  46  -9.444  14.799  -4.538
  331   2HG   ARG  46           HG1      ARG  46  -8.546  14.187  -5.928
  332   1HD   ARG  46           HD2      ARG  46 -10.930  13.876  -6.997
  333   2HD   ARG  46           HD1      ARG  46 -11.419  15.071  -5.780
  334    HE   ARG  46           HE       ARG  46  -9.250  16.310  -6.746
  335   1HH1  ARG  46          1HH1      ARG  46 -11.895  17.111  -7.857
  336   2HH1  ARG  46          2HH1      ARG  46 -11.672  16.873  -9.558
  337   1HH2  ARG  46          1HH2      ARG  46  -8.855  14.887  -9.183
  338   2HH2  ARG  46          2HH2      ARG  46  -9.952  15.614 -10.309
  339    H    ASN  47           HN       ASN  47  -6.526  10.663  -3.901
  340    HA   ASN  47           HA       ASN  47  -7.042  11.643  -1.117
  341   1HB   ASN  47           HB2      ASN  47  -6.531   8.831  -2.134
  342   2HB   ASN  47           HB1      ASN  47  -6.426   9.269  -0.428
  343   1HD2  ASN  47          1HD2      ASN  47  -8.317   7.551  -0.458
  344   2HD2  ASN  47          2HD2      ASN  47  -9.882   8.176  -0.659
  345    H    THR  48           HN       THR  48  -5.136  12.128   0.027
  346    HA   THR  48           HA       THR  48  -2.565  11.671  -1.456
  347    HB   THR  48           HB       THR  48  -1.869  13.829  -0.580
  348    HG1  THR  48           HG1      THR  48  -2.685  14.167   1.335
  349   1HG2  THR  48          1HG2      THR  48  -3.884  13.483  -2.414
  350   2HG2  THR  48          3HG2      THR  48  -4.616  14.618  -1.280
  351   3HG2  THR  48          2HG2      THR  48  -3.092  15.022  -2.071
  352    H    ALA  49           HN       ALA  49  -4.312  11.171   1.476
  353    HA   ALA  49           HA       ALA  49  -1.905   9.901   2.678
  354   1HB   ALA  49           HB2      ALA  49  -2.021  12.262   3.438
  355   2HB   ALA  49           HB1      ALA  49  -3.654  11.976   4.038
  356   3HB   ALA  49           HB3      ALA  49  -2.285  11.142   4.774
  357    H    CYS  50           HN       CYS  50  -2.441   8.094   3.906
  358    HA   CYS  50           HA       CYS  50  -4.971   6.831   3.594
  359   1HB   CYS  50           HB2      CYS  50  -2.778   5.761   4.129
  360   2HB   CYS  50           HB1      CYS  50  -2.864   6.454   5.748
  361    HG   CYS  50           HG       CYS  50  -3.913   3.908   5.463
  362    H    GLN  51           HN       GLN  51  -6.890   7.368   4.557
  363    HA   GLN  51           HA       GLN  51  -6.998   9.220   6.820
  364   1HB   GLN  51           HB2      GLN  51  -9.431   8.940   6.472
  365   2HB   GLN  51           HB1      GLN  51  -8.607   9.211   4.936
  366   1HG   GLN  51           HG2      GLN  51  -8.496   6.450   5.262
  367   2HG   GLN  51           HG1      GLN  51 -10.106   6.875   5.844
  368   1HE2  GLN  51          1HE2      GLN  51 -11.652   7.661   4.300
  369   2HE2  GLN  51          2HE2      GLN  51 -11.332   7.723   2.634
  370    H    ILE  52           HN       ILE  52  -6.464   5.914   6.588
  371    HA   ILE  52           HA       ILE  52  -8.067   5.021   8.864
  372    HB   ILE  52           HB       ILE  52  -5.672   3.781   7.462
  373   1HG1  ILE  52          2HG1      ILE  52  -7.422   4.329   5.845
  374   2HG1  ILE  52          1HG1      ILE  52  -7.417   2.588   6.126
  375   1HG2  ILE  52          3HG2      ILE  52  -7.869   2.676   9.231
  376   2HG2  ILE  52          2HG2      ILE  52  -6.836   1.656   8.230
  377   3HG2  ILE  52          1HG2      ILE  52  -6.131   2.628   9.521
  378   1HD1  ILE  52          1HD1      ILE  52  -9.179   3.190   7.995
  379   2HD1  ILE  52          3HD1      ILE  52  -9.405   4.645   7.026
  380   3HD1  ILE  52          2HD1      ILE  52  -9.688   3.058   6.312
  381    H    CYS  53           HN       CYS  53  -4.613   5.776   8.311
  382    HA   CYS  53           HA       CYS  53  -4.233   5.815  11.288
  383   1HB   CYS  53           HB2      CYS  53  -1.902   5.253  10.759
  384   2HB   CYS  53           HB1      CYS  53  -2.981   4.108   9.960
  385    HG   CYS  53           HG       CYS  53  -2.600   5.363   7.711
  386    H    GLY  54           HN       GLY  54  -4.169   7.663   8.369
  387   1HA   GLY  54           HA1      GLY  54  -3.377  10.056   9.910
  388   2HA   GLY  54           HA2      GLY  54  -4.085  10.055   8.297
  389    H    VAL  55           HN       VAL  55  -2.057   7.936   7.448
  390    HA   VAL  55           HA       VAL  55   0.459   9.536   7.532
  391    HB   VAL  55           HB       VAL  55  -0.202   6.732   6.565
  392   1HG1  VAL  55          1HG1      VAL  55   2.112   8.448   6.146
  393   2HG1  VAL  55          3HG1      VAL  55   2.550   6.983   7.024
  394   3HG1  VAL  55          2HG1      VAL  55   1.758   6.867   5.452
  395   1HG2  VAL  55          1HG2      VAL  55  -0.213   7.380   9.100
  396   2HG2  VAL  55          3HG2      VAL  55   0.700   5.956   8.595
  397   3HG2  VAL  55          2HG2      VAL  55   1.538   7.477   8.910
  398    H    VAL  56           HN       VAL  56   1.376  10.382   5.626
  399    HA   VAL  56           HA       VAL  56  -0.443  10.796   3.369
  400    HB   VAL  56           HB       VAL  56   2.477  11.527   3.752
  401   1HG1  VAL  56          3HG1      VAL  56   0.766  11.782   1.541
  402   2HG1  VAL  56          2HG1      VAL  56   0.785  13.381   2.286
  403   3HG1  VAL  56          1HG1      VAL  56   2.297  12.622   1.787
  404   1HG2  VAL  56          3HG2      VAL  56   0.054  12.443   5.078
  405   2HG2  VAL  56          2HG2      VAL  56   1.733  12.864   5.416
  406   3HG2  VAL  56          1HG2      VAL  56   0.829  13.758   4.194
  407    H    TYR  57           HN       TYR  57  -0.262   9.854   1.317
  408    HA   TYR  57           HA       TYR  57   0.955   7.287   1.047
  409   1HB   TYR  57           HB2      TYR  57   0.042   9.302  -1.023
  410   2HB   TYR  57           HB1      TYR  57   0.295   7.583  -1.321
  411    HD1  TYR  57           HD1      TYR  57  -2.298   9.619  -1.182
  412    HD2  TYR  57           HD2      TYR  57  -0.729   6.369   1.140
  413    HE1  TYR  57           HE1      TYR  57  -4.574   9.127  -0.335
  414    HE2  TYR  57           HE2      TYR  57  -3.001   5.874   1.988
  415    HH   TYR  57           HH       TYR  57  -5.277   6.241   1.468
  416    H    ASN  58           HN       ASN  58   2.002  10.499  -0.068
  417    HA   ASN  58           HA       ASN  58   4.087  11.213  -0.939
  418   1HB   ASN  58           HB2      ASN  58   4.433   9.409   1.347
  419   2HB   ASN  58           HB1      ASN  58   5.860   9.476   0.312
  420   1HD2  ASN  58          1HD2      ASN  58   3.654  12.231   0.568
  421   2HD2  ASN  58          2HD2      ASN  58   4.723  13.236   1.421
  422    H    THR  59           HN       THR  59   3.383  10.222  -3.080
  423    HA   THR  59           HA       THR  59   4.901   7.724  -3.735
  424    HB   THR  59           HB       THR  59   3.249   7.394  -5.428
  425    HG1  THR  59           HG1      THR  59   2.416  10.056  -4.916
  426   1HG2  THR  59          3HG2      THR  59   2.532   7.325  -2.909
  427   2HG2  THR  59          2HG2      THR  59   1.583   8.752  -3.329
  428   3HG2  THR  59          1HG2      THR  59   1.294   7.224  -4.161
  429    H    ARG  60           HN       ARG  60   6.328   7.753  -5.530
  430    HA   ARG  60           HA       ARG  60   6.939  10.476  -6.636
  431   1HB   ARG  60           HB2      ARG  60   8.564   9.264  -5.041
  432   2HB   ARG  60           HB1      ARG  60   8.841   8.139  -6.372
  433   1HG   ARG  60           HG2      ARG  60   9.537   9.992  -7.823
  434   2HG   ARG  60           HG1      ARG  60   9.215  11.145  -6.527
  435   1HD   ARG  60           HD2      ARG  60  10.912   9.942  -5.110
  436   2HD   ARG  60           HD1      ARG  60  11.315   8.950  -6.526
  437    HE   ARG  60           HE       ARG  60  11.679  11.912  -6.368
  438   1HH1  ARG  60          1HH1      ARG  60  14.201  10.698  -6.557
  439   2HH1  ARG  60          2HH1      ARG  60  14.486  10.457  -8.248
  440   1HH2  ARG  60          1HH2      ARG  60  11.152  10.803  -9.133
  441   2HH2  ARG  60          2HH2      ARG  60  12.761  10.516  -9.706

  No H/Q in entry =         441
  Start of MODEL   21
    1    H1   MET   1           HT1      MET   1 -18.650  -0.784  19.190
    2    H2   MET   1           HT3      MET   1 -19.518  -0.041  20.443
    3    H3   MET   1           HT2      MET   1 -20.130  -0.019  18.858
    4    HA   MET   1           HA       MET   1 -18.497   1.493  18.117
    5   1HB   MET   1           HB2      MET   1 -20.434   2.133  19.762
    6   2HB   MET   1           HB1      MET   1 -19.129   2.408  20.917
    7   1HG   MET   1           HG2      MET   1 -18.175   3.685  18.677
    8   2HG   MET   1           HG1      MET   1 -19.908   3.989  18.559
    9   1HE   MET   1           HE3      MET   1 -21.276   4.849  19.890
   10   2HE   MET   1           HE2      MET   1 -21.082   5.615  21.465
   11   3HE   MET   1           HE1      MET   1 -20.729   6.528  19.999
   12    H    GLU   2           HN       GLU   2 -16.557  -0.141  18.483
   13    HA   GLU   2           HA       GLU   2 -14.581   1.272  20.168
   14   1HB   GLU   2           HB2      GLU   2 -15.887  -1.301  20.797
   15   2HB   GLU   2           HB1      GLU   2 -14.128  -1.325  20.930
   16   1HG   GLU   2           HG2      GLU   2 -14.504   0.955  22.212
   17   2HG   GLU   2           HG1      GLU   2 -16.122   0.301  22.471
   18    H    ASP   3           HN       ASP   3 -14.408  -2.076  19.077
   19    HA   ASP   3           HA       ASP   3 -13.022  -3.103  17.459
   20   1HB   ASP   3           HB2      ASP   3 -13.978  -0.523  16.376
   21   2HB   ASP   3           HB1      ASP   3 -12.545  -1.166  15.574
   22    H    GLU   4           HN       GLU   4 -10.841  -2.278  16.059
   23    HA   GLU   4           HA       GLU   4  -9.058  -1.089  18.161
   24   1HB   GLU   4           HB2      GLU   4  -8.509  -3.122  15.971
   25   2HB   GLU   4           HB1      GLU   4  -7.325  -2.548  17.146
   26   1HG   GLU   4           HG2      GLU   4  -8.447  -3.567  18.957
   27   2HG   GLU   4           HG1      GLU   4  -9.936  -3.768  18.032
   28    H    ASP   5           HN       ASP   5  -6.926  -1.199  15.951
   29    HA   ASP   5           HA       ASP   5  -7.693   1.396  14.676
   30   1HB   ASP   5           HB2      ASP   5  -5.663   1.004  16.262
   31   2HB   ASP   5           HB1      ASP   5  -4.927   0.212  14.867
   32    H    VAL   6           HN       VAL   6  -8.539   0.928  12.655
   33    HA   VAL   6           HA       VAL   6  -7.611  -1.327  11.044
   34    HB   VAL   6           HB       VAL   6  -9.280   1.079  10.252
   35   1HG1  VAL   6          1HG1      VAL   6  -8.558  -0.456   8.434
   36   2HG1  VAL   6          3HG1      VAL   6  -9.284  -1.805   9.308
   37   3HG1  VAL   6          2HG1      VAL   6 -10.303  -0.508   8.684
   38   1HG2  VAL   6          1HG2      VAL   6  -9.858  -1.219  12.053
   39   2HG2  VAL   6          3HG2      VAL   6 -10.559   0.399  12.035
   40   3HG2  VAL   6          2HG2      VAL   6 -11.108  -0.812  10.878
   41    HA   PRO   7           HA       PRO   7  -4.265   0.790   9.109
   42   1HB   PRO   7           HB2      PRO   7  -4.089  -0.680   6.810
   43   2HB   PRO   7           HB1      PRO   7  -3.548  -1.290   8.388
   44   1HG   PRO   7           HG2      PRO   7  -6.091  -1.811   6.934
   45   2HG   PRO   7           HG1      PRO   7  -5.060  -2.934   7.835
   46   1HD   PRO   7           HD2      PRO   7  -7.341  -1.904   8.864
   47   2HD   PRO   7           HD1      PRO   7  -5.936  -2.311   9.873
   48    H    VAL   8           HN       VAL   8  -3.864   2.185   7.260
   49    HA   VAL   8           HA       VAL   8  -6.268   2.813   5.587
   50    HB   VAL   8           HB       VAL   8  -4.475   4.952   6.721
   51   1HG1  VAL   8          2HG1      VAL   8  -6.174   5.425   4.935
   52   2HG1  VAL   8          1HG1      VAL   8  -7.432   4.907   6.057
   53   3HG1  VAL   8          3HG1      VAL   8  -6.452   6.326   6.426
   54   1HG2  VAL   8          3HG2      VAL   8  -5.217   3.563   8.644
   55   2HG2  VAL   8          2HG2      VAL   8  -5.978   5.154   8.662
   56   3HG2  VAL   8          1HG2      VAL   8  -6.889   3.746   8.117
   57    H    CYS   9           HN       CYS   9  -5.754   3.198   3.440
   58    HA   CYS   9           HA       CYS   9  -3.079   2.677   2.484
   59   1HB   CYS   9           HB2      CYS   9  -5.014   2.141   1.149
   60   2HB   CYS   9           HB1      CYS   9  -5.606   3.800   1.242
   61    H    TRP  10           HN       TRP  10  -1.461   4.117   2.810
   62    HA   TRP  10           HA       TRP  10  -1.699   6.857   3.485
   63   1HB   TRP  10           HB2      TRP  10   0.724   6.846   2.948
   64   2HB   TRP  10           HB1      TRP  10   0.252   5.397   3.836
   65    HD1  TRP  10           HD1      TRP  10   0.181   3.089   2.529
   66    HE1  TRP  10           HE1      TRP  10   1.213   2.349   0.282
   67    HE3  TRP  10           HE3      TRP  10   1.366   7.649   0.542
   68    HZ2  TRP  10           HZ2      TRP  10   2.381   3.531  -2.048
   69    HZ3  TRP  10           HZ3      TRP  10   2.433   7.810  -1.690
   70    HH2  TRP  10           HH2      TRP  10   2.942   5.759  -2.986
   71    H    ILE  11           HN       ILE  11  -2.039   5.351   0.375
   72    HA   ILE  11           HA       ILE  11  -1.182   7.637  -1.215
   73    HB   ILE  11           HB       ILE  11  -2.962   5.294  -1.948
   74   1HG1  ILE  11          2HG1      ILE  11   0.037   5.556  -1.627
   75   2HG1  ILE  11          1HG1      ILE  11  -1.029   4.329  -0.944
   76   1HG2  ILE  11          2HG2      ILE  11  -2.042   7.532  -3.399
   77   2HG2  ILE  11          1HG2      ILE  11  -1.040   6.178  -3.923
   78   3HG2  ILE  11          3HG2      ILE  11  -2.797   6.079  -4.052
   79   1HD1  ILE  11          2HD1      ILE  11  -1.506   3.524  -3.266
   80   2HD1  ILE  11          1HD1      ILE  11  -0.310   4.673  -3.868
   81   3HD1  ILE  11          3HD1      ILE  11   0.189   3.355  -2.807
   82    H    CYS  12           HN       CYS  12  -4.436   6.209  -0.670
   83    HA   CYS  12           HA       CYS  12  -5.624   8.817  -1.493
   84   1HB   CYS  12           HB2      CYS  12  -7.690   7.422  -1.652
   85   2HB   CYS  12           HB1      CYS  12  -6.367   6.781  -2.624
   86    H    ASN  13           HN       ASN  13  -4.593   7.459   1.319
   87    HA   ASN  13           HA       ASN  13  -5.117   7.837   3.592
   88   1HB   ASN  13           HB2      ASN  13  -6.803  10.070   2.428
   89   2HB   ASN  13           HB1      ASN  13  -6.019  10.031   4.008
   90   1HD2  ASN  13          1HD2      ASN  13  -3.620  10.183   4.041
   91   2HD2  ASN  13          2HD2      ASN  13  -2.793  10.863   2.724
   92    H    GLU  14           HN       GLU  14  -6.545   5.743   2.869
   93    HA   GLU  14           HA       GLU  14  -9.222   6.224   4.068
   94   1HB   GLU  14           HB2      GLU  14  -9.585   6.499   1.690
   95   2HB   GLU  14           HB1      GLU  14  -8.666   5.036   1.334
   96   1HG   GLU  14           HG2      GLU  14 -10.633   3.928   1.407
   97   2HG   GLU  14           HG1      GLU  14 -10.599   4.183   3.152
   98    H    GLU  15           HN       GLU  15  -9.851   4.482   5.328
   99    HA   GLU  15           HA       GLU  15  -8.012   2.447   6.073
  100   1HB   GLU  15           HB2      GLU  15 -10.813   3.218   6.514
  101   2HB   GLU  15           HB1      GLU  15 -10.541   1.482   6.667
  102   1HG   GLU  15           HG2      GLU  15  -8.971   1.758   8.403
  103   2HG   GLU  15           HG1      GLU  15  -8.711   3.458   8.015
  104    H    LEU  16           HN       LEU  16  -7.673   0.367   5.323
  105    HA   LEU  16           HA       LEU  16  -9.342  -0.494   2.981
  106   1HB   LEU  16           HB2      LEU  16  -7.158  -1.760   2.395
  107   2HB   LEU  16           HB1      LEU  16  -7.167  -0.015   2.171
  108    HG   LEU  16           HG       LEU  16  -6.242  -1.184   4.781
  109   1HD1  LEU  16          2HD1      LEU  16  -5.098  -1.930   2.386
  110   2HD1  LEU  16          1HD1      LEU  16  -4.148  -0.512   2.833
  111   3HD1  LEU  16          3HD1      LEU  16  -4.256  -1.885   3.936
  112   1HD2  LEU  16          2HD2      LEU  16  -6.450   1.411   3.591
  113   2HD2  LEU  16          1HD2      LEU  16  -5.827   0.992   5.185
  114   3HD2  LEU  16          3HD2      LEU  16  -4.737   1.041   3.802
  115    H    GLY  17           HN       GLY  17  -8.272  -1.206   6.144
  116   1HA   GLY  17           HA1      GLY  17  -9.776  -3.727   6.137
  117   2HA   GLY  17           HA2      GLY  17  -9.102  -2.925   7.554
  118    H    ASN  18           HN       ASN  18  -7.207  -3.608   4.680
  119    HA   ASN  18           HA       ASN  18  -4.858  -4.513   5.326
  120   1HB   ASN  18           HB2      ASN  18  -5.582  -5.703   7.305
  121   2HB   ASN  18           HB1      ASN  18  -6.762  -6.632   6.380
  122   1HD2  ASN  18          1HD2      ASN  18  -3.224  -6.122   6.750
  123   2HD2  ASN  18          2HD2      ASN  18  -2.788  -7.658   6.173
  124    H    GLU  19           HN       GLU  19  -5.910  -4.031   2.929
  125    HA   GLU  19           HA       GLU  19  -6.867  -6.211   1.372
  126   1HB   GLU  19           HB2      GLU  19  -6.700  -3.700   0.853
  127   2HB   GLU  19           HB1      GLU  19  -5.015  -4.009   0.429
  128   1HG   GLU  19           HG2      GLU  19  -5.828  -4.467  -1.641
  129   2HG   GLU  19           HG1      GLU  19  -6.313  -6.011  -0.936
  130    H    ARG  20           HN       ARG  20  -5.822  -8.100   0.886
  131    HA   ARG  20           HA       ARG  20  -3.125  -8.665   1.623
  132   1HB   ARG  20           HB2      ARG  20  -5.227 -10.136   1.003
  133   2HB   ARG  20           HB1      ARG  20  -4.546 -10.069  -0.623
  134   1HG   ARG  20           HG2      ARG  20  -3.197 -11.768  -0.016
  135   2HG   ARG  20           HG1      ARG  20  -2.356 -10.619   1.025
  136   1HD   ARG  20           HD2      ARG  20  -4.883 -11.884   2.042
  137   2HD   ARG  20           HD1      ARG  20  -3.376 -12.821   2.075
  138    HE   ARG  20           HE       ARG  20  -2.934 -10.139   3.053
  139   1HH1  ARG  20          1HH1      ARG  20  -4.047  -9.788   5.211
  140   2HH1  ARG  20          2HH1      ARG  20  -3.879 -11.112   6.315
  141   1HH2  ARG  20          1HH2      ARG  20  -2.789 -13.341   3.892
  142   2HH2  ARG  20          2HH2      ARG  20  -3.167 -13.124   5.568
  143    H    PHE  21           HN       PHE  21  -1.689  -7.110   0.740
  144    HA   PHE  21           HA       PHE  21  -1.071  -7.492  -2.135
  145   1HB   PHE  21           HB2      PHE  21  -2.635  -5.677  -2.185
  146   2HB   PHE  21           HB1      PHE  21  -1.887  -4.909  -0.784
  147    HD1  PHE  21           HD1      PHE  21   0.318  -6.449  -3.239
  148    HD2  PHE  21           HD2      PHE  21  -1.684  -2.814  -2.137
  149    HE1  PHE  21           HE1      PHE  21   1.813  -5.169  -4.747
  150    HE2  PHE  21           HE2      PHE  21  -0.191  -1.535  -3.641
  151    HZ   PHE  21           HZ       PHE  21   1.563  -2.709  -4.945
  152    H    ARG  22           HN       ARG  22   0.997  -8.330  -1.577
  153    HA   ARG  22           HA       ARG  22   2.704  -7.088   0.420
  154   1HB   ARG  22           HB2      ARG  22   3.036  -9.126  -1.792
  155   2HB   ARG  22           HB1      ARG  22   4.396  -8.630  -0.784
  156   1HG   ARG  22           HG2      ARG  22   2.849  -9.170   1.221
  157   2HG   ARG  22           HG1      ARG  22   1.866 -10.048   0.049
  158   1HD   ARG  22           HD2      ARG  22   3.501 -11.664  -0.315
  159   2HD   ARG  22           HD1      ARG  22   4.825 -10.564   0.118
  160    HE   ARG  22           HE       ARG  22   2.921 -11.729   2.116
  161   1HH1  ARG  22          1HH1      ARG  22   4.928 -13.173   2.925
  162   2HH1  ARG  22          2HH1      ARG  22   6.114 -12.176   3.698
  163   1HH2  ARG  22          1HH2      ARG  22   4.895  -9.221   2.350
  164   2HH2  ARG  22          2HH2      ARG  22   6.096  -9.937   3.373
  165    H    ALA  23           HN       ALA  23   2.939  -4.856  -0.181
  166    HA   ALA  23           HA       ALA  23   4.327  -4.381  -2.800
  167   1HB   ALA  23           HB3      ALA  23   1.988  -3.326  -1.706
  168   2HB   ALA  23           HB1      ALA  23   2.888  -2.649  -3.063
  169   3HB   ALA  23           HB2      ALA  23   3.189  -2.066  -1.427
  170    H    CYS  24           HN       CYS  24   4.684  -4.337   0.596
  171    HA   CYS  24           HA       CYS  24   7.418  -3.619   0.587
  172   1HB   CYS  24           HB2      CYS  24   7.185  -1.425   0.012
  173   2HB   CYS  24           HB1      CYS  24   5.466  -1.425   0.371
  174    H    GLY  25           HN       GLY  25   8.224  -3.240   2.830
  175   1HA   GLY  25           HA1      GLY  25   7.870  -4.763   4.847
  176   2HA   GLY  25           HA2      GLY  25   6.240  -4.088   4.903
  177    H    CYS  26           HN       CYS  26   6.489  -1.458   4.675
  178    HA   CYS  26           HA       CYS  26   8.761  -0.324   6.096
  179   1HB   CYS  26           HB2      CYS  26   6.252   0.527   4.794
  180   2HB   CYS  26           HB1      CYS  26   6.758   1.554   6.134
  181    H    THR  27           HN       THR  27   7.540   1.447   7.892
  182    HA   THR  27           HA       THR  27   6.297  -0.399   9.911
  183    HB   THR  27           HB       THR  27   8.096   1.844  10.731
  184    HG1  THR  27           HG1      THR  27   9.618   1.051   9.534
  185   1HG2  THR  27          3HG2      THR  27   6.782   0.023  12.152
  186   2HG2  THR  27          2HG2      THR  27   8.195  -0.959  11.765
  187   3HG2  THR  27          1HG2      THR  27   8.391   0.563  12.634
  188    H    GLY  28           HN       GLY  28   5.131   1.723   8.046
  189   1HA   GLY  28           HA1      GLY  28   4.441   4.138   8.920
  190   2HA   GLY  28           HA2      GLY  28   3.675   3.177  10.183
  191    H    GLU  29           HN       GLU  29   2.827   4.847   7.631
  192    HA   GLU  29           HA       GLU  29   0.342   3.449   7.183
  193   1HB   GLU  29           HB2      GLU  29  -0.049   5.307   5.661
  194   2HB   GLU  29           HB1      GLU  29   0.797   5.924   7.080
  195   1HG   GLU  29           HG2      GLU  29   2.961   5.656   5.824
  196   2HG   GLU  29           HG1      GLU  29   2.020   5.247   4.389
  197    H    LEU  30           HN       LEU  30   3.340   3.778   5.299
  198    HA   LEU  30           HA       LEU  30   2.558   2.706   2.841
  199   1HB   LEU  30           HB2      LEU  30   4.855   3.538   4.012
  200   2HB   LEU  30           HB1      LEU  30   5.154   1.798   3.957
  201    HG   LEU  30           HG       LEU  30   5.953   2.864   1.885
  202   1HD1  LEU  30          1HD1      LEU  30   4.687   0.574   1.993
  203   2HD1  LEU  30          3HD1      LEU  30   3.410   1.439   1.141
  204   3HD1  LEU  30          2HD1      LEU  30   5.012   1.295   0.417
  205   1HD2  LEU  30          3HD2      LEU  30   3.369   4.222   2.129
  206   2HD2  LEU  30          2HD2      LEU  30   4.790   4.683   1.191
  207   3HD2  LEU  30          1HD2      LEU  30   3.620   3.549   0.517
  208    H    GLU  31           HN       GLU  31   3.052   0.989   5.876
  209    HA   GLU  31           HA       GLU  31   3.411  -1.656   4.957
  210   1HB   GLU  31           HB2      GLU  31   2.147  -0.312   7.324
  211   2HB   GLU  31           HB1      GLU  31   1.946  -2.056   7.147
  212   1HG   GLU  31           HG2      GLU  31   4.640  -1.667   6.596
  213   2HG   GLU  31           HG1      GLU  31   4.323  -0.531   7.909
  214    H    ASN  32           HN       ASN  32   0.289  -0.009   5.653
  215    HA   ASN  32           HA       ASN  32  -1.104  -2.159   4.118
  216   1HB   ASN  32           HB2      ASN  32  -2.131   0.085   5.886
  217   2HB   ASN  32           HB1      ASN  32  -3.076  -1.269   5.273
  218   1HD2  ASN  32          1HD2      ASN  32  -1.526  -0.243   8.015
  219   2HD2  ASN  32          2HD2      ASN  32  -1.139  -1.743   8.709
  220    H    VAL  33           HN       VAL  33  -1.573  -1.666   2.001
  221    HA   VAL  33           HA       VAL  33  -2.468   1.087   1.352
  222    HB   VAL  33           HB       VAL  33  -0.082   1.198   1.042
  223   1HG1  VAL  33          2HG1      VAL  33  -0.435  -1.388  -0.498
  224   2HG1  VAL  33          1HG1      VAL  33   1.056  -0.447  -0.480
  225   3HG1  VAL  33          3HG1      VAL  33   0.451  -1.169   1.011
  226   1HG2  VAL  33          3HG2      VAL  33  -1.755   1.961  -0.814
  227   2HG2  VAL  33          2HG2      VAL  33  -0.032   1.909  -1.194
  228   3HG2  VAL  33          1HG2      VAL  33  -1.094   0.605  -1.727
  229    H    HIS  34           HN       HIS  34  -3.955   1.101  -0.301
  230    HA   HIS  34           HA       HIS  34  -5.232  -1.309  -1.178
  231   1HB   HIS  34           HB2      HIS  34  -5.183   1.586  -1.936
  232   2HB   HIS  34           HB1      HIS  34  -6.110   0.461  -2.921
  233    HD2  HIS  34           HD2      HIS  34  -7.527  -1.330  -0.550
  234    HE1  HIS  34           HE1      HIS  34  -8.789   2.388   1.029
  235    HE2  HIS  34           HE2      HIS  34  -9.166  -0.102   1.039
  236    H    ARG  35           HN       ARG  35  -4.587  -2.694  -2.802
  237    HA   ARG  35           HA       ARG  35  -2.215  -2.234  -4.385
  238   1HB   ARG  35           HB2      ARG  35  -3.309  -4.418  -3.616
  239   2HB   ARG  35           HB1      ARG  35  -4.482  -4.170  -4.911
  240   1HG   ARG  35           HG2      ARG  35  -2.652  -4.105  -6.562
  241   2HG   ARG  35           HG1      ARG  35  -1.478  -4.355  -5.268
  242   1HD   ARG  35           HD2      ARG  35  -1.818  -6.546  -6.068
  243   2HD   ARG  35           HD1      ARG  35  -2.961  -6.460  -4.713
  244    HE   ARG  35           HE       ARG  35  -4.768  -6.161  -6.290
  245   1HH1  ARG  35          1HH1      ARG  35  -5.031  -5.201  -8.530
  246   2HH1  ARG  35          2HH1      ARG  35  -4.155  -6.041  -9.766
  247   1HH2  ARG  35          1HH2      ARG  35  -2.171  -7.802  -7.534
  248   2HH2  ARG  35          2HH2      ARG  35  -2.537  -7.513  -9.202
  249    H    SER  36           HN       SER  36  -5.505  -1.307  -4.710
  250    HA   SER  36           HA       SER  36  -5.662  -1.145  -7.595
  251   1HB   SER  36           HB2      SER  36  -7.555  -1.282  -5.951
  252   2HB   SER  36           HB1      SER  36  -7.183   0.364  -5.446
  253    HG   SER  36           HG       SER  36  -7.328   0.675  -7.922
  254    H    CYS  37           HN       CYS  37  -5.443   1.516  -5.164
  255    HA   CYS  37           HA       CYS  37  -4.655   3.389  -7.268
  256   1HB   CYS  37           HB2      CYS  37  -4.382   4.934  -5.232
  257   2HB   CYS  37           HB1      CYS  37  -5.989   4.298  -5.538
  258    HG   CYS  37           HG       CYS  37  -5.603   3.848  -3.043
  259    H    LEU  38           HN       LEU  38  -2.901   1.329  -5.039
  260    HA   LEU  38           HA       LEU  38  -0.437   2.922  -5.204
  261   1HB   LEU  38           HB2      LEU  38  -0.718   1.653  -3.230
  262   2HB   LEU  38           HB1      LEU  38  -1.237   0.222  -4.117
  263    HG   LEU  38           HG       LEU  38   0.974  -0.226  -4.893
  264   1HD1  LEU  38          1HD1      LEU  38   1.437   2.254  -5.354
  265   2HD1  LEU  38          3HD1      LEU  38   1.949   2.362  -3.673
  266   3HD1  LEU  38          2HD1      LEU  38   2.801   1.297  -4.790
  267   1HD2  LEU  38          2HD2      LEU  38   0.394  -0.366  -2.282
  268   2HD2  LEU  38          1HD2      LEU  38   1.992  -0.785  -2.900
  269   3HD2  LEU  38          3HD2      LEU  38   1.710   0.804  -2.187
  270    H    SER  39           HN       SER  39  -1.252  -0.394  -6.337
  271    HA   SER  39           HA       SER  39   0.965  -0.838  -7.986
  272   1HB   SER  39           HB2      SER  39  -0.402  -2.529  -8.966
  273   2HB   SER  39           HB1      SER  39  -1.043  -2.323  -7.338
  274    HG   SER  39           HG       SER  39  -2.803  -2.184  -8.596
  275    H    THR  40           HN       THR  40  -1.975   1.027  -8.683
  276    HA   THR  40           HA       THR  40  -1.204   1.530 -11.470
  277    HB   THR  40           HB       THR  40  -3.552   1.322 -10.480
  278    HG1  THR  40           HG1      THR  40  -2.705   2.635 -12.464
  279   1HG2  THR  40          1HG2      THR  40  -3.003   2.787  -8.502
  280   2HG2  THR  40          3HG2      THR  40  -3.004   4.166  -9.601
  281   3HG2  THR  40          2HG2      THR  40  -4.482   3.238  -9.349
  282    H    TRP  41           HN       TRP  41  -1.220   3.347  -8.397
  283    HA   TRP  41           HA       TRP  41  -0.474   5.896  -9.376
  284   1HB   TRP  41           HB2      TRP  41  -1.109   5.727  -7.120
  285   2HB   TRP  41           HB1      TRP  41  -0.074   4.331  -6.832
  286    HD1  TRP  41           HD1      TRP  41   0.122   8.135  -7.364
  287    HE1  TRP  41           HE1      TRP  41   2.303   9.000  -6.295
  288    HE3  TRP  41           HE3      TRP  41   2.273   3.704  -6.027
  289    HZ2  TRP  41           HZ2      TRP  41   4.649   7.950  -5.037
  290    HZ3  TRP  41           HZ3      TRP  41   4.475   3.661  -4.892
  291    HH2  TRP  41           HH2      TRP  41   5.669   5.775  -4.398
  292    H    LEU  42           HN       LEU  42   1.730   3.375  -8.056
  293    HA   LEU  42           HA       LEU  42   4.168   4.616  -8.729
  294   1HB   LEU  42           HB2      LEU  42   4.998   2.204  -8.780
  295   2HB   LEU  42           HB1      LEU  42   4.122   2.676  -7.328
  296    HG   LEU  42           HG       LEU  42   2.057   1.777  -8.834
  297   1HD1  LEU  42          2HD1      LEU  42   4.563   0.465  -9.838
  298   2HD1  LEU  42          1HD1      LEU  42   3.084  -0.488  -9.707
  299   3HD1  LEU  42          3HD1      LEU  42   3.121   0.945 -10.732
  300   1HD2  LEU  42          1HD2      LEU  42   3.579   0.935  -6.601
  301   2HD2  LEU  42          3HD2      LEU  42   1.950   0.421  -7.035
  302   3HD2  LEU  42          2HD2      LEU  42   3.343  -0.494  -7.607
  303    H    THR  43           HN       THR  43   2.006   2.670 -10.768
  304    HA   THR  43           HA       THR  43   3.726   2.288 -12.999
  305    HB   THR  43           HB       THR  43   0.744   2.612 -12.629
  306    HG1  THR  43           HG1      THR  43   0.783   0.440 -12.790
  307   1HG2  THR  43          1HG2      THR  43   2.209   1.901 -15.183
  308   2HG2  THR  43          3HG2      THR  43   0.463   1.827 -14.948
  309   3HG2  THR  43          2HG2      THR  43   1.294   3.382 -14.902
  310    H    ILE  44           HN       ILE  44   1.720   5.052 -12.042
  311    HA   ILE  44           HA       ILE  44   2.276   6.564 -14.487
  312    HB   ILE  44           HB       ILE  44   0.950   7.056 -11.819
  313   1HG1  ILE  44          2HG1      ILE  44  -0.215   7.376 -14.582
  314   2HG1  ILE  44          1HG1      ILE  44  -0.082   5.780 -13.843
  315   1HG2  ILE  44          1HG2      ILE  44   2.057   9.035 -13.664
  316   2HG2  ILE  44          3HG2      ILE  44   0.320   9.232 -13.434
  317   3HG2  ILE  44          2HG2      ILE  44   1.402   9.259 -12.042
  318   1HD1  ILE  44          3HD1      ILE  44  -1.234   7.923 -12.137
  319   2HD1  ILE  44          2HD1      ILE  44  -2.231   7.377 -13.485
  320   3HD1  ILE  44          1HD1      ILE  44  -1.686   6.223 -12.268
  321    H    SER  45           HN       SER  45   3.294   6.779 -11.056
  322    HA   SER  45           HA       SER  45   5.171   8.945 -11.530
  323   1HB   SER  45           HB2      SER  45   3.941   7.691  -9.380
  324   2HB   SER  45           HB1      SER  45   5.625   7.207  -9.208
  325    HG   SER  45           HG       SER  45   6.164   9.217  -8.806
  326    H    ARG  46           HN       ARG  46   5.270   5.529 -11.998
  327    HA   ARG  46           HA       ARG  46   7.001   4.178 -12.888
  328   1HB   ARG  46           HB2      ARG  46   7.424   6.555 -13.952
  329   2HB   ARG  46           HB1      ARG  46   8.796   6.591 -12.845
  330   1HG   ARG  46           HG2      ARG  46   9.962   5.324 -14.291
  331   2HG   ARG  46           HG1      ARG  46   8.789   4.025 -14.064
  332   1HD   ARG  46           HD2      ARG  46   7.387   4.918 -15.862
  333   2HD   ARG  46           HD1      ARG  46   8.479   6.304 -16.053
  334    HE   ARG  46           HE       ARG  46  10.222   4.242 -16.322
  335   1HH1  ARG  46          1HH1      ARG  46  10.209   2.486 -17.839
  336   2HH1  ARG  46          2HH1      ARG  46   9.136   2.600 -19.193
  337   1HH2  ARG  46          1HH2      ARG  46   7.481   5.398 -17.980
  338   2HH2  ARG  46          2HH2      ARG  46   7.589   4.251 -19.274
  339    H    ASN  47           HN       ASN  47   6.879   3.423 -10.499
  340    HA   ASN  47           HA       ASN  47   9.535   3.918  -9.191
  341   1HB   ASN  47           HB2      ASN  47   6.749   4.148  -8.244
  342   2HB   ASN  47           HB1      ASN  47   7.810   3.252  -7.156
  343   1HD2  ASN  47          1HD2      ASN  47   6.843   5.754  -6.314
  344   2HD2  ASN  47          2HD2      ASN  47   8.111   6.883  -6.313
  345    H    THR  48           HN       THR  48   6.750   1.736  -8.850
  346    HA   THR  48           HA       THR  48   6.591  -0.614  -8.917
  347    HB   THR  48           HB       THR  48   8.073  -1.731 -10.313
  348    HG1  THR  48           HG1      THR  48  10.321  -0.711 -10.461
  349   1HG2  THR  48          3HG2      THR  48   7.365   0.779 -11.111
  350   2HG2  THR  48          2HG2      THR  48   9.118   0.855 -11.284
  351   3HG2  THR  48          1HG2      THR  48   8.201  -0.384 -12.140
  352    H    ALA  49           HN       ALA  49   8.719   1.121  -6.954
  353    HA   ALA  49           HA       ALA  49   8.849  -1.138  -5.057
  354   1HB   ALA  49           HB2      ALA  49  11.054  -0.155  -6.728
  355   2HB   ALA  49           HB3      ALA  49  10.914  -1.671  -5.837
  356   3HB   ALA  49           HB1      ALA  49  11.453  -0.209  -5.011
  357    H    CYS  50           HN       CYS  50   8.924  -0.421  -2.927
  358    HA   CYS  50           HA       CYS  50   8.209   2.281  -2.309
  359   1HB   CYS  50           HB2      CYS  50   7.836   0.163  -0.960
  360   2HB   CYS  50           HB1      CYS  50   9.543   0.222  -0.520
  361    HG   CYS  50           HG       CYS  50   7.594   2.563   0.208
  362    H    GLN  51           HN       GLN  51   9.515   3.952  -1.318
  363    HA   GLN  51           HA       GLN  51  12.382   3.830  -2.113
  364   1HB   GLN  51           HB2      GLN  51  10.309   5.923  -1.571
  365   2HB   GLN  51           HB1      GLN  51  12.007   6.365  -1.388
  366   1HG   GLN  51           HG2      GLN  51  11.008   4.951  -3.860
  367   2HG   GLN  51           HG1      GLN  51  10.944   6.707  -3.714
  368   1HE2  GLN  51          1HE2      GLN  51  12.578   6.815  -5.494
  369   2HE2  GLN  51          2HE2      GLN  51  14.215   6.523  -5.149
  370    H    ILE  52           HN       ILE  52  10.460   3.425   0.667
  371    HA   ILE  52           HA       ILE  52  12.407   4.553   2.571
  372    HB   ILE  52           HB       ILE  52   9.864   2.923   2.855
  373   1HG1  ILE  52          2HG1      ILE  52   9.690   5.241   1.861
  374   2HG1  ILE  52          1HG1      ILE  52   8.816   5.041   3.381
  375   1HG2  ILE  52          1HG2      ILE  52  11.865   3.901   4.811
  376   2HG2  ILE  52          3HG2      ILE  52  10.179   4.216   5.224
  377   3HG2  ILE  52          2HG2      ILE  52  10.724   2.563   4.943
  378   1HD1  ILE  52          2HD1      ILE  52  11.645   5.899   3.628
  379   2HD1  ILE  52          1HD1      ILE  52  10.545   7.081   2.920
  380   3HD1  ILE  52          3HD1      ILE  52  10.224   6.431   4.527
  381    H    CYS  53           HN       CYS  53  11.185   1.293   1.726
  382    HA   CYS  53           HA       CYS  53  13.549   0.136   3.156
  383   1HB   CYS  53           HB2      CYS  53  12.100  -1.935   3.139
  384   2HB   CYS  53           HB1      CYS  53  11.401  -0.578   4.022
  385    HG   CYS  53           HG       CYS  53  10.369  -0.348   1.266
  386    H    GLY  54           HN       GLY  54  12.273   0.732   0.049
  387   1HA   GLY  54           HA1      GLY  54  14.458  -0.767  -1.190
  388   2HA   GLY  54           HA2      GLY  54  13.287   0.245  -2.034
  389    H    VAL  55           HN       VAL  55  11.471  -1.698  -0.094
  390    HA   VAL  55           HA       VAL  55  11.544  -4.246  -1.422
  391    HB   VAL  55           HB       VAL  55   9.287  -2.800   0.007
  392   1HG1  VAL  55          1HG1      VAL  55   9.669  -5.558  -1.031
  393   2HG1  VAL  55          3HG1      VAL  55   8.972  -5.424   0.584
  394   3HG1  VAL  55          2HG1      VAL  55   8.181  -4.643  -0.785
  395   1HG2  VAL  55          1HG2      VAL  55  11.566  -3.076   1.197
  396   2HG2  VAL  55          3HG2      VAL  55  10.138  -3.682   2.035
  397   3HG2  VAL  55          2HG2      VAL  55  11.210  -4.803   1.196
  398    H    VAL  56           HN       VAL  56  10.591  -4.878  -3.352
  399    HA   VAL  56           HA       VAL  56   9.512  -2.843  -5.129
  400    HB   VAL  56           HB       VAL  56   9.658  -5.870  -5.294
  401   1HG1  VAL  56          1HG1      VAL  56   7.989  -4.620  -6.803
  402   2HG1  VAL  56          3HG1      VAL  56   9.404  -3.905  -7.574
  403   3HG1  VAL  56          2HG1      VAL  56   9.170  -5.653  -7.609
  404   1HG2  VAL  56          2HG2      VAL  56  11.745  -4.111  -5.175
  405   2HG2  VAL  56          1HG2      VAL  56  11.798  -5.630  -6.068
  406   3HG2  VAL  56          3HG2      VAL  56  11.428  -4.125  -6.910
  407    H    TYR  57           HN       TYR  57   7.330  -2.737  -5.917
  408    HA   TYR  57           HA       TYR  57   5.276  -3.318  -3.969
  409   1HB   TYR  57           HB2      TYR  57   5.099  -2.552  -6.898
  410   2HB   TYR  57           HB1      TYR  57   3.825  -2.355  -5.697
  411    HD1  TYR  57           HD1      TYR  57   5.490  -0.244  -7.446
  412    HD2  TYR  57           HD2      TYR  57   5.592  -1.567  -3.364
  413    HE1  TYR  57           HE1      TYR  57   6.447   1.939  -6.765
  414    HE2  TYR  57           HE2      TYR  57   6.548   0.614  -2.679
  415    HH   TYR  57           HH       TYR  57   6.643   2.921  -3.497
  416    H    ASN  58           HN       ASN  58   6.184  -5.768  -4.125
  417    HA   ASN  58           HA       ASN  58   5.633  -7.569  -6.150
  418   1HB   ASN  58           HB2      ASN  58   6.312  -7.679  -3.516
  419   2HB   ASN  58           HB1      ASN  58   4.681  -8.346  -3.449
  420   1HD2  ASN  58          1HD2      ASN  58   7.327  -9.778  -3.130
  421   2HD2  ASN  58          2HD2      ASN  58   7.313 -11.000  -4.307
  422    H    THR  59           HN       THR  59   3.804  -7.514  -7.422
  423    HA   THR  59           HA       THR  59   1.157  -6.987  -6.182
  424    HB   THR  59           HB       THR  59   0.471  -6.662  -8.485
  425    HG1  THR  59           HG1      THR  59   1.437  -8.311  -9.540
  426   1HG2  THR  59          2HG2      THR  59   1.854  -4.871  -7.454
  427   2HG2  THR  59          1HG2      THR  59   3.295  -5.617  -8.144
  428   3HG2  THR  59          3HG2      THR  59   2.056  -4.946  -9.204
  429    H    ARG  60           HN       ARG  60  -0.023  -8.737  -5.518
  430    HA   ARG  60           HA       ARG  60  -0.279 -11.114  -7.219
  431   1HB   ARG  60           HB2      ARG  60   1.837 -11.596  -6.152
  432   2HB   ARG  60           HB1      ARG  60   1.201 -11.139  -4.571
  433   1HG   ARG  60           HG2      ARG  60   0.715 -13.327  -4.288
  434   2HG   ARG  60           HG1      ARG  60  -0.590 -13.074  -5.448
  435   1HD   ARG  60           HD2      ARG  60   1.457 -13.414  -7.181
  436   2HD   ARG  60           HD1      ARG  60   2.040 -14.413  -5.835
  437    HE   ARG  60           HE       ARG  60  -0.699 -15.010  -6.142
  438   1HH1  ARG  60          1HH1      ARG  60   2.404 -15.688  -7.390
  439   2HH1  ARG  60          2HH1      ARG  60   1.849 -16.856  -8.542
  440   1HH2  ARG  60          1HH2      ARG  60  -1.509 -16.314  -7.875
  441   2HH2  ARG  60          2HH2      ARG  60  -0.365 -17.211  -8.816

  No H/Q in entry =         441
  Start of MODEL   22
    1    H1   MET   1           HT2      MET   1   5.127  -5.189 -16.305
    2    H2   MET   1           HT1      MET   1   4.429  -5.583 -17.803
    3    H3   MET   1           HT3      MET   1   6.085  -5.227 -17.707
    4    HA   MET   1           HA       MET   1   4.893  -3.334 -18.622
    5   1HB   MET   1           HB2      MET   1   2.890  -4.292 -17.094
    6   2HB   MET   1           HB1      MET   1   3.458  -3.005 -16.029
    7   1HG   MET   1           HG2      MET   1   3.004  -2.446 -18.949
    8   2HG   MET   1           HG1      MET   1   1.640  -2.450 -17.831
    9   1HE   MET   1           HE2      MET   1   0.789  -0.908 -17.083
   10   2HE   MET   1           HE1      MET   1   1.489   0.100 -15.818
   11   3HE   MET   1           HE3      MET   1   1.222   0.762 -17.437
   12    H    GLU   2           HN       GLU   2   7.400  -3.621 -17.573
   13    HA   GLU   2           HA       GLU   2   7.637  -1.336 -15.638
   14   1HB   GLU   2           HB2      GLU   2   8.728  -4.079 -15.721
   15   2HB   GLU   2           HB1      GLU   2   9.918  -2.834 -15.338
   16   1HG   GLU   2           HG2      GLU   2   8.654  -2.064 -13.463
   17   2HG   GLU   2           HG1      GLU   2   7.237  -2.996 -13.949
   18    H    ASP   3           HN       ASP   3  10.125  -0.566 -15.786
   19    HA   ASP   3           HA       ASP   3  11.462  -0.764 -18.328
   20   1HB   ASP   3           HB2      ASP   3   9.576   0.394 -19.217
   21   2HB   ASP   3           HB1      ASP   3   9.515   1.495 -17.839
   22    H    GLU   4           HN       GLU   4  10.813   2.170 -16.430
   23    HA   GLU   4           HA       GLU   4  13.579   2.016 -15.301
   24   1HB   GLU   4           HB2      GLU   4  12.296   4.113 -17.043
   25   2HB   GLU   4           HB1      GLU   4  13.580   4.564 -15.921
   26   1HG   GLU   4           HG2      GLU   4  15.107   2.976 -16.945
   27   2HG   GLU   4           HG1      GLU   4  13.822   2.351 -17.979
   28    H    ASP   5           HN       ASP   5  10.492   3.838 -15.287
   29    HA   ASP   5           HA       ASP   5  10.897   5.108 -12.748
   30   1HB   ASP   5           HB2      ASP   5   9.046   5.080 -14.839
   31   2HB   ASP   5           HB1      ASP   5   8.127   4.511 -13.445
   32    H    VAL   6           HN       VAL   6  10.319   4.463 -10.674
   33    HA   VAL   6           HA       VAL   6   9.112   1.740 -10.334
   34    HB   VAL   6           HB       VAL   6  11.495   2.958  -8.893
   35   1HG1  VAL   6          2HG1      VAL   6  10.018   1.464  -7.503
   36   2HG1  VAL   6          1HG1      VAL   6  10.326   0.171  -8.661
   37   3HG1  VAL   6          3HG1      VAL   6  11.655   0.846  -7.720
   38   1HG2  VAL   6          2HG2      VAL   6  11.173   1.148 -11.222
   39   2HG2  VAL   6          1HG2      VAL   6  12.507   2.225 -10.810
   40   3HG2  VAL   6          3HG2      VAL   6  12.374   0.649 -10.029
   41    HA   PRO   7           HA       PRO   7   6.518   4.160  -7.678
   42   1HB   PRO   7           HB2      PRO   7   5.114   2.092  -6.581
   43   2HB   PRO   7           HB1      PRO   7   4.828   2.687  -8.228
   44   1HG   PRO   7           HG2      PRO   7   6.347   0.305  -7.313
   45   2HG   PRO   7           HG1      PRO   7   5.294   0.500  -8.723
   46   1HD   PRO   7           HD2      PRO   7   8.025   0.545  -8.851
   47   2HD   PRO   7           HD1      PRO   7   6.969   1.379 -10.011
   48    H    VAL   8           HN       VAL   8   6.130   4.414  -5.355
   49    HA   VAL   8           HA       VAL   8   8.062   2.960  -3.594
   50    HB   VAL   8           HB       VAL   8   7.493   5.925  -3.468
   51   1HG1  VAL   8          3HG1      VAL   8   8.535   4.661  -1.519
   52   2HG1  VAL   8          2HG1      VAL   8   9.916   4.346  -2.571
   53   3HG1  VAL   8          1HG1      VAL   8   9.492   6.003  -2.145
   54   1HG2  VAL   8          2HG2      VAL   8   9.293   4.377  -5.280
   55   2HG2  VAL   8          1HG2      VAL   8   8.473   5.913  -5.559
   56   3HG2  VAL   8          3HG2      VAL   8   9.937   5.861  -4.577
   57    H    CYS   9           HN       CYS   9   7.323   2.641  -1.463
   58    HA   CYS   9           HA       CYS   9   4.461   2.674  -1.051
   59   1HB   CYS   9           HB2      CYS   9   5.822   0.960  -0.062
   60   2HB   CYS   9           HB1      CYS   9   6.863   2.154   0.714
   61    H    TRP  10           HN       TRP  10   3.314   4.411  -0.419
   62    HA   TRP  10           HA       TRP  10   4.431   6.949   0.287
   63   1HB   TRP  10           HB2      TRP  10   2.035   7.467   0.732
   64   2HB   TRP  10           HB1      TRP  10   2.251   6.590  -0.783
   65    HD1  TRP  10           HD1      TRP  10   1.487   4.028  -0.864
   66    HE1  TRP  10           HE1      TRP  10  -0.114   2.671   0.636
   67    HE3  TRP  10           HE3      TRP  10   1.152   7.168   3.157
   68    HZ2  TRP  10           HZ2      TRP  10  -1.371   2.886   3.195
   69    HZ3  TRP  10           HZ3      TRP  10  -0.253   6.566   5.107
   70    HH2  TRP  10           HH2      TRP  10  -1.514   4.432   5.132
   71    H    ILE  11           HN       ILE  11   3.652   4.154   2.241
   72    HA   ILE  11           HA       ILE  11   3.288   5.584   4.745
   73    HB   ILE  11           HB       ILE  11   4.031   2.694   4.181
   74   1HG1  ILE  11          2HG1      ILE  11   1.345   4.094   4.407
   75   2HG1  ILE  11          1HG1      ILE  11   2.007   3.331   2.962
   76   1HG2  ILE  11          2HG2      ILE  11   3.090   4.218   6.590
   77   2HG2  ILE  11          1HG2      ILE  11   2.590   2.539   6.388
   78   3HG2  ILE  11          3HG2      ILE  11   4.305   2.945   6.480
   79   1HD1  ILE  11          3HD1      ILE  11   2.039   1.150   4.171
   80   2HD1  ILE  11          2HD1      ILE  11   1.274   1.935   5.553
   81   3HD1  ILE  11          1HD1      ILE  11   0.411   1.813   4.019
   82    H    CYS  12           HN       CYS  12   5.982   3.460   3.641
   83    HA   CYS  12           HA       CYS  12   7.719   4.827   5.650
   84   1HB   CYS  12           HB2      CYS  12   9.163   2.802   5.259
   85   2HB   CYS  12           HB1      CYS  12   7.549   2.418   5.850
   86    H    ASN  13           HN       ASN  13   6.993   5.231   2.472
   87    HA   ASN  13           HA       ASN  13   8.139   6.283   0.689
   88   1HB   ASN  13           HB2      ASN  13   9.394   7.062   3.247
   89   2HB   ASN  13           HB1      ASN  13  10.415   7.315   1.830
   90   1HD2  ASN  13          1HD2      ASN  13   8.560   8.045  -0.128
   91   2HD2  ASN  13          2HD2      ASN  13   7.764   9.472   0.332
   92    H    GLU  14           HN       GLU  14   8.530   3.706   0.351
   93    HA   GLU  14           HA       GLU  14  11.452   3.442  -0.202
   94   1HB   GLU  14           HB2      GLU  14  11.249   2.255   1.827
   95   2HB   GLU  14           HB1      GLU  14   9.645   1.648   1.417
   96   1HG   GLU  14           HG2      GLU  14  10.488   0.018  -0.035
   97   2HG   GLU  14           HG1      GLU  14  12.007   0.880  -0.277
   98    H    GLU  15           HN       GLU  15  11.776   2.669  -2.257
   99    HA   GLU  15           HA       GLU  15   9.628   2.265  -4.095
  100   1HB   GLU  15           HB2      GLU  15  12.565   2.090  -3.977
  101   2HB   GLU  15           HB1      GLU  15  11.834   1.056  -5.205
  102   1HG   GLU  15           HG2      GLU  15  10.683   2.932  -6.201
  103   2HG   GLU  15           HG1      GLU  15  11.170   3.994  -4.881
  104    H    LEU  16           HN       LEU  16   8.509   0.421  -4.683
  105    HA   LEU  16           HA       LEU  16   9.378  -2.134  -3.374
  106   1HB   LEU  16           HB2      LEU  16   6.834  -2.666  -3.904
  107   2HB   LEU  16           HB1      LEU  16   7.268  -1.719  -2.488
  108    HG   LEU  16           HG       LEU  16   6.610  -0.412  -5.132
  109   1HD1  LEU  16          3HD1      LEU  16   4.699  -1.823  -4.447
  110   2HD1  LEU  16          2HD1      LEU  16   4.728  -1.078  -2.846
  111   3HD1  LEU  16          1HD1      LEU  16   4.322  -0.111  -4.261
  112   1HD2  LEU  16          2HD2      LEU  16   7.451   0.499  -2.544
  113   2HD2  LEU  16          1HD2      LEU  16   7.069   1.461  -3.972
  114   3HD2  LEU  16          3HD2      LEU  16   5.796   1.051  -2.823
  115    H    GLY  17           HN       GLY  17   8.325  -0.590  -6.351
  116   1HA   GLY  17           HA1      GLY  17   9.707  -2.626  -7.913
  117   2HA   GLY  17           HA2      GLY  17   8.939  -1.180  -8.549
  118    H    ASN  18           HN       ASN  18   7.163  -3.525  -6.548
  119    HA   ASN  18           HA       ASN  18   5.089  -3.759  -8.535
  120   1HB   ASN  18           HB2      ASN  18   5.647  -5.802  -9.589
  121   2HB   ASN  18           HB1      ASN  18   7.180  -4.940  -9.525
  122   1HD2  ASN  18          1HD2      ASN  18   7.362  -5.447  -6.516
  123   2HD2  ASN  18          2HD2      ASN  18   7.833  -7.072  -6.387
  124    H    GLU  19           HN       GLU  19   5.320  -3.554  -5.585
  125    HA   GLU  19           HA       GLU  19   4.695  -6.077  -4.344
  126   1HB   GLU  19           HB2      GLU  19   5.429  -3.835  -3.320
  127   2HB   GLU  19           HB1      GLU  19   3.747  -3.331  -3.490
  128   1HG   GLU  19           HG2      GLU  19   3.569  -4.240  -1.395
  129   2HG   GLU  19           HG1      GLU  19   3.377  -5.735  -2.309
  130    H    ARG  20           HN       ARG  20   2.996  -7.231  -5.298
  131    HA   ARG  20           HA       ARG  20   0.594  -5.976  -6.332
  132   1HB   ARG  20           HB2      ARG  20   1.894  -8.417  -6.492
  133   2HB   ARG  20           HB1      ARG  20   0.457  -8.804  -5.546
  134   1HG   ARG  20           HG2      ARG  20   0.084  -7.081  -7.952
  135   2HG   ARG  20           HG1      ARG  20   0.419  -8.792  -8.224
  136   1HD   ARG  20           HD2      ARG  20  -1.480  -9.422  -6.793
  137   2HD   ARG  20           HD1      ARG  20  -1.806  -7.709  -6.455
  138    HE   ARG  20           HE       ARG  20  -1.652  -8.191  -9.302
  139   1HH1  ARG  20          1HH1      ARG  20  -3.559 -10.281  -8.835
  140   2HH1  ARG  20          2HH1      ARG  20  -5.078  -9.462  -8.697
  141   1HH2  ARG  20          1HH2      ARG  20  -3.652  -6.355  -8.119
  142   2HH2  ARG  20          2HH2      ARG  20  -5.132  -7.240  -8.292
  143    H    PHE  21           HN       PHE  21  -0.428  -4.771  -4.676
  144    HA   PHE  21           HA       PHE  21  -1.778  -6.399  -2.587
  145   1HB   PHE  21           HB2      PHE  21   0.227  -5.697  -1.488
  146   2HB   PHE  21           HB1      PHE  21   0.117  -4.076  -2.171
  147    HD1  PHE  21           HD1      PHE  21   0.299  -3.141   0.136
  148    HD2  PHE  21           HD2      PHE  21  -2.961  -5.678  -1.041
  149    HE1  PHE  21           HE1      PHE  21  -0.990  -2.396   2.114
  150    HE2  PHE  21           HE2      PHE  21  -4.255  -4.931   0.942
  151    HZ   PHE  21           HZ       PHE  21  -3.269  -3.291   2.519
  152    H    ARG  22           HN       ARG  22  -3.827  -5.921  -3.464
  153    HA   ARG  22           HA       ARG  22  -4.588  -3.271  -4.373
  154   1HB   ARG  22           HB2      ARG  22  -5.596  -5.334  -5.224
  155   2HB   ARG  22           HB1      ARG  22  -6.160  -5.753  -3.607
  156   1HG   ARG  22           HG2      ARG  22  -8.017  -4.778  -4.820
  157   2HG   ARG  22           HG1      ARG  22  -7.496  -3.623  -3.594
  158   1HD   ARG  22           HD2      ARG  22  -6.544  -2.177  -5.166
  159   2HD   ARG  22           HD1      ARG  22  -6.314  -3.470  -6.361
  160    HE   ARG  22           HE       ARG  22  -8.753  -1.936  -5.991
  161   1HH1  ARG  22          1HH1      ARG  22  -9.964  -4.471  -5.424
  162   2HH1  ARG  22          2HH1      ARG  22 -10.205  -5.197  -6.978
  163   1HH2  ARG  22          1HH2      ARG  22  -7.962  -3.107  -8.597
  164   2HH2  ARG  22          2HH2      ARG  22  -9.072  -4.425  -8.775
  165    H    ALA  23           HN       ALA  23  -4.181  -1.842  -2.580
  166    HA   ALA  23           HA       ALA  23  -6.000  -2.244  -0.229
  167   1HB   ALA  23           HB3      ALA  23  -3.676  -0.456   0.051
  168   2HB   ALA  23           HB2      ALA  23  -4.224  -1.754   1.113
  169   3HB   ALA  23           HB1      ALA  23  -3.249  -2.128  -0.309
  170    H    CYS  24           HN       CYS  24  -5.399  -0.360  -2.964
  171    HA   CYS  24           HA       CYS  24  -7.470   1.498  -2.529
  172   1HB   CYS  24           HB2      CYS  24  -6.512   2.597  -0.754
  173   2HB   CYS  24           HB1      CYS  24  -4.888   2.066  -1.173
  174    H    GLY  25           HN       GLY  25  -7.328   3.375  -4.077
  175   1HA   GLY  25           HA1      GLY  25  -7.174   3.430  -6.554
  176   2HA   GLY  25           HA2      GLY  25  -5.589   2.667  -6.404
  177    H    CYS  26           HN       CYS  26  -7.055   5.436  -4.678
  178    HA   CYS  26           HA       CYS  26  -6.369   7.716  -4.650
  179   1HB   CYS  26           HB2      CYS  26  -4.311   5.802  -3.860
  180   2HB   CYS  26           HB1      CYS  26  -3.626   7.354  -4.332
  181    H    THR  27           HN       THR  27  -3.817   8.772  -5.482
  182    HA   THR  27           HA       THR  27  -4.192   8.649  -8.444
  183    HB   THR  27           HB       THR  27  -2.687  10.723  -6.844
  184    HG1  THR  27           HG1      THR  27  -4.582  10.943  -5.908
  185   1HG2  THR  27          1HG2      THR  27  -4.106  10.666  -9.517
  186   2HG2  THR  27          3HG2      THR  27  -3.540  12.153  -8.755
  187   3HG2  THR  27          2HG2      THR  27  -2.384  10.905  -9.220
  188    H    GLY  28           HN       GLY  28  -1.951   7.770  -5.946
  189   1HA   GLY  28           HA1      GLY  28   0.475   8.037  -7.498
  190   2HA   GLY  28           HA2      GLY  28  -0.179   6.408  -7.640
  191    H    GLU  29           HN       GLU  29   0.703   8.826  -5.152
  192    HA   GLU  29           HA       GLU  29   2.539   7.389  -3.705
  193   1HB   GLU  29           HB2      GLU  29   2.101   8.925  -1.979
  194   2HB   GLU  29           HB1      GLU  29   1.454   9.746  -3.397
  195   1HG   GLU  29           HG2      GLU  29  -0.807   8.954  -2.847
  196   2HG   GLU  29           HG1      GLU  29  -0.171   8.086  -1.449
  197    H    LEU  30           HN       LEU  30  -1.015   7.140  -3.186
  198    HA   LEU  30           HA       LEU  30  -0.627   4.919  -1.290
  199   1HB   LEU  30           HB2      LEU  30  -2.461   6.903  -1.577
  200   2HB   LEU  30           HB1      LEU  30  -3.296   5.589  -2.397
  201    HG   LEU  30           HG       LEU  30  -3.927   5.521  -0.067
  202   1HD1  LEU  30          2HD1      LEU  30  -3.280   3.366  -1.332
  203   2HD1  LEU  30          1HD1      LEU  30  -1.818   3.382  -0.347
  204   3HD1  LEU  30          3HD1      LEU  30  -3.401   3.268   0.424
  205   1HD2  LEU  30          3HD2      LEU  30  -0.941   5.604   0.414
  206   2HD2  LEU  30          2HD2      LEU  30  -2.151   6.761   0.967
  207   3HD2  LEU  30          1HD2      LEU  30  -2.098   5.140   1.662
  208    H    GLU  31           HN       GLU  31  -0.777   5.259  -4.646
  209    HA   GLU  31           HA       GLU  31  -2.279   2.924  -5.403
  210   1HB   GLU  31           HB2      GLU  31  -0.958   5.101  -6.574
  211   2HB   GLU  31           HB1      GLU  31  -0.114   3.681  -7.193
  212   1HG   GLU  31           HG2      GLU  31  -2.807   2.966  -7.306
  213   2HG   GLU  31           HG1      GLU  31  -2.790   4.655  -7.816
  214    H    ASN  32           HN       ASN  32   1.125   3.440  -4.495
  215    HA   ASN  32           HA       ASN  32   1.541   0.479  -4.793
  216   1HB   ASN  32           HB2      ASN  32   3.697   2.583  -4.973
  217   2HB   ASN  32           HB1      ASN  32   3.706   0.947  -5.620
  218   1HD2  ASN  32          1HD2      ASN  32   3.387   4.131  -6.555
  219   2HD2  ASN  32          2HD2      ASN  32   2.503   3.912  -7.988
  220    H    VAL  33           HN       VAL  33   1.800  -0.421  -2.781
  221    HA   VAL  33           HA       VAL  33   3.513   0.964  -0.798
  222    HB   VAL  33           HB       VAL  33   1.345   1.864  -0.285
  223   1HG1  VAL  33          2HG1      VAL  33   0.282  -0.214  -1.603
  224   2HG1  VAL  33          1HG1      VAL  33   0.093  -0.829   0.038
  225   3HG1  VAL  33          3HG1      VAL  33  -0.648   0.703  -0.420
  226   1HG2  VAL  33          3HG2      VAL  33   2.816   0.420   1.491
  227   2HG2  VAL  33          2HG2      VAL  33   1.381   1.344   1.938
  228   3HG2  VAL  33          1HG2      VAL  33   1.256  -0.388   1.629
  229    H    HIS  34           HN       HIS  34   4.559  -0.515   0.573
  230    HA   HIS  34           HA       HIS  34   4.584  -3.309  -0.141
  231   1HB   HIS  34           HB2      HIS  34   5.428  -1.972   2.444
  232   2HB   HIS  34           HB1      HIS  34   5.993  -3.525   1.849
  233    HD2  HIS  34           HD2      HIS  34   7.533  -3.266  -0.675
  234    HE1  HIS  34           HE1      HIS  34   8.600   0.740   0.171
  235    HE2  HIS  34           HE2      HIS  34   9.076  -1.269  -1.276
  236    H    ARG  35           HN       ARG  35   3.016  -4.788   0.345
  237    HA   ARG  35           HA       ARG  35   0.748  -4.304   1.987
  238   1HB   ARG  35           HB2      ARG  35   0.868  -6.007   0.240
  239   2HB   ARG  35           HB1      ARG  35   2.140  -6.858   1.116
  240   1HG   ARG  35           HG2      ARG  35   0.674  -7.615   2.773
  241   2HG   ARG  35           HG1      ARG  35  -0.501  -6.338   2.453
  242   1HD   ARG  35           HD2      ARG  35  -1.478  -7.492   0.720
  243   2HD   ARG  35           HD1      ARG  35   0.059  -8.210   0.201
  244    HE   ARG  35           HE       ARG  35  -1.116  -9.099   2.787
  245   1HH1  ARG  35          1HH1      ARG  35   0.214 -11.173   2.849
  246   2HH1  ARG  35          2HH1      ARG  35  -0.090 -12.236   1.515
  247   1HH2  ARG  35          1HH2      ARG  35  -1.704  -9.826  -0.383
  248   2HH2  ARG  35          2HH2      ARG  35  -1.176 -11.474  -0.313
  249    H    SER  36           HN       SER  36   3.996  -5.044   2.853
  250    HA   SER  36           HA       SER  36   3.451  -6.413   5.360
  251   1HB   SER  36           HB2      SER  36   5.525  -6.618   4.008
  252   2HB   SER  36           HB1      SER  36   5.897  -4.930   4.348
  253    HG   SER  36           HG       SER  36   6.336  -5.425   6.391
  254    H    CYS  37           HN       CYS  37   4.555  -3.051   4.607
  255    HA   CYS  37           HA       CYS  37   4.278  -2.278   7.422
  256   1HB   CYS  37           HB2      CYS  37   4.952  -0.066   6.540
  257   2HB   CYS  37           HB1      CYS  37   6.000  -1.344   5.942
  258    HG   CYS  37           HG       CYS  37   5.390  -0.561   3.685
  259    H    LEU  38           HN       LEU  38   2.303  -1.850   4.477
  260    HA   LEU  38           HA       LEU  38   0.526   0.098   5.686
  261   1HB   LEU  38           HB2      LEU  38   0.634   0.004   3.324
  262   2HB   LEU  38           HB1      LEU  38   0.430  -1.748   3.295
  263    HG   LEU  38           HG       LEU  38  -1.874  -1.596   3.855
  264   1HD1  LEU  38          1HD1      LEU  38  -1.024   0.946   5.045
  265   2HD1  LEU  38          3HD1      LEU  38  -2.552   1.072   4.175
  266   3HD1  LEU  38          2HD1      LEU  38  -2.374  -0.100   5.481
  267   1HD2  LEU  38          1HD2      LEU  38  -0.815  -0.086   1.665
  268   2HD2  LEU  38          3HD2      LEU  38  -2.373  -0.906   1.770
  269   3HD2  LEU  38          2HD2      LEU  38  -2.223   0.772   2.290
  270    H    SER  39           HN       SER  39  -0.001  -3.367   4.920
  271    HA   SER  39           HA       SER  39  -2.465  -3.709   6.220
  272   1HB   SER  39           HB2      SER  39  -1.160  -5.284   4.726
  273   2HB   SER  39           HB1      SER  39  -0.160  -5.676   6.122
  274    HG   SER  39           HG       SER  39  -1.862  -7.148   5.947
  275    H    THR  40           HN       THR  40   0.806  -3.672   7.614
  276    HA   THR  40           HA       THR  40  -0.206  -4.469  10.269
  277    HB   THR  40           HB       THR  40   2.066  -5.009   9.072
  278    HG1  THR  40           HG1      THR  40   2.064  -4.096  11.754
  279   1HG2  THR  40          2HG2      THR  40   2.495  -2.492   8.748
  280   2HG2  THR  40          1HG2      THR  40   2.885  -2.459  10.468
  281   3HG2  THR  40          3HG2      THR  40   3.835  -3.457   9.366
  282    H    TRP  41           HN       TRP  41   0.731  -1.527   8.568
  283    HA   TRP  41           HA       TRP  41   0.940   0.195  10.867
  284   1HB   TRP  41           HB2      TRP  41   1.875   1.040   8.904
  285   2HB   TRP  41           HB1      TRP  41   0.561   0.437   7.897
  286    HD1  TRP  41           HD1      TRP  41   1.411   3.284  10.329
  287    HE1  TRP  41           HE1      TRP  41  -0.202   5.247   9.891
  288    HE3  TRP  41           HE3      TRP  41  -1.730   1.109   6.937
  289    HZ2  TRP  41           HZ2      TRP  41  -2.514   5.820   8.310
  290    HZ3  TRP  41           HZ3      TRP  41  -3.623   2.390   5.976
  291    HH2  TRP  41           HH2      TRP  41  -4.020   4.739   6.661
  292    H    LEU  42           HN       LEU  42  -1.724  -0.141   8.478
  293    HA   LEU  42           HA       LEU  42  -3.662   1.416   9.777
  294   1HB   LEU  42           HB2      LEU  42  -5.271  -0.184   8.601
  295   2HB   LEU  42           HB1      LEU  42  -4.038   0.546   7.575
  296    HG   LEU  42           HG       LEU  42  -2.684  -1.653   8.294
  297   1HD1  LEU  42          1HD1      LEU  42  -4.705  -2.344   9.718
  298   2HD1  LEU  42          3HD1      LEU  42  -5.520  -2.675   8.189
  299   3HD1  LEU  42          2HD1      LEU  42  -4.053  -3.557   8.616
  300   1HD2  LEU  42          3HD2      LEU  42  -4.229  -0.786   6.054
  301   2HD2  LEU  42          2HD2      LEU  42  -2.857  -1.893   6.061
  302   3HD2  LEU  42          1HD2      LEU  42  -4.494  -2.517   6.257
  303    H    THR  43           HN       THR  43  -2.508  -1.808  10.586
  304    HA   THR  43           HA       THR  43  -4.669  -2.577  12.331
  305    HB   THR  43           HB       THR  43  -1.744  -3.334  12.551
  306    HG1  THR  43           HG1      THR  43  -2.456  -4.993  10.992
  307   1HG2  THR  43          1HG2      THR  43  -3.762  -4.128  14.106
  308   2HG2  THR  43          3HG2      THR  43  -4.029  -5.242  12.765
  309   3HG2  THR  43          2HG2      THR  43  -2.485  -5.240  13.616
  310    H    ILE  44           HN       ILE  44  -1.528  -0.977  12.929
  311    HA   ILE  44           HA       ILE  44  -1.966  -0.679  15.785
  312    HB   ILE  44           HB       ILE  44  -0.058   0.352  13.694
  313   1HG1  ILE  44          2HG1      ILE  44   1.411  -0.728  15.704
  314   2HG1  ILE  44          1HG1      ILE  44  -0.094  -1.626  15.906
  315   1HG2  ILE  44          2HG2      ILE  44  -0.125   1.200  16.608
  316   2HG2  ILE  44          1HG2      ILE  44   1.172   1.560  15.468
  317   3HG2  ILE  44          3HG2      ILE  44  -0.433   2.248  15.224
  318   1HD1  ILE  44          3HD1      ILE  44   1.148  -1.309  13.180
  319   2HD1  ILE  44          2HD1      ILE  44   1.693  -2.580  14.275
  320   3HD1  ILE  44          1HD1      ILE  44   0.013  -2.538  13.740
  321    H    SER  45           HN       SER  45  -2.460   1.378  12.925
  322    HA   SER  45           HA       SER  45  -3.393   3.640  14.589
  323   1HB   SER  45           HB2      SER  45  -1.997   3.597  12.358
  324   2HB   SER  45           HB1      SER  45  -3.574   3.429  11.592
  325    HG   SER  45           HG       SER  45  -4.149   5.312  12.973
  326    H    ARG  46           HN       ARG  46  -4.786   0.815  13.890
  327    HA   ARG  46           HA       ARG  46  -7.022   0.086  13.663
  328   1HB   ARG  46           HB2      ARG  46  -7.229   1.470  15.662
  329   2HB   ARG  46           HB1      ARG  46  -7.368   2.926  14.676
  330   1HG   ARG  46           HG2      ARG  46  -9.376   1.543  13.584
  331   2HG   ARG  46           HG1      ARG  46  -9.375   0.769  15.168
  332   1HD   ARG  46           HD2      ARG  46  -9.699   2.889  16.290
  333   2HD   ARG  46           HD1      ARG  46  -9.463   3.781  14.773
  334    HE   ARG  46           HE       ARG  46 -11.719   3.309  14.288
  335   1HH1  ARG  46          1HH1      ARG  46 -10.675   1.370  16.886
  336   2HH1  ARG  46          2HH1      ARG  46 -11.979   0.237  16.764
  337   1HH2  ARG  46          1HH2      ARG  46 -13.281   1.640  13.874
  338   2HH2  ARG  46          2HH2      ARG  46 -13.452   0.389  15.060
  339    H    ASN  47           HN       ASN  47  -6.402   0.275  11.216
  340    HA   ASN  47           HA       ASN  47  -8.383   2.108   9.919
  341   1HB   ASN  47           HB2      ASN  47  -5.459   1.637   9.305
  342   2HB   ASN  47           HB1      ASN  47  -6.559   2.345   8.120
  343   1HD2  ASN  47          1HD2      ASN  47  -4.360   3.847   9.207
  344   2HD2  ASN  47          2HD2      ASN  47  -4.996   5.105  10.152
  345    H    THR  48           HN       THR  48  -9.508   1.133   8.218
  346    HA   THR  48           HA       THR  48  -8.683  -1.661   7.495
  347    HB   THR  48           HB       THR  48 -11.197  -2.020   7.319
  348    HG1  THR  48           HG1      THR  48 -12.252  -0.339   8.754
  349   1HG2  THR  48          1HG2      THR  48  -9.631  -1.517   9.790
  350   2HG2  THR  48          3HG2      THR  48 -11.378  -1.654   9.989
  351   3HG2  THR  48          2HG2      THR  48 -10.467  -2.978   9.264
  352    H    ALA  49           HN       ALA  49  -9.467   1.488   6.377
  353    HA   ALA  49           HA       ALA  49  -9.259   0.547   3.575
  354   1HB   ALA  49           HB1      ALA  49 -11.609   0.384   3.923
  355   2HB   ALA  49           HB3      ALA  49 -11.653   1.892   4.836
  356   3HB   ALA  49           HB2      ALA  49 -11.378   1.923   3.094
  357    H    CYS  50           HN       CYS  50  -8.681   2.261   2.122
  358    HA   CYS  50           HA       CYS  50  -7.061   4.355   3.218
  359   1HB   CYS  50           HB2      CYS  50  -6.884   3.269   0.954
  360   2HB   CYS  50           HB1      CYS  50  -8.342   4.138   0.475
  361    HG   CYS  50           HG       CYS  50  -5.774   5.350   0.133
  362    H    GLN  51           HN       GLN  51  -7.652   6.375   3.936
  363    HA   GLN  51           HA       GLN  51 -10.493   7.173   3.790
  364   1HB   GLN  51           HB2      GLN  51  -8.014   8.317   5.113
  365   2HB   GLN  51           HB1      GLN  51  -9.635   8.980   5.318
  366   1HG   GLN  51           HG2      GLN  51 -10.250   6.498   5.959
  367   2HG   GLN  51           HG1      GLN  51  -8.522   6.370   6.293
  368   1HE2  GLN  51          1HE2      GLN  51 -10.950   8.991   6.837
  369   2HE2  GLN  51          2HE2      GLN  51 -10.570   9.198   8.479
  370    H    ILE  52           HN       ILE  52  -7.762   7.601   1.865
  371    HA   ILE  52           HA       ILE  52  -8.160  10.392   1.108
  372    HB   ILE  52           HB       ILE  52  -6.598   8.032   0.035
  373   1HG1  ILE  52          2HG1      ILE  52  -5.876   9.148   2.166
  374   2HG1  ILE  52          1HG1      ILE  52  -4.684   9.285   0.872
  375   1HG2  ILE  52          1HG2      ILE  52  -6.893  10.830  -1.066
  376   2HG2  ILE  52          3HG2      ILE  52  -5.451   9.862  -1.372
  377   3HG2  ILE  52          2HG2      ILE  52  -7.027   9.296  -1.927
  378   1HD1  ILE  52          2HD1      ILE  52  -6.515  11.483   0.662
  379   2HD1  ILE  52          1HD1      ILE  52  -5.929  11.395   2.323
  380   3HD1  ILE  52          3HD1      ILE  52  -4.782  11.528   0.990
  381    H    CYS  53           HN       CYS  53  -8.977   7.224  -0.324
  382    HA   CYS  53           HA       CYS  53 -10.842   8.663  -2.184
  383   1HB   CYS  53           HB2      CYS  53 -10.388   6.567  -3.636
  384   2HB   CYS  53           HB1      CYS  53  -9.092   7.752  -3.501
  385    HG   CYS  53           HG       CYS  53  -7.758   6.166  -2.041
  386    H    GLY  54           HN       GLY  54 -10.476   6.242   0.253
  387   1HA   GLY  54           HA1      GLY  54 -13.376   5.682   0.102
  388   2HA   GLY  54           HA2      GLY  54 -12.316   5.274   1.449
  389    H    VAL  55           HN       VAL  55 -10.295   3.886   0.030
  390    HA   VAL  55           HA       VAL  55 -11.807   1.582  -1.159
  391    HB   VAL  55           HB       VAL  55  -8.901   2.404  -1.471
  392   1HG1  VAL  55          2HG1      VAL  55 -10.652   0.369  -2.878
  393   2HG1  VAL  55          1HG1      VAL  55  -9.060   0.860  -3.456
  394   3HG1  VAL  55          3HG1      VAL  55  -9.220   0.043  -1.902
  395   1HG2  VAL  55          1HG2      VAL  55 -10.675   4.015  -2.382
  396   2HG2  VAL  55          3HG2      VAL  55  -9.510   3.402  -3.558
  397   3HG2  VAL  55          2HG2      VAL  55 -11.135   2.720  -3.488
  398    H    VAL  56           HN       VAL  56 -11.808  -0.259   0.081
  399    HA   VAL  56           HA       VAL  56 -10.529  -0.440   2.630
  400    HB   VAL  56           HB       VAL  56 -11.691  -2.492   0.726
  401   1HG1  VAL  56          2HG1      VAL  56 -10.123  -2.884   3.089
  402   2HG1  VAL  56          1HG1      VAL  56 -11.790  -3.334   3.451
  403   3HG1  VAL  56          3HG1      VAL  56 -10.941  -4.101   2.108
  404   1HG2  VAL  56          3HG2      VAL  56 -12.756  -1.011   3.149
  405   2HG2  VAL  56          2HG2      VAL  56 -13.335  -0.888   1.488
  406   3HG2  VAL  56          1HG2      VAL  56 -13.582  -2.377   2.400
  407    H    TYR  57           HN       TYR  57  -8.654  -1.576   3.277
  408    HA   TYR  57           HA       TYR  57  -6.458  -1.664   1.424
  409   1HB   TYR  57           HB2      TYR  57  -6.851  -2.890   4.169
  410   2HB   TYR  57           HB1      TYR  57  -5.293  -2.624   3.381
  411    HD1  TYR  57           HD1      TYR  57  -5.738  -0.027   2.066
  412    HD2  TYR  57           HD2      TYR  57  -6.847  -1.365   5.990
  413    HE1  TYR  57           HE1      TYR  57  -5.719   2.311   2.863
  414    HE2  TYR  57           HE2      TYR  57  -6.828   0.979   6.795
  415    HH   TYR  57           HH       TYR  57  -5.779   3.128   6.165
  416    H    ASN  58           HN       ASN  58  -8.578  -4.154   2.796
  417    HA   ASN  58           HA       ASN  58  -8.821  -6.445   2.244
  418   1HB   ASN  58           HB2      ASN  58  -8.945  -4.764   0.001
  419   2HB   ASN  58           HB1      ASN  58  -7.916  -6.105  -0.504
  420   1HD2  ASN  58          1HD2      ASN  58  -9.133  -7.753  -1.432
  421   2HD2  ASN  58          2HD2      ASN  58 -10.700  -8.199  -0.955
  422    H    THR  59           HN       THR  59  -7.094  -7.437   3.388
  423    HA   THR  59           HA       THR  59  -4.626  -7.952   1.763
  424    HB   THR  59           HB       THR  59  -3.423  -7.844   3.971
  425    HG1  THR  59           HG1      THR  59  -5.140  -8.233   5.344
  426   1HG2  THR  59          3HG2      THR  59  -4.797  -5.587   2.637
  427   2HG2  THR  59          2HG2      THR  59  -4.151  -5.240   4.241
  428   3HG2  THR  59          1HG2      THR  59  -3.081  -5.825   2.967
  429    H    ARG  60           HN       ARG  60  -4.022 -10.109   1.707
  430    HA   ARG  60           HA       ARG  60  -4.744 -12.029   3.761
  431   1HB   ARG  60           HB2      ARG  60  -6.595 -11.397   1.596
  432   2HB   ARG  60           HB1      ARG  60  -6.160 -13.106   1.597
  433   1HG   ARG  60           HG2      ARG  60  -6.786 -11.880   4.237
  434   2HG   ARG  60           HG1      ARG  60  -8.140 -12.134   3.134
  435   1HD   ARG  60           HD2      ARG  60  -8.152 -14.263   3.968
  436   2HD   ARG  60           HD1      ARG  60  -6.741 -14.516   2.920
  437    HE   ARG  60           HE       ARG  60  -6.625 -13.857   5.822
  438   1HH1  ARG  60          1HH1      ARG  60  -4.284 -12.862   5.789
  439   2HH1  ARG  60          2HH1      ARG  60  -3.116 -13.993   5.195
  440   1HH2  ARG  60          1HH2      ARG  60  -5.479 -16.091   3.770
  441   2HH2  ARG  60          2HH2      ARG  60  -3.791 -15.820   4.051

  No H/Q in entry =         441
  Start of MODEL   23
    1    H1   MET   1           HT2      MET   1 -23.179 -10.526  -4.232
    2    H2   MET   1           HT1      MET   1 -23.800  -8.987  -3.866
    3    H3   MET   1           HT3      MET   1 -24.819 -10.342  -3.829
    4    HA   MET   1           HA       MET   1 -24.840 -10.559  -6.152
    5   1HB   MET   1           HB2      MET   1 -25.439  -8.141  -4.759
    6   2HB   MET   1           HB1      MET   1 -24.840  -7.699  -6.359
    7   1HG   MET   1           HG2      MET   1 -26.654  -8.570  -7.416
    8   2HG   MET   1           HG1      MET   1 -26.720  -9.972  -6.346
    9   1HE   MET   1           HE1      MET   1 -27.366  -6.323  -6.918
   10   2HE   MET   1           HE3      MET   1 -28.408  -5.775  -5.597
   11   3HE   MET   1           HE2      MET   1 -26.702  -6.100  -5.301
   12    H    GLU   2           HN       GLU   2 -24.115  -8.781  -8.120
   13    HA   GLU   2           HA       GLU   2 -21.506  -9.507  -8.872
   14   1HB   GLU   2           HB2      GLU   2 -23.636  -7.733  -9.701
   15   2HB   GLU   2           HB1      GLU   2 -22.070  -6.969  -9.977
   16   1HG   GLU   2           HG2      GLU   2 -21.368  -9.233 -11.013
   17   2HG   GLU   2           HG1      GLU   2 -23.095  -9.587 -11.070
   18    H    ASP   3           HN       ASP   3 -22.345  -6.156  -8.005
   19    HA   ASP   3           HA       ASP   3 -21.035  -4.483  -6.962
   20   1HB   ASP   3           HB2      ASP   3 -21.385  -6.693  -5.334
   21   2HB   ASP   3           HB1      ASP   3 -19.640  -6.440  -5.270
   22    H    GLU   4           HN       GLU   4 -18.414  -4.766  -5.828
   23    HA   GLU   4           HA       GLU   4 -16.809  -5.284  -8.310
   24   1HB   GLU   4           HB2      GLU   4 -15.281  -3.554  -7.230
   25   2HB   GLU   4           HB1      GLU   4 -16.862  -2.949  -7.725
   26   1HG   GLU   4           HG2      GLU   4 -17.528  -2.570  -5.583
   27   2HG   GLU   4           HG1      GLU   4 -16.777  -4.052  -4.988
   28    H    ASP   5           HN       ASP   5 -14.512  -5.955  -7.831
   29    HA   ASP   5           HA       ASP   5 -14.470  -8.128  -5.874
   30   1HB   ASP   5           HB2      ASP   5 -12.324  -8.593  -6.904
   31   2HB   ASP   5           HB1      ASP   5 -13.440  -8.113  -8.183
   32    H    VAL   6           HN       VAL   6 -12.488  -8.287  -4.377
   33    HA   VAL   6           HA       VAL   6 -12.171  -5.693  -2.936
   34    HB   VAL   6           HB       VAL   6 -11.818  -8.614  -2.215
   35   1HG1  VAL   6          3HG1      VAL   6 -10.082  -7.215  -1.112
   36   2HG1  VAL   6          2HG1      VAL   6 -11.355  -6.178  -0.469
   37   3HG1  VAL   6          1HG1      VAL   6 -11.246  -7.862   0.044
   38   1HG2  VAL   6          3HG2      VAL   6 -14.133  -7.592  -2.350
   39   2HG2  VAL   6          2HG2      VAL   6 -13.707  -8.231  -0.763
   40   3HG2  VAL   6          1HG2      VAL   6 -13.650  -6.494  -1.058
   41    HA   PRO   7           HA       PRO   7  -7.986  -5.511  -4.357
   42   1HB   PRO   7           HB2      PRO   7  -7.102  -3.600  -2.611
   43   2HB   PRO   7           HB1      PRO   7  -8.131  -3.223  -4.008
   44   1HG   PRO   7           HG2      PRO   7  -8.866  -3.534  -1.143
   45   2HG   PRO   7           HG1      PRO   7  -9.463  -2.374  -2.341
   46   1HD   PRO   7           HD2      PRO   7 -10.850  -4.594  -1.578
   47   2HD   PRO   7           HD1      PRO   7 -11.010  -3.842  -3.181
   48    H    VAL   8           HN       VAL   8  -5.796  -5.952  -3.458
   49    HA   VAL   8           HA       VAL   8  -5.810  -7.183  -0.737
   50    HB   VAL   8           HB       VAL   8  -4.513  -8.476  -3.138
   51   1HG1  VAL   8          1HG1      VAL   8  -3.949  -9.065  -0.698
   52   2HG1  VAL   8          3HG1      VAL   8  -5.576  -9.741  -0.609
   53   3HG1  VAL   8          2HG1      VAL   8  -4.407 -10.402  -1.753
   54   1HG2  VAL   8          2HG2      VAL   8  -7.327  -8.862  -2.072
   55   2HG2  VAL   8          1HG2      VAL   8  -6.882  -8.289  -3.678
   56   3HG2  VAL   8          3HG2      VAL   8  -6.539  -9.954  -3.210
   57    H    CYS   9           HN       CYS   9  -3.907  -6.877   0.388
   58    HA   CYS   9           HA       CYS   9  -2.029  -4.891  -0.529
   59   1HB   CYS   9           HB2      CYS   9  -2.564  -5.215   1.815
   60   2HB   CYS   9           HB1      CYS   9  -2.055  -6.901   1.745
   61    H    TRP  10           HN       TRP  10  -0.418  -5.263  -1.988
   62    HA   TRP  10           HA       TRP  10   0.310  -7.882  -2.938
   63   1HB   TRP  10           HB2      TRP  10   1.985  -6.556  -4.202
   64   2HB   TRP  10           HB1      TRP  10   0.393  -5.795  -4.245
   65    HD1  TRP  10           HD1      TRP  10   0.076  -3.507  -3.007
   66    HE1  TRP  10           HE1      TRP  10   1.724  -1.850  -1.917
   67    HE3  TRP  10           HE3      TRP  10   4.278  -6.407  -2.856
   68    HZ2  TRP  10           HZ2      TRP  10   4.462  -1.765  -1.092
   69    HZ3  TRP  10           HZ3      TRP  10   6.389  -5.515  -1.915
   70    HH2  TRP  10           HH2      TRP  10   6.486  -3.200  -1.032
   71    H    ILE  11           HN       ILE  11   1.264  -6.219  -0.117
   72    HA   ILE  11           HA       ILE  11   4.016  -7.241  -0.033
   73    HB   ILE  11           HB       ILE  11   2.334  -6.043   2.187
   74   1HG1  ILE  11          2HG1      ILE  11   3.820  -4.724  -0.104
   75   2HG1  ILE  11          1HG1      ILE  11   2.117  -4.542   0.316
   76   1HG2  ILE  11          2HG2      ILE  11   5.301  -6.220   1.597
   77   2HG2  ILE  11          1HG2      ILE  11   4.628  -5.144   2.822
   78   3HG2  ILE  11          3HG2      ILE  11   4.437  -6.889   2.981
   79   1HD1  ILE  11          1HD1      ILE  11   2.972  -3.645   2.586
   80   2HD1  ILE  11          3HD1      ILE  11   4.531  -3.476   1.779
   81   3HD1  ILE  11          2HD1      ILE  11   3.129  -2.588   1.182
   82    H    CYS  12           HN       CYS  12   1.086  -7.825   1.976
   83    HA   CYS  12           HA       CYS  12   2.330 -10.375   2.895
   84   1HB   CYS  12           HB2      CYS  12   0.695 -10.195   4.696
   85   2HB   CYS  12           HB1      CYS  12   1.496  -8.636   4.496
   86    H    ASN  13           HN       ASN  13   0.187  -9.339   0.520
   87    HA   ASN  13           HA       ASN  13  -1.281 -10.562  -0.877
   88   1HB   ASN  13           HB2      ASN  13   0.692 -12.249  -0.114
   89   2HB   ASN  13           HB1      ASN  13  -0.692 -13.077   0.601
   90   1HD2  ASN  13          1HD2      ASN  13   0.311 -11.582  -2.524
   91   2HD2  ASN  13          2HD2      ASN  13  -0.537 -12.687  -3.494
   92    H    GLU  14           HN       GLU  14  -2.577  -9.263   1.118
   93    HA   GLU  14           HA       GLU  14  -4.656 -11.237   1.960
   94   1HB   GLU  14           HB2      GLU  14  -3.197 -10.948   3.868
   95   2HB   GLU  14           HB1      GLU  14  -3.197  -9.196   3.662
   96   1HG   GLU  14           HG2      GLU  14  -4.925  -9.140   5.109
   97   2HG   GLU  14           HG1      GLU  14  -5.901  -9.852   3.824
   98    H    GLU  15           HN       GLU  15  -6.691 -10.451   1.550
   99    HA   GLU  15           HA       GLU  15  -7.149  -8.035   0.120
  100   1HB   GLU  15           HB2      GLU  15  -8.714 -10.131   1.538
  101   2HB   GLU  15           HB1      GLU  15  -9.560  -8.618   1.210
  102   1HG   GLU  15           HG2      GLU  15  -8.955  -8.786  -1.172
  103   2HG   GLU  15           HG1      GLU  15  -8.098 -10.295  -0.852
  104    H    LEU  16           HN       LEU  16  -7.919  -6.031   0.768
  105    HA   LEU  16           HA       LEU  16  -7.976  -5.504   3.711
  106   1HB   LEU  16           HB2      LEU  16  -6.658  -3.489   3.329
  107   2HB   LEU  16           HB1      LEU  16  -5.811  -4.871   2.645
  108    HG   LEU  16           HG       LEU  16  -7.581  -3.041   1.004
  109   1HD1  LEU  16          3HD1      LEU  16  -4.627  -2.966   1.611
  110   2HD1  LEU  16          2HD1      LEU  16  -5.301  -2.224   0.161
  111   3HD1  LEU  16          1HD1      LEU  16  -5.796  -1.655   1.752
  112   1HD2  LEU  16          2HD2      LEU  16  -5.985  -5.463   0.506
  113   2HD2  LEU  16          1HD2      LEU  16  -7.286  -4.757  -0.453
  114   3HD2  LEU  16          3HD2      LEU  16  -5.641  -4.141  -0.613
  115    H    GLY  17           HN       GLY  17  -9.446  -5.103   0.643
  116   1HA   GLY  17           HA1      GLY  17 -11.733  -3.765   1.853
  117   2HA   GLY  17           HA2      GLY  17 -11.622  -4.331   0.191
  118    H    ASN  18           HN       ASN  18  -9.252  -2.156   1.634
  119    HA   ASN  18           HA       ASN  18  -8.751  -0.285  -0.194
  120   1HB   ASN  18           HB2      ASN  18 -11.026   0.018  -0.888
  121   2HB   ASN  18           HB1      ASN  18 -11.587   0.181   0.778
  122   1HD2  ASN  18          1HD2      ASN  18 -12.164   2.334   1.115
  123   2HD2  ASN  18          2HD2      ASN  18 -11.283   3.677   0.568
  124    H    GLU  19           HN       GLU  19  -7.382  -0.723   1.973
  125    HA   GLU  19           HA       GLU  19  -8.020   0.794   4.332
  126   1HB   GLU  19           HB2      GLU  19  -6.097  -1.023   3.457
  127   2HB   GLU  19           HB1      GLU  19  -5.173   0.455   3.722
  128   1HG   GLU  19           HG2      GLU  19  -6.935  -1.000   5.706
  129   2HG   GLU  19           HG1      GLU  19  -5.196  -0.719   5.815
  130    H    ARG  20           HN       ARG  20  -8.170   3.019   4.370
  131    HA   ARG  20           HA       ARG  20  -7.241   4.736   2.285
  132   1HB   ARG  20           HB2      ARG  20  -8.983   5.014   4.223
  133   2HB   ARG  20           HB1      ARG  20  -7.598   5.588   5.153
  134   1HG   ARG  20           HG2      ARG  20  -7.661   7.586   4.118
  135   2HG   ARG  20           HG1      ARG  20  -7.608   6.813   2.534
  136   1HD   ARG  20           HD2      ARG  20  -9.684   8.157   2.810
  137   2HD   ARG  20           HD1      ARG  20 -10.065   6.430   2.653
  138    HE   ARG  20           HE       ARG  20 -10.634   6.377   4.970
  139   1HH1  ARG  20          1HH1      ARG  20  -8.746   7.523   6.604
  140   2HH1  ARG  20          2HH1      ARG  20  -9.282   9.134   6.950
  141   1HH2  ARG  20          1HH2      ARG  20 -11.511   9.247   4.297
  142   2HH2  ARG  20          2HH2      ARG  20 -10.847  10.110   5.644
  143    H    PHE  21           HN       PHE  21  -5.024   4.388   1.861
  144    HA   PHE  21           HA       PHE  21  -3.160   5.589   3.832
  145   1HB   PHE  21           HB2      PHE  21  -3.106   3.285   4.458
  146   2HB   PHE  21           HB1      PHE  21  -3.135   2.753   2.778
  147    HD1  PHE  21           HD1      PHE  21  -1.049   5.632   3.593
  148    HD2  PHE  21           HD2      PHE  21  -1.129   1.350   3.276
  149    HE1  PHE  21           HE1      PHE  21   1.432   5.586   3.553
  150    HE2  PHE  21           HE2      PHE  21   1.344   1.305   3.238
  151    HZ   PHE  21           HZ       PHE  21   2.629   3.420   3.373
  152    H    ARG  22           HN       ARG  22  -2.666   7.262   2.348
  153    HA   ARG  22           HA       ARG  22  -2.178   6.780  -0.471
  154   1HB   ARG  22           HB2      ARG  22  -1.558   9.063   1.430
  155   2HB   ARG  22           HB1      ARG  22  -1.363   9.163  -0.320
  156   1HG   ARG  22           HG2      ARG  22  -3.752   8.661  -0.628
  157   2HG   ARG  22           HG1      ARG  22  -3.957   8.533   1.120
  158   1HD   ARG  22           HD2      ARG  22  -3.235  10.901   1.368
  159   2HD   ARG  22           HD1      ARG  22  -3.107  11.027  -0.398
  160    HE   ARG  22           HE       ARG  22  -5.687  10.007   0.576
  161   1HH1  ARG  22          1HH1      ARG  22  -7.126  11.043  -1.025
  162   2HH1  ARG  22          2HH1      ARG  22  -7.014  12.768  -1.134
  163   1HH2  ARG  22          1HH2      ARG  22  -4.089  12.959   0.719
  164   2HH2  ARG  22          2HH2      ARG  22  -5.294  13.852  -0.146
  165    H    ALA  23           HN       ALA  23  -0.528   5.107  -0.495
  166    HA   ALA  23           HA       ALA  23   2.140   5.979   0.543
  167   1HB   ALA  23           HB1      ALA  23   0.681   3.702   1.012
  168   2HB   ALA  23           HB3      ALA  23   1.740   3.184  -0.301
  169   3HB   ALA  23           HB2      ALA  23   2.432   3.817   1.193
  170    H    CYS  24           HN       CYS  24   0.387   5.834  -2.291
  171    HA   CYS  24           HA       CYS  24   2.652   6.334  -3.974
  172   1HB   CYS  24           HB2      CYS  24   2.443   3.704  -3.215
  173   2HB   CYS  24           HB1      CYS  24   1.594   3.705  -4.758
  174    H    GLY  25           HN       GLY  25   1.676   5.143  -6.357
  175   1HA   GLY  25           HA1      GLY  25  -0.083   6.985  -7.414
  176   2HA   GLY  25           HA2      GLY  25  -1.150   5.775  -6.697
  177    H    CYS  26           HN       CYS  26   0.976   3.673  -7.262
  178    HA   CYS  26           HA       CYS  26   1.584   3.444 -10.006
  179   1HB   CYS  26           HB2      CYS  26   0.763   1.267  -8.059
  180   2HB   CYS  26           HB1      CYS  26   1.778   1.060  -9.485
  181    H    THR  27           HN       THR  27   0.368   1.141 -10.971
  182    HA   THR  27           HA       THR  27  -2.522   1.921 -11.219
  183    HB   THR  27           HB       THR  27  -2.252   1.250 -13.616
  184    HG1  THR  27           HG1      THR  27  -0.209   0.023 -12.828
  185   1HG2  THR  27          1HG2      THR  27  -1.751   3.617 -12.578
  186   2HG2  THR  27          3HG2      THR  27  -0.088   3.241 -13.029
  187   3HG2  THR  27          2HG2      THR  27  -1.346   3.294 -14.263
  188    H    GLY  28           HN       GLY  28  -1.057  -0.219  -9.579
  189   1HA   GLY  28           HA1      GLY  28  -1.073  -2.786 -10.323
  190   2HA   GLY  28           HA2      GLY  28  -2.801  -2.455 -10.441
  191    H    GLU  29           HN       GLU  29  -1.525  -4.316  -8.619
  192    HA   GLU  29           HA       GLU  29  -2.939  -4.051  -6.264
  193   1HB   GLU  29           HB2      GLU  29  -1.280  -5.571  -5.334
  194   2HB   GLU  29           HB1      GLU  29  -1.486  -5.953  -7.045
  195   1HG   GLU  29           HG2      GLU  29   0.491  -4.475  -7.540
  196   2HG   GLU  29           HG1      GLU  29   0.743  -4.317  -5.801
  197    H    LEU  30           HN       LEU  30   0.292  -2.652  -6.914
  198    HA   LEU  30           HA       LEU  30   0.937  -1.667  -4.387
  199   1HB   LEU  30           HB2      LEU  30   1.948  -1.494  -6.894
  200   2HB   LEU  30           HB1      LEU  30   1.360   0.158  -6.690
  201    HG   LEU  30           HG       LEU  30   3.690  -0.045  -5.897
  202   1HD1  LEU  30          3HD1      LEU  30   1.910   1.430  -4.765
  203   2HD1  LEU  30          2HD1      LEU  30   1.872   0.203  -3.498
  204   3HD1  LEU  30          1HD1      LEU  30   3.365   1.084  -3.829
  205   1HD2  LEU  30          3HD2      LEU  30   2.636  -2.482  -4.764
  206   2HD2  LEU  30          2HD2      LEU  30   4.316  -1.947  -4.852
  207   3HD2  LEU  30          1HD2      LEU  30   3.313  -1.481  -3.478
  208    H    GLU  31           HN       GLU  31  -1.649  -0.617  -6.483
  209    HA   GLU  31           HA       GLU  31  -2.036   2.031  -5.439
  210   1HB   GLU  31           HB2      GLU  31  -3.627  -0.055  -6.884
  211   2HB   GLU  31           HB1      GLU  31  -4.504   1.301  -6.176
  212   1HG   GLU  31           HG2      GLU  31  -2.475   2.647  -7.353
  213   2HG   GLU  31           HG1      GLU  31  -2.589   1.269  -8.448
  214    H    ASN  32           HN       ASN  32  -3.433  -1.135  -4.504
  215    HA   ASN  32           HA       ASN  32  -4.476   0.121  -1.999
  216   1HB   ASN  32           HB2      ASN  32  -5.056  -2.408  -3.564
  217   2HB   ASN  32           HB1      ASN  32  -5.704  -2.139  -1.946
  218   1HD2  ASN  32          1HD2      ASN  32  -6.463  -1.748  -5.185
  219   2HD2  ASN  32          2HD2      ASN  32  -7.602  -0.496  -5.045
  220    H    VAL  33           HN       VAL  33  -3.167  -0.199  -0.218
  221    HA   VAL  33           HA       VAL  33  -1.832  -2.833   0.093
  222    HB   VAL  33           HB       VAL  33  -0.227  -1.489  -1.123
  223   1HG1  VAL  33          3HG1      VAL  33  -1.261   0.713  -0.571
  224   2HG1  VAL  33          2HG1      VAL  33  -0.599   0.586   1.058
  225   3HG1  VAL  33          1HG1      VAL  33   0.486   0.710  -0.327
  226   1HG2  VAL  33          1HG2      VAL  33   0.569  -2.871   0.816
  227   2HG2  VAL  33          3HG2      VAL  33   1.610  -1.491   0.471
  228   3HG2  VAL  33          2HG2      VAL  33   0.481  -1.428   1.825
  229    H    HIS  34           HN       HIS  34  -1.683  -3.435   2.218
  230    HA   HIS  34           HA       HIS  34  -3.144  -2.105   4.270
  231   1HB   HIS  34           HB2      HIS  34  -1.120  -4.280   4.007
  232   2HB   HIS  34           HB1      HIS  34  -1.507  -3.716   5.633
  233    HD2  HIS  34           HD2      HIS  34  -4.793  -3.346   5.228
  234    HE1  HIS  34           HE1      HIS  34  -4.703  -7.399   4.011
  235    HE2  HIS  34           HE2      HIS  34  -6.163  -5.506   4.807
  236    H    ARG  35           HN       ARG  35  -2.548  -0.293   5.436
  237    HA   ARG  35           HA       ARG  35   0.041   0.961   5.146
  238   1HB   ARG  35           HB2      ARG  35  -2.118   2.113   5.584
  239   2HB   ARG  35           HB1      ARG  35  -2.179   1.357   7.177
  240   1HG   ARG  35           HG2      ARG  35  -0.430   2.640   8.007
  241   2HG   ARG  35           HG1      ARG  35   0.269   2.906   6.409
  242   1HD   ARG  35           HD2      ARG  35  -0.880   4.843   6.186
  243   2HD   ARG  35           HD1      ARG  35  -2.410   4.010   6.527
  244    HE   ARG  35           HE       ARG  35  -0.759   5.424   8.494
  245   1HH1  ARG  35          1HH1      ARG  35  -3.679   5.611   8.627
  246   2HH1  ARG  35          2HH1      ARG  35  -4.095   4.504   9.893
  247   1HH2  ARG  35          1HH2      ARG  35  -1.040   2.864   9.823
  248   2HH2  ARG  35          2HH2      ARG  35  -2.600   2.948  10.570
  249    H    SER  36           HN       SER  36  -1.140  -1.547   7.182
  250    HA   SER  36           HA       SER  36   0.621  -1.087   9.451
  251   1HB   SER  36           HB2      SER  36  -1.621  -2.400   9.199
  252   2HB   SER  36           HB1      SER  36  -0.597  -3.720   8.641
  253    HG   SER  36           HG       SER  36  -0.416  -4.063  10.720
  254    H    CYS  37           HN       CYS  37   0.641  -3.638   6.909
  255    HA   CYS  37           HA       CYS  37   3.376  -4.393   7.644
  256   1HB   CYS  37           HB2      CYS  37   3.055  -5.933   5.610
  257   2HB   CYS  37           HB1      CYS  37   1.970  -6.173   6.970
  258    HG   CYS  37           HG       CYS  37   1.099  -5.454   4.196
  259    H    LEU  38           HN       LEU  38   1.942  -2.281   5.218
  260    HA   LEU  38           HA       LEU  38   4.280  -2.275   3.475
  261   1HB   LEU  38           HB2      LEU  38   2.184  -1.659   2.538
  262   2HB   LEU  38           HB1      LEU  38   1.839  -0.527   3.845
  263    HG   LEU  38           HG       LEU  38   3.458   1.033   3.065
  264   1HD1  LEU  38          3HD1      LEU  38   4.526  -1.346   1.587
  265   2HD1  LEU  38          2HD1      LEU  38   4.824   0.263   0.929
  266   3HD1  LEU  38          1HD1      LEU  38   5.390  -0.146   2.549
  267   1HD2  LEU  38          1HD2      LEU  38   1.326   0.416   1.538
  268   2HD2  LEU  38          3HD2      LEU  38   2.471   1.679   1.090
  269   3HD2  LEU  38          2HD2      LEU  38   2.607   0.073   0.375
  270    H    SER  39           HN       SER  39   2.959   0.258   5.652
  271    HA   SER  39           HA       SER  39   5.115   2.044   5.590
  272   1HB   SER  39           HB2      SER  39   2.811   2.198   6.699
  273   2HB   SER  39           HB1      SER  39   3.511   1.316   8.053
  274    HG   SER  39           HG       SER  39   3.767   3.473   8.479
  275    H    THR  40           HN       THR  40   4.681  -0.817   7.695
  276    HA   THR  40           HA       THR  40   7.203  -0.411   9.097
  277    HB   THR  40           HB       THR  40   5.067  -1.621   9.858
  278    HG1  THR  40           HG1      THR  40   7.406  -3.189  10.058
  279   1HG2  THR  40          1HG2      THR  40   6.297  -3.791   8.136
  280   2HG2  THR  40          3HG2      THR  40   4.950  -4.017   9.253
  281   3HG2  THR  40          2HG2      THR  40   4.758  -2.984   7.837
  282    H    TRP  41           HN       TRP  41   6.114  -2.453   6.381
  283    HA   TRP  41           HA       TRP  41   8.449  -4.038   6.073
  284   1HB   TRP  41           HB2      TRP  41   6.518  -4.622   4.847
  285   2HB   TRP  41           HB1      TRP  41   6.287  -2.978   4.255
  286    HD1  TRP  41           HD1      TRP  41   8.586  -6.022   3.779
  287    HE1  TRP  41           HE1      TRP  41   9.647  -5.884   1.435
  288    HE3  TRP  41           HE3      TRP  41   6.865  -1.447   2.302
  289    HZ2  TRP  41           HZ2      TRP  41   9.750  -4.074  -0.776
  290    HZ3  TRP  41           HZ3      TRP  41   7.458  -0.541   0.072
  291    HH2  TRP  41           HH2      TRP  41   8.898  -1.848  -1.466
  292    H    LEU  42           HN       LEU  42   7.606  -1.043   4.263
  293    HA   LEU  42           HA       LEU  42  10.084  -0.684   2.961
  294   1HB   LEU  42           HB2      LEU  42   9.366   1.756   2.976
  295   2HB   LEU  42           HB1      LEU  42   8.141   0.629   2.397
  296    HG   LEU  42           HG       LEU  42   7.474   0.612   4.989
  297   1HD1  LEU  42          3HD1      LEU  42   9.114   3.072   4.565
  298   2HD1  LEU  42          2HD1      LEU  42   7.654   3.208   5.546
  299   3HD1  LEU  42          1HD1      LEU  42   8.929   2.083   6.013
  300   1HD2  LEU  42          1HD2      LEU  42   6.670   2.130   2.626
  301   2HD2  LEU  42          3HD2      LEU  42   5.664   1.325   3.829
  302   3HD2  LEU  42          2HD2      LEU  42   6.253   2.960   4.124
  303    H    THR  43           HN       THR  43   9.183  -0.080   6.296
  304    HA   THR  43           HA       THR  43  11.470   1.591   6.958
  305    HB   THR  43           HB       THR  43   9.406  -0.018   8.474
  306    HG1  THR  43           HG1      THR  43   9.232   2.401   9.159
  307   1HG2  THR  43          3HG2      THR  43  11.887   1.316   9.467
  308   2HG2  THR  43          2HG2      THR  43  10.419   1.472  10.432
  309   3HG2  THR  43          1HG2      THR  43  11.070  -0.127  10.069
  310    H    ILE  44           HN       ILE  44  10.684  -1.865   7.327
  311    HA   ILE  44           HA       ILE  44  13.210  -2.561   8.573
  312    HB   ILE  44           HB       ILE  44  11.138  -4.220   7.097
  313   1HG1  ILE  44          2HG1      ILE  44  11.339  -3.786  10.080
  314   2HG1  ILE  44          1HG1      ILE  44  10.395  -2.702   9.058
  315   1HG2  ILE  44          3HG2      ILE  44  13.600  -4.849   8.574
  316   2HG2  ILE  44          2HG2      ILE  44  12.186  -5.729   9.156
  317   3HG2  ILE  44          1HG2      ILE  44  12.668  -5.853   7.464
  318   1HD1  ILE  44          1HD1      ILE  44  10.027  -5.709   9.170
  319   2HD1  ILE  44          3HD1      ILE  44   9.021  -4.545  10.031
  320   3HD1  ILE  44          2HD1      ILE  44   9.034  -4.565   8.268
  321    H    SER  45           HN       SER  45  12.013  -2.359   5.262
  322    HA   SER  45           HA       SER  45  14.495  -3.606   4.196
  323   1HB   SER  45           HB2      SER  45  12.264  -4.222   3.306
  324   2HB   SER  45           HB1      SER  45  11.976  -2.538   2.874
  325    HG   SER  45           HG       SER  45  12.917  -3.081   1.073
  326    H    ARG  46           HN       ARG  46  13.237  -0.533   4.981
  327    HA   ARG  46           HA       ARG  46  14.169   1.622   4.700
  328   1HB   ARG  46           HB2      ARG  46  16.253  -0.305   4.284
  329   2HB   ARG  46           HB1      ARG  46  16.466   1.004   3.122
  330   1HG   ARG  46           HG2      ARG  46  15.879   2.441   5.345
  331   2HG   ARG  46           HG1      ARG  46  16.675   1.049   6.079
  332   1HD   ARG  46           HD2      ARG  46  18.478   2.513   5.623
  333   2HD   ARG  46           HD1      ARG  46  18.488   1.433   4.214
  334    HE   ARG  46           HE       ARG  46  16.843   3.902   4.056
  335   1HH1  ARG  46          1HH1      ARG  46  17.462   2.194   1.670
  336   2HH1  ARG  46          2HH1      ARG  46  18.746   3.078   0.916
  337   1HH2  ARG  46          1HH2      ARG  46  19.429   4.997   3.720
  338   2HH2  ARG  46          2HH2      ARG  46  19.859   4.664   2.075
  339    H    ASN  47           HN       ASN  47  12.227   1.725   3.152
  340    HA   ASN  47           HA       ASN  47  13.173   2.051   0.323
  341   1HB   ASN  47           HB2      ASN  47  10.748   0.890   1.612
  342   2HB   ASN  47           HB1      ASN  47  10.505   1.754   0.093
  343   1HD2  ASN  47          1HD2      ASN  47  10.177  -0.081  -1.277
  344   2HD2  ASN  47          2HD2      ASN  47  11.372  -1.255  -1.550
  345    H    THR  48           HN       THR  48  10.572   3.156   2.488
  346    HA   THR  48           HA       THR  48   9.800   5.315   3.008
  347    HB   THR  48           HB       THR  48  11.308   7.069   2.833
  348    HG1  THR  48           HG1      THR  48  11.371   7.285   0.644
  349   1HG2  THR  48          2HG2      THR  48  12.390   4.638   3.483
  350   2HG2  THR  48          1HG2      THR  48  13.495   5.193   2.225
  351   3HG2  THR  48          3HG2      THR  48  13.222   6.183   3.659
  352    H    ALA  49           HN       ALA  49  10.831   4.894  -0.399
  353    HA   ALA  49           HA       ALA  49   8.157   5.940  -1.193
  354   1HB   ALA  49           HB3      ALA  49  10.668   7.258  -1.326
  355   2HB   ALA  49           HB2      ALA  49  10.212   6.850  -2.981
  356   3HB   ALA  49           HB1      ALA  49   9.127   7.816  -1.979
  357    H    CYS  50           HN       CYS  50   7.267   4.747  -2.819
  358    HA   CYS  50           HA       CYS  50   8.286   2.275  -3.709
  359   1HB   CYS  50           HB2      CYS  50   5.962   2.878  -3.948
  360   2HB   CYS  50           HB1      CYS  50   6.371   4.278  -4.937
  361    HG   CYS  50           HG       CYS  50   6.892   2.754  -6.915
  362    H    GLN  51           HN       GLN  51   9.396   1.653  -5.645
  363    HA   GLN  51           HA       GLN  51  11.075   3.809  -6.825
  364   1HB   GLN  51           HB2      GLN  51  12.471   1.927  -7.526
  365   2HB   GLN  51           HB1      GLN  51  12.049   1.727  -5.826
  366   1HG   GLN  51           HG2      GLN  51  11.169  -0.283  -6.313
  367   2HG   GLN  51           HG1      GLN  51   9.970   0.517  -7.330
  368   1HE2  GLN  51          1HE2      GLN  51  12.683  -1.593  -7.382
  369   2HE2  GLN  51          2HE2      GLN  51  12.923  -1.610  -9.063
  370    H    ILE  52           HN       ILE  52   8.488   1.598  -7.637
  371    HA   ILE  52           HA       ILE  52   8.710   1.382 -10.432
  372    HB   ILE  52           HB       ILE  52   6.301   1.736  -8.622
  373   1HG1  ILE  52          2HG1      ILE  52   7.800  -0.183  -8.112
  374   2HG1  ILE  52          1HG1      ILE  52   6.229  -0.720  -8.709
  375   1HG2  ILE  52          3HG2      ILE  52   6.566   1.226 -11.544
  376   2HG2  ILE  52          2HG2      ILE  52   5.375   0.259 -10.673
  377   3HG2  ILE  52          1HG2      ILE  52   5.266   2.019 -10.656
  378   1HD1  ILE  52          1HD1      ILE  52   7.453  -0.593 -11.060
  379   2HD1  ILE  52          3HD1      ILE  52   8.897  -0.788 -10.066
  380   3HD1  ILE  52          2HD1      ILE  52   7.628  -2.014 -10.030
  381    H    CYS  53           HN       CYS  53   7.059   3.971  -8.573
  382    HA   CYS  53           HA       CYS  53   7.282   5.695 -11.021
  383   1HB   CYS  53           HB2      CYS  53   5.188   6.782 -10.017
  384   2HB   CYS  53           HB1      CYS  53   4.984   5.149 -10.650
  385    HG   CYS  53           HG       CYS  53   5.364   5.699  -7.591
  386    H    GLY  54           HN       GLY  54   7.966   5.334  -7.649
  387   1HA   GLY  54           HA1      GLY  54   9.425   7.887  -7.679
  388   2HA   GLY  54           HA2      GLY  54   9.501   6.666  -6.412
  389    H    VAL  55           HN       VAL  55   6.904   6.415  -5.578
  390    HA   VAL  55           HA       VAL  55   6.148   9.215  -4.799
  391    HB   VAL  55           HB       VAL  55   4.370   6.759  -4.863
  392   1HG1  VAL  55          2HG1      VAL  55   4.072   9.420  -3.898
  393   2HG1  VAL  55          1HG1      VAL  55   3.076   9.280  -5.345
  394   3HG1  VAL  55          3HG1      VAL  55   2.837   8.168  -3.998
  395   1HG2  VAL  55          3HG2      VAL  55   5.455   7.512  -7.122
  396   2HG2  VAL  55          2HG2      VAL  55   3.709   7.277  -7.063
  397   3HG2  VAL  55          1HG2      VAL  55   4.383   8.905  -6.981
  398    H    VAL  56           HN       VAL  56   6.728   9.578  -2.692
  399    HA   VAL  56           HA       VAL  56   7.649   7.667  -0.848
  400    HB   VAL  56           HB       VAL  56   6.143  10.202  -0.173
  401   1HG1  VAL  56          3HG1      VAL  56   7.804   8.289   1.255
  402   2HG1  VAL  56          2HG1      VAL  56   8.482   9.916   1.341
  403   3HG1  VAL  56          1HG1      VAL  56   6.834   9.617   1.894
  404   1HG2  VAL  56          1HG2      VAL  56   8.808   9.751  -1.481
  405   2HG2  VAL  56          3HG2      VAL  56   7.620  11.020  -1.780
  406   3HG2  VAL  56          2HG2      VAL  56   8.638  11.086  -0.342
  407    H    TYR  57           HN       TYR  57   6.642   6.616   0.948
  408    HA   TYR  57           HA       TYR  57   3.919   5.716   0.461
  409   1HB   TYR  57           HB2      TYR  57   5.872   5.306   2.742
  410   2HB   TYR  57           HB1      TYR  57   4.399   4.366   2.492
  411    HD1  TYR  57           HD1      TYR  57   4.136   3.528  -0.071
  412    HD2  TYR  57           HD2      TYR  57   7.839   4.358   1.936
  413    HE1  TYR  57           HE1      TYR  57   5.332   2.080  -1.684
  414    HE2  TYR  57           HE2      TYR  57   9.039   2.905   0.324
  415    HH   TYR  57           HH       TYR  57   8.258   0.822  -1.204
  416    H    ASN  58           HN       ASN  58   5.451   8.051   2.600
  417    HA   ASN  58           HA       ASN  58   4.520   9.488   4.247
  418   1HB   ASN  58           HB2      ASN  58   3.474   9.949   1.846
  419   2HB   ASN  58           HB1      ASN  58   1.999   9.377   2.625
  420   1HD2  ASN  58          1HD2      ASN  58   4.505  11.907   2.767
  421   2HD2  ASN  58          2HD2      ASN  58   3.611  12.972   3.739
  422    H    THR  59           HN       THR  59   4.333   7.958   6.003
  423    HA   THR  59           HA       THR  59   1.566   6.853   6.375
  424    HB   THR  59           HB       THR  59   2.750   5.026   7.628
  425    HG1  THR  59           HG1      THR  59   4.626   6.127   8.158
  426   1HG2  THR  59          2HG2      THR  59   2.985   5.600   4.748
  427   2HG2  THR  59          1HG2      THR  59   4.134   4.403   5.344
  428   3HG2  THR  59          3HG2      THR  59   2.403   4.148   5.564
  429    H    ARG  60           HN       ARG  60   0.627   7.235   8.395
  430    HA   ARG  60           HA       ARG  60   2.133   8.055  10.735
  431   1HB   ARG  60           HB2      ARG  60   1.544  10.406  10.707
  432   2HB   ARG  60           HB1      ARG  60   2.295  10.025   9.156
  433   1HG   ARG  60           HG2      ARG  60  -0.035   9.656   8.232
  434   2HG   ARG  60           HG1      ARG  60  -0.661  10.320   9.741
  435   1HD   ARG  60           HD2      ARG  60   1.256  11.773   7.879
  436   2HD   ARG  60           HD1      ARG  60  -0.488  12.083   7.994
  437    HE   ARG  60           HE       ARG  60   0.650  12.160  10.621
  438   1HH1  ARG  60          1HH1      ARG  60  -1.113  14.165   8.938
  439   2HH1  ARG  60          2HH1      ARG  60  -0.140  15.589   9.092
  440   1HH2  ARG  60          1HH2      ARG  60   2.644  13.886  10.264
  441   2HH2  ARG  60          2HH2      ARG  60   1.985  15.432   9.842

  No H/Q in entry =         441
  Start of MODEL   24
    1    H1   MET   1           HT1      MET   1  15.662 -13.637  -6.253
    2    H2   MET   1           HT3      MET   1  15.860 -14.563  -4.846
    3    H3   MET   1           HT2      MET   1  16.034 -12.874  -4.781
    4    HA   MET   1           HA       MET   1  18.234 -13.388  -4.887
    5   1HB   MET   1           HB2      MET   1  16.984 -15.896  -5.841
    6   2HB   MET   1           HB1      MET   1  18.620 -15.608  -6.438
    7   1HG   MET   1           HG2      MET   1  18.637 -14.915  -3.692
    8   2HG   MET   1           HG1      MET   1  17.790 -16.458  -3.815
    9   1HE   MET   1           HE1      MET   1  20.494 -14.780  -3.104
   10   2HE   MET   1           HE3      MET   1  21.831 -15.939  -3.098
   11   3HE   MET   1           HE2      MET   1  21.631 -14.827  -4.450
   12    H    GLU   2           HN       GLU   2  16.386 -12.064  -6.968
   13    HA   GLU   2           HA       GLU   2  18.481 -11.803  -9.061
   14   1HB   GLU   2           HB2      GLU   2  17.144 -12.627 -10.750
   15   2HB   GLU   2           HB1      GLU   2  16.445 -13.533  -9.414
   16   1HG   GLU   2           HG2      GLU   2  14.626 -11.965  -9.199
   17   2HG   GLU   2           HG1      GLU   2  15.380 -10.851 -10.341
   18    H    ASP   3           HN       ASP   3  15.269 -10.702  -7.999
   19    HA   ASP   3           HA       ASP   3  14.366  -8.521  -7.847
   20   1HB   ASP   3           HB2      ASP   3  17.109  -8.536  -7.037
   21   2HB   ASP   3           HB1      ASP   3  16.809  -7.029  -7.903
   22    H    GLU   4           HN       GLU   4  14.118  -6.500  -9.122
   23    HA   GLU   4           HA       GLU   4  15.558  -6.304 -11.691
   24   1HB   GLU   4           HB2      GLU   4  12.655  -7.113 -11.392
   25   2HB   GLU   4           HB1      GLU   4  13.302  -6.460 -12.898
   26   1HG   GLU   4           HG2      GLU   4  15.152  -8.303 -12.565
   27   2HG   GLU   4           HG1      GLU   4  13.935  -9.060 -11.537
   28    H    ASP   5           HN       ASP   5  12.258  -5.208 -11.104
   29    HA   ASP   5           HA       ASP   5  13.278  -2.390 -11.032
   30   1HB   ASP   5           HB2      ASP   5  11.344  -3.779 -12.587
   31   2HB   ASP   5           HB1      ASP   5  10.457  -2.655 -11.556
   32    H    VAL   6           HN       VAL   6  11.377  -0.964  -9.900
   33    HA   VAL   6           HA       VAL   6  10.965  -2.221  -7.215
   34    HB   VAL   6           HB       VAL   6  11.156   0.631  -8.227
   35   1HG1  VAL   6          2HG1      VAL   6   9.546   0.273  -6.289
   36   2HG1  VAL   6          1HG1      VAL   6  10.934  -0.280  -5.353
   37   3HG1  VAL   6          3HG1      VAL   6  10.888   1.371  -5.968
   38   1HG2  VAL   6          3HG2      VAL   6  13.188  -1.059  -7.854
   39   2HG2  VAL   6          2HG2      VAL   6  13.313   0.637  -7.384
   40   3HG2  VAL   6          1HG2      VAL   6  12.953  -0.591  -6.170
   41    HA   PRO   7           HA       PRO   7   6.614  -2.218  -7.951
   42   1HB   PRO   7           HB2      PRO   7   5.699  -2.049  -5.391
   43   2HB   PRO   7           HB1      PRO   7   6.434  -3.530  -6.042
   44   1HG   PRO   7           HG2      PRO   7   7.657  -1.377  -4.389
   45   2HG   PRO   7           HG1      PRO   7   7.796  -3.136  -4.210
   46   1HD   PRO   7           HD2      PRO   7   9.740  -1.675  -5.354
   47   2HD   PRO   7           HD1      PRO   7   9.350  -3.313  -5.927
   48    H    VAL   8           HN       VAL   8   5.012  -0.695  -8.203
   49    HA   VAL   8           HA       VAL   8   5.617   2.082  -7.317
   50    HB   VAL   8           HB       VAL   8   3.588   1.355  -9.395
   51   1HG1  VAL   8          1HG1      VAL   8   3.956   3.707  -8.645
   52   2HG1  VAL   8          3HG1      VAL   8   5.638   3.584  -9.168
   53   3HG1  VAL   8          2HG1      VAL   8   4.333   3.477 -10.353
   54   1HG2  VAL   8          3HG2      VAL   8   6.593   1.148  -9.631
   55   2HG2  VAL   8          2HG2      VAL   8   5.367   0.015 -10.199
   56   3HG2  VAL   8          1HG2      VAL   8   5.601   1.552 -11.032
   57    H    CYS   9           HN       CYS   9   4.255   3.148  -5.963
   58    HA   CYS   9           HA       CYS   9   2.183   1.772  -4.541
   59   1HB   CYS   9           HB2      CYS   9   3.216   3.575  -3.444
   60   2HB   CYS   9           HB1      CYS   9   3.147   4.605  -4.868
   61    H    TRP  10           HN       TRP  10   0.396   1.073  -5.605
   62    HA   TRP  10           HA       TRP  10  -0.687   1.940  -8.034
   63   1HB   TRP  10           HB2      TRP  10  -2.680   0.722  -7.245
   64   2HB   TRP  10           HB1      TRP  10  -1.204  -0.132  -6.790
   65    HD1  TRP  10           HD1      TRP  10  -0.406   0.068  -4.210
   66    HE1  TRP  10           HE1      TRP  10  -1.779   0.509  -2.067
   67    HE3  TRP  10           HE3      TRP  10  -4.706   1.930  -6.257
   68    HZ2  TRP  10           HZ2      TRP  10  -4.343   1.518  -1.318
   69    HZ3  TRP  10           HZ3      TRP  10  -6.591   2.624  -4.806
   70    HH2  TRP  10           HH2      TRP  10  -6.415   2.420  -2.342
   71    H    ILE  11           HN       ILE  11  -0.827   3.645  -5.017
   72    HA   ILE  11           HA       ILE  11  -3.345   5.030  -5.574
   73    HB   ILE  11           HB       ILE  11  -1.148   5.756  -3.623
   74   1HG1  ILE  11          2HG1      ILE  11  -3.269   3.601  -3.534
   75   2HG1  ILE  11          1HG1      ILE  11  -1.541   3.440  -3.226
   76   1HG2  ILE  11          1HG2      ILE  11  -3.158   7.290  -4.055
   77   2HG2  ILE  11          3HG2      ILE  11  -4.148   6.017  -3.340
   78   3HG2  ILE  11          2HG2      ILE  11  -2.892   6.802  -2.381
   79   1HD1  ILE  11          3HD1      ILE  11  -1.823   4.922  -1.219
   80   2HD1  ILE  11          2HD1      ILE  11  -3.565   4.884  -1.494
   81   3HD1  ILE  11          1HD1      ILE  11  -2.702   3.397  -1.098
   82    H    CYS  12           HN       CYS  12   0.058   6.214  -5.358
   83    HA   CYS  12           HA       CYS  12  -0.771   8.562  -7.008
   84   1HB   CYS  12           HB2      CYS  12   1.308   9.539  -6.113
   85   2HB   CYS  12           HB1      CYS  12   0.316   8.896  -4.805
   86    H    ASN  13           HN       ASN  13   0.643   5.552  -7.438
   87    HA   ASN  13           HA       ASN  13   1.715   4.624  -9.334
   88   1HB   ASN  13           HB2      ASN  13   0.187   6.589 -10.282
   89   2HB   ASN  13           HB1      ASN  13   1.753   7.329 -10.618
   90   1HD2  ASN  13          1HD2      ASN  13  -0.539   5.068 -11.796
   91   2HD2  ASN  13          2HD2      ASN  13   0.435   4.353 -12.988
   92    H    GLU  14           HN       GLU  14   3.351   5.360  -7.212
   93    HA   GLU  14           HA       GLU  14   5.817   6.270  -8.643
   94   1HB   GLU  14           HB2      GLU  14   4.946   8.193  -7.445
   95   2HB   GLU  14           HB1      GLU  14   4.695   7.228  -5.989
   96   1HG   GLU  14           HG2      GLU  14   6.739   8.022  -5.381
   97   2HG   GLU  14           HG1      GLU  14   7.352   6.780  -6.473
   98    H    GLU  15           HN       GLU  15   7.510   4.853  -8.220
   99    HA   GLU  15           HA       GLU  15   7.123   2.506  -6.652
  100   1HB   GLU  15           HB2      GLU  15   9.656   2.335  -6.965
  101   2HB   GLU  15           HB1      GLU  15   8.685   2.448  -8.432
  102   1HG   GLU  15           HG2      GLU  15   9.648   4.382  -9.004
  103   2HG   GLU  15           HG1      GLU  15   9.318   5.072  -7.415
  104    H    LEU  16           HN       LEU  16   7.719   1.948  -4.616
  105    HA   LEU  16           HA       LEU  16   8.577   4.212  -2.862
  106   1HB   LEU  16           HB2      LEU  16   7.804   2.121  -1.190
  107   2HB   LEU  16           HB1      LEU  16   6.848   3.525  -1.592
  108    HG   LEU  16           HG       LEU  16   5.553   1.484  -1.904
  109   1HD1  LEU  16          2HD1      LEU  16   5.808   3.508  -3.782
  110   2HD1  LEU  16          1HD1      LEU  16   5.890   2.028  -4.741
  111   3HD1  LEU  16          3HD1      LEU  16   4.505   2.322  -3.692
  112   1HD2  LEU  16          1HD2      LEU  16   8.006   0.583  -3.168
  113   2HD2  LEU  16          3HD2      LEU  16   6.655  -0.357  -2.530
  114   3HD2  LEU  16          2HD2      LEU  16   6.587   0.279  -4.173
  115    H    GLY  17           HN       GLY  17   9.877   1.654  -4.436
  116   1HA   GLY  17           HA1      GLY  17  12.328   1.755  -2.893
  117   2HA   GLY  17           HA2      GLY  17  12.047   0.754  -4.309
  118    H    ASN  18           HN       ASN  18  10.018   0.612  -1.400
  119    HA   ASN  18           HA       ASN  18   9.682  -2.046  -1.005
  120   1HB   ASN  18           HB2      ASN  18  12.022  -2.552  -1.253
  121   2HB   ASN  18           HB1      ASN  18  12.491  -1.256  -0.152
  122   1HD2  ASN  18          1HD2      ASN  18   9.955  -3.785   0.234
  123   2HD2  ASN  18          2HD2      ASN  18  10.616  -4.443   1.652
  124    H    GLU  19           HN       GLU  19   8.647   0.498  -0.127
  125    HA   GLU  19           HA       GLU  19   9.174   1.136   2.593
  126   1HB   GLU  19           HB2      GLU  19   7.708   2.210   0.666
  127   2HB   GLU  19           HB1      GLU  19   6.415   1.279   1.422
  128   1HG   GLU  19           HG2      GLU  19   7.957   2.582   3.470
  129   2HG   GLU  19           HG1      GLU  19   7.466   3.775   2.267
  130    H    ARG  20           HN       ARG  20   8.837  -0.080   4.401
  131    HA   ARG  20           HA       ARG  20   7.387  -2.605   4.310
  132   1HB   ARG  20           HB2      ARG  20   9.341  -1.320   5.871
  133   2HB   ARG  20           HB1      ARG  20   7.964  -1.533   6.953
  134   1HG   ARG  20           HG2      ARG  20   8.463  -3.713   7.167
  135   2HG   ARG  20           HG1      ARG  20   8.260  -3.930   5.428
  136   1HD   ARG  20           HD2      ARG  20  10.500  -4.568   5.701
  137   2HD   ARG  20           HD1      ARG  20  10.690  -2.839   5.346
  138    HE   ARG  20           HE       ARG  20  10.318  -3.581   8.190
  139   1HH1  ARG  20          1HH1      ARG  20  11.614  -1.181   6.466
  140   2HH1  ARG  20          2HH1      ARG  20  13.223  -1.269   7.101
  141   1HH2  ARG  20          1HH2      ARG  20  12.730  -4.333   8.647
  142   2HH2  ARG  20          2HH2      ARG  20  13.855  -3.052   8.336
  143    H    PHE  21           HN       PHE  21   5.168  -2.183   3.907
  144    HA   PHE  21           HA       PHE  21   3.693  -0.937   6.173
  145   1HB   PHE  21           HB2      PHE  21   4.049   0.876   4.619
  146   2HB   PHE  21           HB1      PHE  21   3.599  -0.138   3.249
  147    HD1  PHE  21           HD1      PHE  21   1.674  -0.637   6.277
  148    HD2  PHE  21           HD2      PHE  21   1.940   1.694   2.680
  149    HE1  PHE  21           HE1      PHE  21  -0.696   0.044   6.542
  150    HE2  PHE  21           HE2      PHE  21  -0.425   2.373   2.942
  151    HZ   PHE  21           HZ       PHE  21  -1.748   1.549   4.873
  152    H    ARG  22           HN       ARG  22   2.672  -2.895   6.710
  153    HA   ARG  22           HA       ARG  22   1.610  -4.733   4.728
  154   1HB   ARG  22           HB2      ARG  22   2.060  -4.547   7.558
  155   2HB   ARG  22           HB1      ARG  22   0.390  -5.050   7.289
  156   1HG   ARG  22           HG2      ARG  22   1.262  -7.130   7.038
  157   2HG   ARG  22           HG1      ARG  22   1.745  -6.568   5.437
  158   1HD   ARG  22           HD2      ARG  22   3.945  -5.930   6.259
  159   2HD   ARG  22           HD1      ARG  22   3.468  -6.305   7.927
  160    HE   ARG  22           HE       ARG  22   3.417  -8.415   5.806
  161   1HH1  ARG  22          1HH1      ARG  22   3.204  -7.790   9.086
  162   2HH1  ARG  22          2HH1      ARG  22   4.318  -9.020   9.579
  163   1HH2  ARG  22          1HH2      ARG  22   5.339  -9.759   6.347
  164   2HH2  ARG  22          2HH2      ARG  22   5.528 -10.137   8.027
  165    H    ALA  23           HN       ALA  23   0.057  -3.696   3.410
  166    HA   ALA  23           HA       ALA  23  -2.408  -2.767   4.838
  167   1HB   ALA  23           HB2      ALA  23  -0.545  -1.327   3.202
  168   2HB   ALA  23           HB3      ALA  23  -2.007  -0.721   3.980
  169   3HB   ALA  23           HB1      ALA  23  -2.090  -1.403   2.355
  170    H    CYS  24           HN       CYS  24  -1.053  -4.829   2.485
  171    HA   CYS  24           HA       CYS  24  -3.461  -6.155   1.846
  172   1HB   CYS  24           HB2      CYS  24  -4.366  -4.300   0.782
  173   2HB   CYS  24           HB1      CYS  24  -2.801  -3.710   0.238
  174    H    GLY  25           HN       GLY  25  -3.193  -7.579  -0.107
  175   1HA   GLY  25           HA1      GLY  25  -1.054  -9.207  -0.184
  176   2HA   GLY  25           HA2      GLY  25  -0.432  -7.848  -1.123
  177    H    CYS  26           HN       CYS  26  -2.500  -7.064  -2.658
  178    HA   CYS  26           HA       CYS  26  -4.118  -9.138  -3.801
  179   1HB   CYS  26           HB2      CYS  26  -3.246  -6.356  -4.468
  180   2HB   CYS  26           HB1      CYS  26  -4.030  -7.302  -5.734
  181    H    THR  27           HN       THR  27  -2.242  -7.525  -6.220
  182    HA   THR  27           HA       THR  27  -0.842 -10.109  -6.832
  183    HB   THR  27           HB       THR  27  -1.177  -9.432  -9.206
  184    HG1  THR  27           HG1      THR  27  -1.283  -7.148  -8.630
  185   1HG2  THR  27          3HG2      THR  27  -3.319  -9.992  -7.276
  186   2HG2  THR  27          2HG2      THR  27  -3.892  -9.261  -8.775
  187   3HG2  THR  27          1HG2      THR  27  -2.968 -10.763  -8.823
  188    H    GLY  28           HN       GLY  28  -0.488  -6.722  -6.262
  189   1HA   GLY  28           HA1      GLY  28   2.051  -6.482  -7.711
  190   2HA   GLY  28           HA2      GLY  28   2.224  -6.588  -5.959
  191    H    GLU  29           HN       GLU  29   0.111  -4.835  -8.285
  192    HA   GLU  29           HA       GLU  29   0.979  -2.238  -7.766
  193   1HB   GLU  29           HB2      GLU  29  -1.050  -1.584  -8.779
  194   2HB   GLU  29           HB1      GLU  29  -0.828  -3.229  -9.369
  195   1HG   GLU  29           HG2      GLU  29  -2.332  -4.074  -7.610
  196   2HG   GLU  29           HG1      GLU  29  -2.540  -2.434  -6.993
  197    H    LEU  30           HN       LEU  30  -1.515  -4.054  -5.951
  198    HA   LEU  30           HA       LEU  30  -1.707  -1.906  -3.938
  199   1HB   LEU  30           HB2      LEU  30  -3.455  -3.704  -4.979
  200   2HB   LEU  30           HB1      LEU  30  -2.939  -4.588  -3.544
  201    HG   LEU  30           HG       LEU  30  -4.877  -3.250  -2.961
  202   1HD1  LEU  30          2HD1      LEU  30  -2.497  -3.205  -1.608
  203   2HD1  LEU  30          1HD1      LEU  30  -2.832  -1.483  -1.781
  204   3HD1  LEU  30          3HD1      LEU  30  -4.006  -2.535  -0.990
  205   1HD2  LEU  30          3HD2      LEU  30  -3.266  -0.945  -4.095
  206   2HD2  LEU  30          2HD2      LEU  30  -4.787  -1.577  -4.721
  207   3HD2  LEU  30          1HD2      LEU  30  -4.749  -0.747  -3.164
  208    H    GLU  31           HN       GLU  31  -0.263  -5.094  -4.337
  209    HA   GLU  31           HA       GLU  31   0.382  -5.837  -1.721
  210   1HB   GLU  31           HB2      GLU  31   1.182  -6.397  -4.398
  211   2HB   GLU  31           HB1      GLU  31   2.656  -6.176  -3.456
  212   1HG   GLU  31           HG2      GLU  31   0.368  -8.053  -2.793
  213   2HG   GLU  31           HG1      GLU  31   1.973  -8.520  -3.355
  214    H    ASN  32           HN       ASN  32   2.060  -3.498  -3.827
  215    HA   ASN  32           HA       ASN  32   3.686  -2.610  -1.472
  216   1HB   ASN  32           HB2      ASN  32   4.106  -2.170  -4.440
  217   2HB   ASN  32           HB1      ASN  32   5.275  -1.892  -3.153
  218   1HD2  ASN  32          1HD2      ASN  32   3.870  -4.315  -5.240
  219   2HD2  ASN  32          2HD2      ASN  32   4.785  -5.628  -4.668
  220    H    VAL  33           HN       VAL  33   2.969  -0.663  -0.630
  221    HA   VAL  33           HA       VAL  33   2.081   1.437  -2.526
  222    HB   VAL  33           HB       VAL  33   0.039   0.304  -2.065
  223   1HG1  VAL  33          3HG1      VAL  33   0.872  -1.024  -0.147
  224   2HG1  VAL  33          2HG1      VAL  33   0.804   0.418   0.866
  225   3HG1  VAL  33          1HG1      VAL  33  -0.682  -0.270   0.211
  226   1HG2  VAL  33          2HG2      VAL  33   0.190   2.855  -1.714
  227   2HG2  VAL  33          1HG2      VAL  33  -1.235   2.036  -1.074
  228   3HG2  VAL  33          3HG2      VAL  33   0.080   2.493   0.009
  229    H    HIS  34           HN       HIS  34   2.355   3.522  -1.704
  230    HA   HIS  34           HA       HIS  34   4.273   3.949   0.389
  231   1HB   HIS  34           HB2      HIS  34   2.367   5.569  -1.256
  232   2HB   HIS  34           HB1      HIS  34   3.264   6.358   0.038
  233    HD2  HIS  34           HD2      HIS  34   6.256   5.331  -0.344
  234    HE1  HIS  34           HE1      HIS  34   5.788   5.974  -4.498
  235    HE2  HIS  34           HE2      HIS  34   7.439   5.659  -2.624
  236    H    ARG  35           HN       ARG  35   3.892   4.005   2.584
  237    HA   ARG  35           HA       ARG  35   1.258   3.709   3.726
  238   1HB   ARG  35           HB2      ARG  35   3.486   2.989   4.682
  239   2HB   ARG  35           HB1      ARG  35   3.831   4.689   5.005
  240   1HG   ARG  35           HG2      ARG  35   2.115   4.865   6.603
  241   2HG   ARG  35           HG1      ARG  35   1.286   3.427   6.006
  242   1HD   ARG  35           HD2      ARG  35   2.740   1.969   7.097
  243   2HD   ARG  35           HD1      ARG  35   4.074   3.140   7.094
  244    HE   ARG  35           HE       ARG  35   1.701   3.267   8.904
  245   1HH1  ARG  35          1HH1      ARG  35   4.764   2.870   9.505
  246   2HH1  ARG  35          2HH1      ARG  35   5.112   4.407  10.225
  247   1HH2  ARG  35          1HH2      ARG  35   2.166   5.880   9.140
  248   2HH2  ARG  35          2HH2      ARG  35   3.641   6.110  10.018
  249    H    SER  36           HN       SER  36   3.026   6.420   2.568
  250    HA   SER  36           HA       SER  36   1.902   8.448   4.317
  251   1HB   SER  36           HB2      SER  36   3.491   9.655   3.251
  252   2HB   SER  36           HB1      SER  36   3.911   8.179   2.388
  253    HG   SER  36           HG       SER  36   2.940   8.918   0.662
  254    H    CYS  37           HN       CYS  37   1.345   7.879   0.802
  255    HA   CYS  37           HA       CYS  37  -1.094   9.475   0.900
  256   1HB   CYS  37           HB2      CYS  37  -1.259   8.645  -1.525
  257   2HB   CYS  37           HB1      CYS  37   0.151   9.604  -1.106
  258    HG   CYS  37           HG       CYS  37   0.583   7.183  -2.434
  259    H    LEU  38           HN       LEU  38  -0.428   6.033   1.232
  260    HA   LEU  38           HA       LEU  38  -3.160   5.232   0.546
  261   1HB   LEU  38           HB2      LEU  38  -1.436   3.617   0.260
  262   2HB   LEU  38           HB1      LEU  38  -0.780   3.915   1.869
  263    HG   LEU  38           HG       LEU  38  -2.672   2.887   2.928
  264   1HD1  LEU  38          1HD1      LEU  38  -3.958   3.562   0.414
  265   2HD1  LEU  38          3HD1      LEU  38  -4.273   1.884   0.853
  266   3HD1  LEU  38          2HD1      LEU  38  -4.690   3.182   1.973
  267   1HD2  LEU  38          1HD2      LEU  38  -0.992   1.495   1.173
  268   2HD2  LEU  38          3HD2      LEU  38  -1.967   0.794   2.464
  269   3HD2  LEU  38          2HD2      LEU  38  -2.606   0.875   0.822
  270    H    SER  39           HN       SER  39  -1.362   5.140   3.643
  271    HA   SER  39           HA       SER  39  -3.487   4.625   5.382
  272   1HB   SER  39           HB2      SER  39  -1.138   4.658   6.032
  273   2HB   SER  39           HB1      SER  39  -1.028   6.380   5.678
  274    HG   SER  39           HG       SER  39  -1.659   6.668   7.652
  275    H    THR  40           HN       THR  40  -2.539   7.680   3.871
  276    HA   THR  40           HA       THR  40  -4.523   9.226   5.408
  277    HB   THR  40           HB       THR  40  -3.633  11.054   3.906
  278    HG1  THR  40           HG1      THR  40  -3.138   9.552   2.185
  279   1HG2  THR  40          1HG2      THR  40  -2.560  10.147   6.118
  280   2HG2  THR  40          3HG2      THR  40  -1.308   9.527   5.042
  281   3HG2  THR  40          2HG2      THR  40  -1.640  11.258   5.104
  282    H    TRP  41           HN       TRP  41  -4.105   7.951   2.107
  283    HA   TRP  41           HA       TRP  41  -6.331   9.190   0.855
  284   1HB   TRP  41           HB2      TRP  41  -4.799   8.017  -0.500
  285   2HB   TRP  41           HB1      TRP  41  -4.816   6.600   0.547
  286    HD1  TRP  41           HD1      TRP  41  -7.046   8.451  -1.988
  287    HE1  TRP  41           HE1      TRP  41  -8.697   6.754  -3.009
  288    HE3  TRP  41           HE3      TRP  41  -5.921   4.329   0.810
  289    HZ2  TRP  41           HZ2      TRP  41  -9.442   4.013  -2.683
  290    HZ3  TRP  41           HZ3      TRP  41  -7.115   2.190   0.434
  291    HH2  TRP  41           HH2      TRP  41  -8.872   2.027  -1.308
  292    H    LEU  42           HN       LEU  42  -6.209   5.897   2.293
  293    HA   LEU  42           HA       LEU  42  -8.948   5.290   2.153
  294   1HB   LEU  42           HB2      LEU  42  -8.406   3.879   4.223
  295   2HB   LEU  42           HB1      LEU  42  -7.366   3.626   2.824
  296    HG   LEU  42           HG       LEU  42  -5.968   5.587   4.042
  297   1HD1  LEU  42          3HD1      LEU  42  -7.882   4.641   6.012
  298   2HD1  LEU  42          2HD1      LEU  42  -6.221   4.360   6.536
  299   3HD1  LEU  42          1HD1      LEU  42  -6.747   5.988   6.112
  300   1HD2  LEU  42          2HD2      LEU  42  -5.830   2.757   3.751
  301   2HD2  LEU  42          1HD2      LEU  42  -4.496   3.884   3.993
  302   3HD2  LEU  42          3HD2      LEU  42  -5.295   3.150   5.384
  303    H    THR  43           HN       THR  43  -7.212   7.180   4.626
  304    HA   THR  43           HA       THR  43  -9.393   7.531   6.441
  305    HB   THR  43           HB       THR  43  -6.902   9.084   5.718
  306    HG1  THR  43           HG1      THR  43  -7.751   7.569   7.959
  307   1HG2  THR  43          1HG2      THR  43  -8.950   9.746   7.850
  308   2HG2  THR  43          3HG2      THR  43  -7.335  10.450   7.768
  309   3HG2  THR  43          2HG2      THR  43  -8.496  10.755   6.476
  310    H    ILE  44           HN       ILE  44  -8.299   9.475   3.653
  311    HA   ILE  44           HA       ILE  44 -10.393  11.467   3.887
  312    HB   ILE  44           HB       ILE  44  -8.656  10.616   1.543
  313   1HG1  ILE  44          2HG1      ILE  44  -8.129  12.847   3.518
  314   2HG1  ILE  44          1HG1      ILE  44  -7.502  11.216   3.762
  315   1HG2  ILE  44          3HG2      ILE  44 -10.657  12.138   1.101
  316   2HG2  ILE  44          2HG2      ILE  44  -9.859  13.331   2.126
  317   3HG2  ILE  44          1HG2      ILE  44  -9.085  12.789   0.637
  318   1HD1  ILE  44          2HD1      ILE  44  -6.540  11.399   1.391
  319   2HD1  ILE  44          1HD1      ILE  44  -6.894  13.123   1.499
  320   3HD1  ILE  44          3HD1      ILE  44  -5.764  12.383   2.632
  321    H    SER  45           HN       SER  45  -9.905   8.634   1.749
  322    HA   SER  45           HA       SER  45 -12.516   8.920   0.478
  323   1HB   SER  45           HB2      SER  45 -11.620   7.352  -0.921
  324   2HB   SER  45           HB1      SER  45 -10.119   7.678  -0.060
  325    HG   SER  45           HG       SER  45 -11.489   5.423  -0.163
  326    H    ARG  46           HN       ARG  46 -11.515   7.811   3.503
  327    HA   ARG  46           HA       ARG  46 -12.759   6.792   5.237
  328   1HB   ARG  46           HB2      ARG  46 -14.587   7.956   3.616
  329   2HB   ARG  46           HB1      ARG  46 -15.060   6.267   3.429
  330   1HG   ARG  46           HG2      ARG  46 -15.277   6.013   5.842
  331   2HG   ARG  46           HG1      ARG  46 -14.680   7.654   6.098
  332   1HD   ARG  46           HD2      ARG  46 -16.779   8.464   5.849
  333   2HD   ARG  46           HD1      ARG  46 -16.883   7.733   4.235
  334    HE   ARG  46           HE       ARG  46 -17.730   5.687   5.268
  335   1HH1  ARG  46          1HH1      ARG  46 -16.296   6.829   7.919
  336   2HH1  ARG  46          2HH1      ARG  46 -17.687   6.865   8.950
  337   1HH2  ARG  46          1HH2      ARG  46 -19.947   6.390   6.363
  338   2HH2  ARG  46          2HH2      ARG  46 -19.754   6.617   8.069
  339    H    ASN  47           HN       ASN  47 -10.982   5.101   4.318
  340    HA   ASN  47           HA       ASN  47 -12.492   2.580   3.710
  341   1HB   ASN  47           HB2      ASN  47 -10.119   3.882   2.478
  342   2HB   ASN  47           HB1      ASN  47 -10.025   2.132   2.673
  343   1HD2  ASN  47          1HD2      ASN  47 -10.344   3.656   0.119
  344   2HD2  ASN  47          2HD2      ASN  47 -11.793   3.102  -0.570
  345    H    THR  48           HN       THR  48 -11.253   0.610   4.502
  346    HA   THR  48           HA       THR  48  -9.489   1.248   6.840
  347    HB   THR  48           HB       THR  48 -11.363  -1.016   7.128
  348    HG1  THR  48           HG1      THR  48 -12.259   1.666   6.942
  349   1HG2  THR  48          2HG2      THR  48  -9.929  -0.161   8.947
  350   2HG2  THR  48          1HG2      THR  48 -10.726   1.408   8.831
  351   3HG2  THR  48          3HG2      THR  48 -11.638  -0.007   9.355
  352    H    ALA  49           HN       ALA  49 -10.618  -1.198   4.511
  353    HA   ALA  49           HA       ALA  49  -7.917  -2.455   4.632
  354   1HB   ALA  49           HB1      ALA  49 -10.598  -3.809   5.048
  355   2HB   ALA  49           HB3      ALA  49  -9.085  -4.681   4.804
  356   3HB   ALA  49           HB2      ALA  49  -9.296  -3.661   6.228
  357    H    CYS  50           HN       CYS  50  -7.289  -3.331   2.635
  358    HA   CYS  50           HA       CYS  50  -8.365  -2.427   0.220
  359   1HB   CYS  50           HB2      CYS  50  -6.168  -3.561   0.598
  360   2HB   CYS  50           HB1      CYS  50  -7.021  -5.095   0.769
  361    HG   CYS  50           HG       CYS  50  -7.213  -3.458  -1.889
  362    H    GLN  51           HN       GLN  51 -10.326  -2.827  -0.733
  363    HA   GLN  51           HA       GLN  51 -12.028  -5.023   0.231
  364   1HB   GLN  51           HB2      GLN  51 -13.683  -3.930  -1.206
  365   2HB   GLN  51           HB1      GLN  51 -12.816  -2.704  -0.280
  366   1HG   GLN  51           HG2      GLN  51 -11.273  -3.069  -2.590
  367   2HG   GLN  51           HG1      GLN  51 -12.942  -3.078  -3.161
  368   1HE2  GLN  51          1HE2      GLN  51 -10.389  -1.047  -1.998
  369   2HE2  GLN  51          2HE2      GLN  51 -11.283   0.394  -1.917
  370    H    ILE  52           HN       ILE  52  -9.525  -4.920  -1.935
  371    HA   ILE  52           HA       ILE  52 -10.766  -6.565  -4.052
  372    HB   ILE  52           HB       ILE  52  -7.973  -5.508  -3.505
  373   1HG1  ILE  52          2HG1      ILE  52  -9.676  -3.825  -4.129
  374   2HG1  ILE  52          1HG1      ILE  52  -8.496  -4.037  -5.422
  375   1HG2  ILE  52          1HG2      ILE  52  -8.050  -7.702  -4.790
  376   2HG2  ILE  52          3HG2      ILE  52  -8.969  -6.850  -6.031
  377   3HG2  ILE  52          2HG2      ILE  52  -7.319  -6.352  -5.658
  378   1HD1  ILE  52          3HD1      ILE  52 -10.540  -5.957  -5.858
  379   2HD1  ILE  52          2HD1      ILE  52 -11.343  -4.424  -5.519
  380   3HD1  ILE  52          1HD1      ILE  52 -10.173  -4.535  -6.834
  381    H    CYS  53           HN       CYS  53  -8.374  -6.943  -1.425
  382    HA   CYS  53           HA       CYS  53  -8.494  -9.911  -1.860
  383   1HB   CYS  53           HB2      CYS  53  -6.245  -9.908  -0.864
  384   2HB   CYS  53           HB1      CYS  53  -6.307  -8.780  -2.219
  385    HG   CYS  53           HG       CYS  53  -5.396  -7.206  -0.502
  386    H    GLY  54           HN       GLY  54  -9.168  -7.323   0.337
  387   1HA   GLY  54           HA1      GLY  54 -10.167  -9.280   2.312
  388   2HA   GLY  54           HA2      GLY  54 -10.510  -7.551   2.308
  389    H    VAL  55           HN       VAL  55  -7.602  -6.878   2.004
  390    HA   VAL  55           HA       VAL  55  -6.550  -7.824   4.639
  391    HB   VAL  55           HB       VAL  55  -5.281  -6.425   2.263
  392   1HG1  VAL  55          1HG1      VAL  55  -4.137  -7.385   4.899
  393   2HG1  VAL  55          3HG1      VAL  55  -3.140  -7.022   3.490
  394   3HG1  VAL  55          2HG1      VAL  55  -4.097  -5.748   4.245
  395   1HG2  VAL  55          1HG2      VAL  55  -5.977  -8.867   2.041
  396   2HG2  VAL  55          3HG2      VAL  55  -4.257  -8.555   1.802
  397   3HG2  VAL  55          2HG2      VAL  55  -4.830  -9.226   3.329
  398    H    VAL  56           HN       VAL  56  -6.052  -6.312   6.272
  399    HA   VAL  56           HA       VAL  56  -7.386  -3.693   6.051
  400    HB   VAL  56           HB       VAL  56  -5.809  -4.946   8.318
  401   1HG1  VAL  56          2HG1      VAL  56  -7.452  -2.513   7.962
  402   2HG1  VAL  56          1HG1      VAL  56  -7.819  -3.452   9.410
  403   3HG1  VAL  56          3HG1      VAL  56  -6.182  -2.852   9.139
  404   1HG2  VAL  56          1HG2      VAL  56  -8.019  -6.055   7.139
  405   2HG2  VAL  56          3HG2      VAL  56  -7.608  -6.250   8.843
  406   3HG2  VAL  56          2HG2      VAL  56  -8.765  -5.014   8.351
  407    H    TYR  57           HN       TYR  57  -6.305  -1.684   6.223
  408    HA   TYR  57           HA       TYR  57  -3.699  -1.483   5.051
  409   1HB   TYR  57           HB2      TYR  57  -5.214   0.526   6.737
  410   2HB   TYR  57           HB1      TYR  57  -4.003   0.884   5.506
  411    HD1  TYR  57           HD1      TYR  57  -4.813  -1.160   3.446
  412    HD2  TYR  57           HD2      TYR  57  -7.150   1.564   5.802
  413    HE1  TYR  57           HE1      TYR  57  -6.570  -1.162   1.699
  414    HE2  TYR  57           HE2      TYR  57  -8.910   1.561   4.057
  415    HH   TYR  57           HH       TYR  57  -8.828  -0.660   1.365
  416    H    ASN  58           HN       ASN  58  -4.821  -1.089   8.408
  417    HA   ASN  58           HA       ASN  58  -3.598  -1.020  10.436
  418   1HB   ASN  58           HB2      ASN  58  -3.321  -3.368   9.202
  419   2HB   ASN  58           HB1      ASN  58  -1.634  -2.856   9.117
  420   1HD2  ASN  58          1HD2      ASN  58  -3.961  -4.317  11.157
  421   2HD2  ASN  58          2HD2      ASN  58  -3.093  -4.213  12.612
  422    H    THR  59           HN       THR  59  -2.891   1.257   9.873
  423    HA   THR  59           HA       THR  59  -0.027   1.425   9.027
  424    HB   THR  59           HB       THR  59  -0.584   3.716   8.465
  425    HG1  THR  59           HG1      THR  59  -3.155   3.861   8.992
  426   1HG2  THR  59          3HG2      THR  59  -2.040   1.450   7.458
  427   2HG2  THR  59          2HG2      THR  59  -3.079   2.874   7.406
  428   3HG2  THR  59          1HG2      THR  59  -1.515   2.894   6.591
  429    H    ARG  60           HN       ARG  60   1.386   1.553  10.729
  430    HA   ARG  60           HA       ARG  60   0.505   3.033  13.189
  431   1HB   ARG  60           HB2      ARG  60   0.648   0.572  13.457
  432   2HB   ARG  60           HB1      ARG  60   2.322   0.616  12.904
  433   1HG   ARG  60           HG2      ARG  60   2.919   0.928  15.055
  434   2HG   ARG  60           HG1      ARG  60   2.206   2.537  14.936
  435   1HD   ARG  60           HD2      ARG  60  -0.046   1.395  15.484
  436   2HD   ARG  60           HD1      ARG  60   0.934   0.005  15.993
  437    HE   ARG  60           HE       ARG  60   0.615   2.339  17.552
  438   1HH1  ARG  60          1HH1      ARG  60   2.293  -0.337  17.890
  439   2HH1  ARG  60          2HH1      ARG  60   3.803   0.355  18.381
  440   1HH2  ARG  60          1HH2      ARG  60   2.927   3.580  17.454
  441   2HH2  ARG  60          2HH2      ARG  60   4.162   2.574  18.134

  No H/Q in entry =         441
  Start of MODEL   25
    1    H1   MET   1           HT1      MET   1  13.634  12.502 -16.921
    2    H2   MET   1           HT3      MET   1  13.503  14.192 -16.864
    3    H3   MET   1           HT2      MET   1  14.978  13.470 -17.298
    4    HA   MET   1           HA       MET   1  15.107  14.258 -15.019
    5   1HB   MET   1           HB2      MET   1  13.451  13.510 -13.424
    6   2HB   MET   1           HB1      MET   1  12.578  14.102 -14.838
    7   1HG   MET   1           HG2      MET   1  13.146  11.376 -15.342
    8   2HG   MET   1           HG1      MET   1  12.554  11.460 -13.683
    9   1HE   MET   1           HE2      MET   1  11.606  10.579 -16.879
   10   2HE   MET   1           HE1      MET   1  10.231  11.517 -17.456
   11   3HE   MET   1           HE3      MET   1  11.851  12.229 -17.447
   12    H    GLU   2           HN       GLU   2  14.619  11.947 -13.144
   13    HA   GLU   2           HA       GLU   2  16.969  10.341 -13.962
   14   1HB   GLU   2           HB2      GLU   2  15.373  10.884 -11.481
   15   2HB   GLU   2           HB1      GLU   2  16.359   9.422 -11.543
   16   1HG   GLU   2           HG2      GLU   2  17.654  11.945 -12.450
   17   2HG   GLU   2           HG1      GLU   2  17.345  11.789 -10.720
   18    H    ASP   3           HN       ASP   3  16.867   8.010 -14.064
   19    HA   ASP   3           HA       ASP   3  14.737   6.837 -15.446
   20   1HB   ASP   3           HB2      ASP   3  16.596   5.520 -13.440
   21   2HB   ASP   3           HB1      ASP   3  15.812   4.736 -14.811
   22    H    GLU   4           HN       GLU   4  13.270   5.048 -14.585
   23    HA   GLU   4           HA       GLU   4  11.332   5.907 -12.811
   24   1HB   GLU   4           HB2      GLU   4  12.437   3.158 -13.429
   25   2HB   GLU   4           HB1      GLU   4  10.977   3.385 -12.464
   26   1HG   GLU   4           HG2      GLU   4  10.968   4.974 -14.926
   27   2HG   GLU   4           HG1      GLU   4  11.065   3.240 -15.230
   28    H    ASP   5           HN       ASP   5  10.924   5.508 -10.536
   29    HA   ASP   5           HA       ASP   5  13.428   5.133  -8.926
   30   1HB   ASP   5           HB2      ASP   5  11.216   7.038  -8.954
   31   2HB   ASP   5           HB1      ASP   5  11.454   6.338  -7.352
   32    H    VAL   6           HN       VAL   6  12.750   4.379  -6.576
   33    HA   VAL   6           HA       VAL   6  10.787   2.125  -6.856
   34    HB   VAL   6           HB       VAL   6  13.282   2.229  -5.141
   35   1HG1  VAL   6          1HG1      VAL   6  11.129   0.491  -5.141
   36   2HG1  VAL   6          3HG1      VAL   6  12.292  -0.332  -6.180
   37   3HG1  VAL   6          2HG1      VAL   6  12.741   0.112  -4.534
   38   1HG2  VAL   6          1HG2      VAL   6  13.104   2.118  -7.980
   39   2HG2  VAL   6          3HG2      VAL   6  14.537   1.882  -6.978
   40   3HG2  VAL   6          2HG2      VAL   6  13.533   0.501  -7.421
   41    HA   PRO   7           HA       PRO   7   9.017   4.552  -3.496
   42   1HB   PRO   7           HB2      PRO   7   6.625   3.231  -3.492
   43   2HB   PRO   7           HB1      PRO   7   7.014   4.514  -4.655
   44   1HG   PRO   7           HG2      PRO   7   7.082   1.560  -5.000
   45   2HG   PRO   7           HG1      PRO   7   6.541   2.814  -6.127
   46   1HD   PRO   7           HD2      PRO   7   8.962   1.586  -6.319
   47   2HD   PRO   7           HD1      PRO   7   8.670   3.252  -6.867
   48    H    VAL   8           HN       VAL   8   8.239   3.916  -1.304
   49    HA   VAL   8           HA       VAL   8   9.140   1.156  -0.554
   50    HB   VAL   8           HB       VAL   8   9.230   3.568   1.249
   51   1HG1  VAL   8          2HG1      VAL   8   9.579   1.203   2.085
   52   2HG1  VAL   8          1HG1      VAL   8  11.017   1.129   1.063
   53   3HG1  VAL   8          3HG1      VAL   8  10.932   2.296   2.384
   54   1HG2  VAL   8          1HG2      VAL   8  10.930   2.950  -1.111
   55   2HG2  VAL   8          3HG2      VAL   8  10.609   4.499  -0.332
   56   3HG2  VAL   8          2HG2      VAL   8  11.788   3.389   0.366
   57    H    CYS   9           HN       CYS   9   7.779  -0.024   0.753
   58    HA   CYS   9           HA       CYS   9   5.020   0.771   1.029
   59   1HB   CYS   9           HB2      CYS   9   5.584  -1.540   0.801
   60   2HB   CYS   9           HB1      CYS   9   6.756  -1.458   2.113
   61    H    TRP  10           HN       TRP  10   4.303   2.215   2.506
   62    HA   TRP  10           HA       TRP  10   5.797   3.319   4.652
   63   1HB   TRP  10           HB2      TRP  10   3.605   4.284   5.247
   64   2HB   TRP  10           HB1      TRP  10   3.843   4.311   3.499
   65    HD1  TRP  10           HD1      TRP  10   2.422   2.639   2.015
   66    HE1  TRP  10           HE1      TRP  10   0.273   1.296   2.506
   67    HE3  TRP  10           HE3      TRP  10   2.283   3.007   7.110
   68    HZ2  TRP  10           HZ2      TRP  10  -1.292   0.483   4.756
   69    HZ3  TRP  10           HZ3      TRP  10   0.456   1.940   8.399
   70    HH2  TRP  10           HH2      TRP  10  -1.331   0.680   7.230
   71    H    ILE  11           HN       ILE  11   4.023   0.332   4.505
   72    HA   ILE  11           HA       ILE  11   3.441   0.121   7.343
   73    HB   ILE  11           HB       ILE  11   3.679  -2.060   5.249
   74   1HG1  ILE  11          2HG1      ILE  11   1.438  -0.106   5.853
   75   2HG1  ILE  11          1HG1      ILE  11   2.287  -0.309   4.322
   76   1HG2  ILE  11          3HG2      ILE  11   2.975  -2.038   8.004
   77   2HG2  ILE  11          2HG2      ILE  11   1.489  -2.303   7.092
   78   3HG2  ILE  11          1HG2      ILE  11   2.865  -3.386   6.872
   79   1HD1  ILE  11          1HD1      ILE  11   1.432  -2.694   4.278
   80   2HD1  ILE  11          3HD1      ILE  11   0.414  -2.276   5.656
   81   3HD1  ILE  11          2HD1      ILE  11   0.186  -1.456   4.111
   82    H    CYS  12           HN       CYS  12   5.789  -1.662   5.283
   83    HA   CYS  12           HA       CYS  12   7.313  -2.332   7.758
   84   1HB   CYS  12           HB2      CYS  12   8.347  -4.027   6.240
   85   2HB   CYS  12           HB1      CYS  12   6.592  -4.165   6.314
   86    H    ASN  13           HN       ASN  13   7.352   0.096   5.543
   87    HA   ASN  13           HA       ASN  13   9.022   1.608   4.821
   88   1HB   ASN  13           HB2      ASN  13   9.391   0.987   7.450
   89   2HB   ASN  13           HB1      ASN  13  10.951   0.503   6.785
   90   1HD2  ASN  13          1HD2      ASN  13   8.651   3.278   6.457
   91   2HD2  ASN  13          2HD2      ASN  13   9.866   4.464   6.434
   92    H    GLU  14           HN       GLU  14   8.922  -0.550   3.167
   93    HA   GLU  14           HA       GLU  14  11.805  -1.067   2.577
   94   1HB   GLU  14           HB2      GLU  14  11.133  -3.036   3.716
   95   2HB   GLU  14           HB1      GLU  14   9.537  -3.025   2.965
   96   1HG   GLU  14           HG2      GLU  14  10.699  -3.399   0.739
   97   2HG   GLU  14           HG1      GLU  14  12.186  -3.672   1.648
   98    H    GLU  15           HN       GLU  15  12.242  -0.918   0.384
   99    HA   GLU  15           HA       GLU  15  10.420   0.260  -1.442
  100   1HB   GLU  15           HB2      GLU  15  13.071  -1.009  -1.411
  101   2HB   GLU  15           HB1      GLU  15  12.259  -1.122  -2.973
  102   1HG   GLU  15           HG2      GLU  15  12.022   1.252  -3.125
  103   2HG   GLU  15           HG1      GLU  15  12.472   1.473  -1.434
  104    H    LEU  16           HN       LEU  16   8.954  -0.616  -2.909
  105    HA   LEU  16           HA       LEU  16   8.615  -3.591  -2.801
  106   1HB   LEU  16           HB2      LEU  16   6.169  -2.909  -3.309
  107   2HB   LEU  16           HB1      LEU  16   6.784  -2.587  -1.690
  108    HG   LEU  16           HG       LEU  16   7.144  -0.449  -3.747
  109   1HD1  LEU  16          1HD1      LEU  16   4.699  -1.548  -3.665
  110   2HD1  LEU  16          3HD1      LEU  16   4.566  -0.498  -2.254
  111   3HD1  LEU  16          2HD1      LEU  16   4.937   0.192  -3.836
  112   1HD2  LEU  16          1HD2      LEU  16   6.883  -0.732  -0.791
  113   2HD2  LEU  16          3HD2      LEU  16   7.925   0.339  -1.727
  114   3HD2  LEU  16          2HD2      LEU  16   6.224   0.745  -1.502
  115    H    GLY  17           HN       GLY  17   9.768  -1.272  -4.787
  116   1HA   GLY  17           HA1      GLY  17   9.529  -2.895  -7.152
  117   2HA   GLY  17           HA2      GLY  17  10.190  -1.262  -7.099
  118    H    ASN  18           HN       ASN  18   7.400  -0.657  -5.738
  119    HA   ASN  18           HA       ASN  18   5.547   0.563  -6.567
  120   1HB   ASN  18           HB2      ASN  18   7.235   0.883  -8.557
  121   2HB   ASN  18           HB1      ASN  18   6.255  -0.351  -9.349
  122   1HD2  ASN  18          1HD2      ASN  18   4.221   0.288 -10.192
  123   2HD2  ASN  18          2HD2      ASN  18   3.576   1.849 -10.014
  124    H    GLU  19           HN       GLU  19   5.169  -1.854  -5.469
  125    HA   GLU  19           HA       GLU  19   4.062  -3.919  -7.071
  126   1HB   GLU  19           HB2      GLU  19   4.494  -3.351  -4.379
  127   2HB   GLU  19           HB1      GLU  19   2.737  -3.455  -4.494
  128   1HG   GLU  19           HG2      GLU  19   4.266  -5.558  -5.930
  129   2HG   GLU  19           HG1      GLU  19   4.312  -5.629  -4.168
  130    H    ARG  20           HN       ARG  20   2.583  -3.341  -8.614
  131    HA   ARG  20           HA       ARG  20   0.703  -1.219  -8.491
  132   1HB   ARG  20           HB2      ARG  20   1.363  -3.512 -10.137
  133   2HB   ARG  20           HB1      ARG  20  -0.386  -3.301 -10.059
  134   1HG   ARG  20           HG2      ARG  20   0.133  -0.786 -10.506
  135   2HG   ARG  20           HG1      ARG  20   1.701  -1.375 -11.060
  136   1HD   ARG  20           HD2      ARG  20   0.384  -3.020 -12.543
  137   2HD   ARG  20           HD1      ARG  20  -1.034  -2.011 -12.192
  138    HE   ARG  20           HE       ARG  20   1.426  -1.077 -13.597
  139   1HH1  ARG  20          1HH1      ARG  20   0.261   1.131 -12.019
  140   2HH1  ARG  20          2HH1      ARG  20  -0.900   1.814 -13.108
  141   1HH2  ARG  20          1HH2      ARG  20  -0.956  -0.952 -15.201
  142   2HH2  ARG  20          2HH2      ARG  20  -1.589   0.634 -14.911
  143    H    PHE  21           HN       PHE  21  -0.440  -1.184  -6.543
  144    HA   PHE  21           HA       PHE  21  -2.626  -3.176  -6.275
  145   1HB   PHE  21           HB2      PHE  21  -1.015  -4.174  -4.868
  146   2HB   PHE  21           HB1      PHE  21  -0.369  -2.618  -4.355
  147    HD1  PHE  21           HD1      PHE  21  -0.537  -3.116  -1.987
  148    HD2  PHE  21           HD2      PHE  21  -4.006  -3.265  -4.519
  149    HE1  PHE  21           HE1      PHE  21  -1.991  -3.172   0.014
  150    HE2  PHE  21           HE2      PHE  21  -5.463  -3.318  -2.511
  151    HZ   PHE  21           HZ       PHE  21  -4.456  -3.272  -0.245
  152    H    ARG  22           HN       ARG  22  -4.213  -1.576  -6.615
  153    HA   ARG  22           HA       ARG  22  -4.034   1.097  -5.512
  154   1HB   ARG  22           HB2      ARG  22  -6.392  -0.502  -6.562
  155   2HB   ARG  22           HB1      ARG  22  -6.320   1.254  -6.412
  156   1HG   ARG  22           HG2      ARG  22  -4.254  -0.243  -8.017
  157   2HG   ARG  22           HG1      ARG  22  -5.800   0.211  -8.734
  158   1HD   ARG  22           HD2      ARG  22  -5.105   2.576  -7.576
  159   2HD   ARG  22           HD1      ARG  22  -3.502   1.929  -7.980
  160    HE   ARG  22           HE       ARG  22  -5.457   1.616 -10.133
  161   1HH1  ARG  22          1HH1      ARG  22  -3.858   4.172  -8.575
  162   2HH1  ARG  22          2HH1      ARG  22  -3.192   4.848 -10.023
  163   1HH2  ARG  22          1HH2      ARG  22  -4.272   2.251 -12.050
  164   2HH2  ARG  22          2HH2      ARG  22  -3.426   3.761 -11.990
  165    H    ALA  23           HN       ALA  23  -3.909   1.133  -3.259
  166    HA   ALA  23           HA       ALA  23  -6.130  -0.229  -1.770
  167   1HB   ALA  23           HB2      ALA  23  -3.345  -0.504  -1.616
  168   2HB   ALA  23           HB1      ALA  23  -3.774   0.482  -0.218
  169   3HB   ALA  23           HB3      ALA  23  -4.519  -1.101  -0.443
  170    H    CYS  24           HN       CYS  24  -5.133   2.748  -2.810
  171    HA   CYS  24           HA       CYS  24  -6.866   4.220  -1.070
  172   1HB   CYS  24           HB2      CYS  24  -4.576   3.378   0.193
  173   2HB   CYS  24           HB1      CYS  24  -4.109   4.983  -0.356
  174    H    GLY  25           HN       GLY  25  -5.362   6.632  -0.940
  175   1HA   GLY  25           HA1      GLY  25  -5.880   7.940  -3.309
  176   2HA   GLY  25           HA2      GLY  25  -4.273   7.260  -3.571
  177    H    CYS  26           HN       CYS  26  -3.765   7.506  -0.587
  178    HA   CYS  26           HA       CYS  26  -3.939  10.143   0.372
  179   1HB   CYS  26           HB2      CYS  26  -1.725   8.088   0.629
  180   2HB   CYS  26           HB1      CYS  26  -1.938   9.470   1.703
  181    H    THR  27           HN       THR  27  -1.414  11.170   0.750
  182    HA   THR  27           HA       THR  27  -0.412  11.687  -2.030
  183    HB   THR  27           HB       THR  27  -1.884  13.480  -1.127
  184    HG1  THR  27           HG1      THR  27   0.872  13.958  -1.472
  185   1HG2  THR  27          3HG2      THR  27  -1.297  13.039   1.276
  186   2HG2  THR  27          2HG2      THR  27   0.264  13.806   0.983
  187   3HG2  THR  27          1HG2      THR  27  -1.221  14.743   0.829
  188    H    GLY  28           HN       GLY  28   0.657   9.903   0.197
  189   1HA   GLY  28           HA1      GLY  28   2.713  10.783   1.724
  190   2HA   GLY  28           HA2      GLY  28   3.402  10.979   0.115
  191    H    GLU  29           HN       GLU  29   3.468   8.962   2.638
  192    HA   GLU  29           HA       GLU  29   4.686   6.789   1.227
  193   1HB   GLU  29           HB2      GLU  29   4.865   5.847   3.426
  194   2HB   GLU  29           HB1      GLU  29   4.971   7.595   3.631
  195   1HG   GLU  29           HG2      GLU  29   2.517   7.640   4.119
  196   2HG   GLU  29           HG1      GLU  29   2.504   5.877   4.046
  197    H    LEU  30           HN       LEU  30   1.440   7.115   2.685
  198    HA   LEU  30           HA       LEU  30   0.522   4.481   2.346
  199   1HB   LEU  30           HB2      LEU  30  -0.456   6.815   3.290
  200   2HB   LEU  30           HB1      LEU  30  -1.343   6.723   1.769
  201    HG   LEU  30           HG       LEU  30  -2.566   5.618   3.639
  202   1HD1  LEU  30          1HD1      LEU  30  -2.514   4.847   1.135
  203   2HD1  LEU  30          3HD1      LEU  30  -1.620   3.464   1.766
  204   3HD1  LEU  30          2HD1      LEU  30  -3.256   3.794   2.340
  205   1HD2  LEU  30          1HD2      LEU  30   0.043   4.564   4.155
  206   2HD2  LEU  30          3HD2      LEU  30  -1.433   4.310   5.088
  207   3HD2  LEU  30          2HD2      LEU  30  -1.021   3.207   3.774
  208    H    GLU  31           HN       GLU  31   1.288   6.792  -0.110
  209    HA   GLU  31           HA       GLU  31  -0.507   6.005  -2.192
  210   1HB   GLU  31           HB2      GLU  31   1.673   7.725  -1.788
  211   2HB   GLU  31           HB1      GLU  31   2.202   6.639  -3.072
  212   1HG   GLU  31           HG2      GLU  31   0.991   8.697  -3.889
  213   2HG   GLU  31           HG1      GLU  31   0.268   7.175  -4.415
  214    H    ASN  32           HN       ASN  32   2.910   4.984  -1.744
  215    HA   ASN  32           HA       ASN  32   2.378   2.581  -3.409
  216   1HB   ASN  32           HB2      ASN  32   4.960   3.522  -2.139
  217   2HB   ASN  32           HB1      ASN  32   4.766   2.498  -3.559
  218   1HD2  ASN  32          1HD2      ASN  32   5.623   5.573  -2.759
  219   2HD2  ASN  32          2HD2      ASN  32   5.088   6.401  -4.141
  220    H    VAL  33           HN       VAL  33   1.932   0.652  -2.373
  221    HA   VAL  33           HA       VAL  33   3.179   0.159   0.280
  222    HB   VAL  33           HB       VAL  33   1.101   1.195   0.847
  223   1HG1  VAL  33          3HG1      VAL  33   0.066   1.004  -1.397
  224   2HG1  VAL  33          2HG1      VAL  33  -0.193  -0.718  -1.120
  225   3HG1  VAL  33          1HG1      VAL  33  -1.038   0.471  -0.129
  226   1HG2  VAL  33          1HG2      VAL  33   1.725  -1.035   1.940
  227   2HG2  VAL  33          3HG2      VAL  33   0.035  -0.554   2.078
  228   3HG2  VAL  33          2HG2      VAL  33   0.513  -1.771   0.895
  229    H    HIS  34           HN       HIS  34   3.545  -1.990   0.684
  230    HA   HIS  34           HA       HIS  34   3.572  -3.897  -1.459
  231   1HB   HIS  34           HB2      HIS  34   4.113  -3.693   1.435
  232   2HB   HIS  34           HB1      HIS  34   3.798  -5.327   0.853
  233    HD2  HIS  34           HD2      HIS  34   5.490  -5.525  -1.850
  234    HE1  HIS  34           HE1      HIS  34   8.681  -3.662   0.213
  235    HE2  HIS  34           HE2      HIS  34   8.035  -5.036  -1.797
  236    H    ARG  35           HN       ARG  35   1.790  -5.011  -2.227
  237    HA   ARG  35           HA       ARG  35  -0.781  -4.995  -0.939
  238   1HB   ARG  35           HB2      ARG  35  -0.580  -5.276  -3.317
  239   2HB   ARG  35           HB1      ARG  35   0.509  -6.651  -3.124
  240   1HG   ARG  35           HG2      ARG  35  -1.199  -8.105  -2.784
  241   2HG   ARG  35           HG1      ARG  35  -2.069  -6.974  -1.746
  242   1HD   ARG  35           HD2      ARG  35  -3.470  -6.500  -3.456
  243   2HD   ARG  35           HD1      ARG  35  -2.091  -5.933  -4.419
  244    HE   ARG  35           HE       ARG  35  -1.963  -8.080  -5.444
  245   1HH1  ARG  35          1HH1      ARG  35  -3.416  -8.472  -2.400
  246   2HH1  ARG  35          2HH1      ARG  35  -4.386  -9.830  -2.863
  247   1HH2  ARG  35          1HH2      ARG  35  -3.516  -9.646  -6.214
  248   2HH2  ARG  35          2HH2      ARG  35  -4.442 -10.495  -5.022
  249    H    SER  36           HN       SER  36   2.053  -6.850  -0.425
  250    HA   SER  36           HA       SER  36   0.791  -9.277   0.582
  251   1HB   SER  36           HB2      SER  36   3.048  -9.912   1.015
  252   2HB   SER  36           HB1      SER  36   3.124  -8.902  -0.426
  253    HG   SER  36           HG       SER  36   4.674  -8.345   1.216
  254    H    CYS  37           HN       CYS  37   2.758  -6.803   2.305
  255    HA   CYS  37           HA       CYS  37   1.745  -7.701   4.883
  256   1HB   CYS  37           HB2      CYS  37   2.980  -5.552   5.642
  257   2HB   CYS  37           HB1      CYS  37   3.935  -6.839   4.927
  258    HG   CYS  37           HG       CYS  37   3.145  -4.218   3.421
  259    H    LEU  38           HN       LEU  38   0.655  -5.324   2.567
  260    HA   LEU  38           HA       LEU  38  -0.890  -3.793   4.538
  261   1HB   LEU  38           HB2      LEU  38  -0.118  -2.659   2.570
  262   2HB   LEU  38           HB1      LEU  38  -0.765  -3.914   1.513
  263    HG   LEU  38           HG       LEU  38  -3.009  -3.259   1.917
  264   1HD1  LEU  38          2HD1      LEU  38  -1.855  -2.196   4.412
  265   2HD1  LEU  38          1HD1      LEU  38  -3.097  -1.169   3.696
  266   3HD1  LEU  38          3HD1      LEU  38  -3.466  -2.844   4.104
  267   1HD2  LEU  38          2HD2      LEU  38  -1.326  -1.551   0.725
  268   2HD2  LEU  38          1HD2      LEU  38  -3.028  -1.159   0.962
  269   3HD2  LEU  38          3HD2      LEU  38  -1.816  -0.526   2.075
  270    H    SER  39           HN       SER  39  -1.867  -5.842   1.749
  271    HA   SER  39           HA       SER  39  -4.598  -6.070   2.318
  272   1HB   SER  39           HB2      SER  39  -3.203  -6.933   0.350
  273   2HB   SER  39           HB1      SER  39  -2.816  -8.325   1.358
  274    HG   SER  39           HG       SER  39  -4.967  -8.855   1.425
  275    H    THR  40           HN       THR  40  -1.868  -7.752   3.799
  276    HA   THR  40           HA       THR  40  -3.587  -9.556   5.362
  277    HB   THR  40           HB       THR  40  -1.330 -10.178   6.318
  278    HG1  THR  40           HG1      THR  40   0.441  -9.134   5.566
  279   1HG2  THR  40          1HG2      THR  40  -2.201 -10.337   3.527
  280   2HG2  THR  40          3HG2      THR  40  -0.457 -10.517   3.712
  281   3HG2  THR  40          2HG2      THR  40  -1.551 -11.599   4.574
  282    H    TRP  41           HN       TRP  41  -1.503  -6.717   5.981
  283    HA   TRP  41           HA       TRP  41  -1.788  -6.527   8.780
  284   1HB   TRP  41           HB2      TRP  41  -0.247  -5.106   7.702
  285   2HB   TRP  41           HB1      TRP  41  -1.429  -4.578   6.506
  286    HD1  TRP  41           HD1      TRP  41  -0.554  -4.154  10.227
  287    HE1  TRP  41           HE1      TRP  41  -1.541  -1.919  11.049
  288    HE3  TRP  41           HE3      TRP  41  -3.161  -2.756   6.064
  289    HZ2  TRP  41           HZ2      TRP  41  -3.212   0.185  10.070
  290    HZ3  TRP  41           HZ3      TRP  41  -4.439  -0.632   6.035
  291    HH2  TRP  41           HH2      TRP  41  -4.469   0.838   8.031
  292    H    LEU  42           HN       LEU  42  -3.766  -4.793   6.323
  293    HA   LEU  42           HA       LEU  42  -5.701  -3.740   8.095
  294   1HB   LEU  42           HB2      LEU  42  -7.139  -3.754   6.014
  295   2HB   LEU  42           HB1      LEU  42  -5.539  -3.058   5.778
  296    HG   LEU  42           HG       LEU  42  -4.948  -5.594   5.160
  297   1HD1  LEU  42          2HD1      LEU  42  -7.391  -6.217   5.645
  298   2HD1  LEU  42          1HD1      LEU  42  -7.790  -5.343   4.167
  299   3HD1  LEU  42          3HD1      LEU  42  -6.734  -6.754   4.099
  300   1HD2  LEU  42          1HD2      LEU  42  -5.625  -3.187   3.741
  301   2HD2  LEU  42          3HD2      LEU  42  -4.495  -4.455   3.267
  302   3HD2  LEU  42          2HD2      LEU  42  -6.195  -4.578   2.819
  303    H    THR  43           HN       THR  43  -5.361  -6.977   6.750
  304    HA   THR  43           HA       THR  43  -8.006  -7.911   7.490
  305    HB   THR  43           HB       THR  43  -5.366  -9.272   6.866
  306    HG1  THR  43           HG1      THR  43  -7.726  -8.960   5.329
  307   1HG2  THR  43          3HG2      THR  43  -7.962 -10.340   7.757
  308   2HG2  THR  43          2HG2      THR  43  -7.341 -11.084   6.284
  309   3HG2  THR  43          1HG2      THR  43  -6.370 -11.101   7.756
  310    H    ILE  44           HN       ILE  44  -4.770  -8.129   8.979
  311    HA   ILE  44           HA       ILE  44  -5.672  -9.629  11.296
  312    HB   ILE  44           HB       ILE  44  -3.219  -7.911  10.785
  313   1HG1  ILE  44          2HG1      ILE  44  -3.013 -10.850  10.706
  314   2HG1  ILE  44          1HG1      ILE  44  -4.019 -10.170   9.426
  315   1HG2  ILE  44          1HG2      ILE  44  -3.887  -8.651  13.207
  316   2HG2  ILE  44          3HG2      ILE  44  -3.376 -10.251  12.671
  317   3HG2  ILE  44          2HG2      ILE  44  -2.230  -8.911  12.661
  318   1HD1  ILE  44          2HD1      ILE  44  -1.734  -8.500   9.650
  319   2HD1  ILE  44          1HD1      ILE  44  -1.153 -10.165   9.639
  320   3HD1  ILE  44          3HD1      ILE  44  -2.157  -9.573   8.316
  321    H    SER  45           HN       SER  45  -4.945  -6.191  10.662
  322    HA   SER  45           HA       SER  45  -5.795  -5.403  13.372
  323   1HB   SER  45           HB2      SER  45  -4.048  -4.089  12.570
  324   2HB   SER  45           HB1      SER  45  -4.640  -4.136  10.912
  325    HG   SER  45           HG       SER  45  -6.091  -2.867  12.977
  326    H    ARG  46           HN       ARG  46  -7.425  -6.288  10.624
  327    HA   ARG  46           HA       ARG  46  -9.618  -5.908   9.841
  328   1HB   ARG  46           HB2      ARG  46 -10.097  -6.606  12.117
  329   2HB   ARG  46           HB1      ARG  46  -9.754  -4.986  12.727
  330   1HG   ARG  46           HG2      ARG  46 -11.638  -4.414  10.851
  331   2HG   ARG  46           HG1      ARG  46 -12.171  -6.016  11.362
  332   1HD   ARG  46           HD2      ARG  46 -12.230  -5.292  13.703
  333   2HD   ARG  46           HD1      ARG  46 -11.604  -3.696  13.244
  334    HE   ARG  46           HE       ARG  46 -14.081  -4.634  11.901
  335   1HH1  ARG  46          1HH1      ARG  46 -14.801  -2.351  11.326
  336   2HH1  ARG  46          2HH1      ARG  46 -15.091  -1.342  12.704
  337   1HH2  ARG  46          1HH2      ARG  46 -13.455  -3.448  14.921
  338   2HH2  ARG  46          2HH2      ARG  46 -14.329  -1.963  14.739
  339    H    ASN  47           HN       ASN  47  -8.477  -4.080   8.528
  340    HA   ASN  47           HA       ASN  47  -9.436  -1.389   9.431
  341   1HB   ASN  47           HB2      ASN  47  -7.115  -2.442   7.860
  342   2HB   ASN  47           HB1      ASN  47  -7.705  -0.824   7.480
  343   1HD2  ASN  47          1HD2      ASN  47  -5.261  -2.046   9.116
  344   2HD2  ASN  47          2HD2      ASN  47  -5.231  -1.059  10.497
  345    H    THR  48           HN       THR  48  -8.832  -3.123   6.382
  346    HA   THR  48           HA       THR  48 -10.190  -3.436   4.485
  347    HB   THR  48           HB       THR  48 -12.493  -3.313   4.745
  348    HG1  THR  48           HG1      THR  48 -12.542  -1.444   6.779
  349   1HG2  THR  48          3HG2      THR  48 -11.133  -4.349   6.829
  350   2HG2  THR  48          2HG2      THR  48 -12.071  -3.119   7.676
  351   3HG2  THR  48          1HG2      THR  48 -12.895  -4.361   6.734
  352    H    ALA  49           HN       ALA  49 -10.136  -0.211   5.999
  353    HA   ALA  49           HA       ALA  49  -9.605   0.933   3.322
  354   1HB   ALA  49           HB1      ALA  49 -12.146   0.798   4.165
  355   2HB   ALA  49           HB3      ALA  49 -11.674   2.278   5.000
  356   3HB   ALA  49           HB2      ALA  49 -11.548   2.180   3.243
  357    H    CYS  50           HN       CYS  50  -8.281   2.721   3.446
  358    HA   CYS  50           HA       CYS  50  -6.782   3.285   5.800
  359   1HB   CYS  50           HB2      CYS  50  -5.915   3.787   3.629
  360   2HB   CYS  50           HB1      CYS  50  -7.327   4.756   3.215
  361    HG   CYS  50           HG       CYS  50  -4.892   5.861   4.489
  362    H    GLN  51           HN       GLN  51  -6.868   5.133   7.218
  363    HA   GLN  51           HA       GLN  51  -9.612   6.230   7.576
  364   1HB   GLN  51           HB2      GLN  51  -7.164   5.755   9.231
  365   2HB   GLN  51           HB1      GLN  51  -8.267   7.033   9.744
  366   1HG   GLN  51           HG2      GLN  51  -9.203   4.231   9.084
  367   2HG   GLN  51           HG1      GLN  51  -8.743   4.726  10.714
  368   1HE2  GLN  51          1HE2      GLN  51 -10.242   5.982  11.915
  369   2HE2  GLN  51          2HE2      GLN  51 -11.745   6.484  11.305
  370    H    ILE  52           HN       ILE  52  -6.342   7.222   6.746
  371    HA   ILE  52           HA       ILE  52  -6.386   9.978   7.280
  372    HB   ILE  52           HB       ILE  52  -5.264   8.373   4.965
  373   1HG1  ILE  52          2HG1      ILE  52  -4.534   7.903   7.365
  374   2HG1  ILE  52          1HG1      ILE  52  -3.239   8.346   6.252
  375   1HG2  ILE  52          2HG2      ILE  52  -4.797  11.251   5.786
  376   2HG2  ILE  52          1HG2      ILE  52  -3.684  10.353   4.754
  377   3HG2  ILE  52          3HG2      ILE  52  -5.337  10.656   4.216
  378   1HD1  ILE  52          2HD1      ILE  52  -4.658  10.299   8.086
  379   2HD1  ILE  52          1HD1      ILE  52  -3.098   9.555   8.439
  380   3HD1  ILE  52          3HD1      ILE  52  -3.265  10.642   7.060
  381    H    CYS  53           HN       CYS  53  -7.578   8.331   4.314
  382    HA   CYS  53           HA       CYS  53  -9.167  10.813   3.734
  383   1HB   CYS  53           HB2      CYS  53  -8.889  10.025   1.327
  384   2HB   CYS  53           HB1      CYS  53  -7.403  10.540   2.123
  385    HG   CYS  53           HG       CYS  53  -7.792   7.570   2.500
  386    H    GLY  54           HN       GLY  54  -9.241   7.382   4.239
  387   1HA   GLY  54           HA1      GLY  54 -12.177   7.430   3.969
  388   2HA   GLY  54           HA2      GLY  54 -11.225   6.129   4.679
  389    H    VAL  55           HN       VAL  55  -9.403   5.800   2.436
  390    HA   VAL  55           HA       VAL  55 -11.258   4.993   0.231
  391    HB   VAL  55           HB       VAL  55  -8.237   5.252   0.381
  392   1HG1  VAL  55          3HG1      VAL  55 -10.163   4.525  -1.818
  393   2HG1  VAL  55          2HG1      VAL  55  -8.620   5.289  -2.196
  394   3HG1  VAL  55          1HG1      VAL  55  -8.653   3.733  -1.367
  395   1HG2  VAL  55          2HG2      VAL  55  -9.727   7.358   0.571
  396   2HG2  VAL  55          1HG2      VAL  55  -8.478   7.358  -0.675
  397   3HG2  VAL  55          3HG2      VAL  55 -10.158   7.041  -1.110
  398    H    VAL  56           HN       VAL  56 -11.730   2.832   0.034
  399    HA   VAL  56           HA       VAL  56 -10.749   0.870   1.880
  400    HB   VAL  56           HB       VAL  56 -12.037   0.479  -0.834
  401   1HG1  VAL  56          1HG1      VAL  56 -11.157  -1.314   1.181
  402   2HG1  VAL  56          3HG1      VAL  56 -12.919  -1.278   1.267
  403   3HG1  VAL  56          2HG1      VAL  56 -12.118  -1.692  -0.250
  404   1HG2  VAL  56          1HG2      VAL  56 -13.012   1.718   1.630
  405   2HG2  VAL  56          3HG2      VAL  56 -13.749   1.686   0.028
  406   3HG2  VAL  56          2HG2      VAL  56 -13.997   0.340   1.140
  407    H    TYR  57           HN       TYR  57  -9.332  -0.919   1.492
  408    HA   TYR  57           HA       TYR  57  -7.033  -0.341  -0.174
  409   1HB   TYR  57           HB2      TYR  57  -7.917  -2.804   1.357
  410   2HB   TYR  57           HB1      TYR  57  -6.289  -2.534   0.731
  411    HD1  TYR  57           HD1      TYR  57  -8.206  -2.327   3.613
  412    HD2  TYR  57           HD2      TYR  57  -5.397  -0.020   1.327
  413    HE1  TYR  57           HE1      TYR  57  -7.650  -1.004   5.632
  414    HE2  TYR  57           HE2      TYR  57  -4.839   1.303   3.345
  415    HH   TYR  57           HH       TYR  57  -5.506   1.802   5.461
  416    H    ASN  58           HN       ASN  58  -9.503  -2.918  -0.254
  417    HA   ASN  58           HA       ASN  58 -10.382  -4.113  -2.104
  418   1HB   ASN  58           HB2      ASN  58  -9.799  -1.533  -2.947
  419   2HB   ASN  58           HB1      ASN  58  -8.953  -2.537  -4.126
  420   1HD2  ASN  58          1HD2      ASN  58 -12.057  -3.102  -2.383
  421   2HD2  ASN  58          2HD2      ASN  58 -12.983  -3.301  -3.791
  422    H    THR  59           HN       THR  59  -9.402  -6.110  -2.221
  423    HA   THR  59           HA       THR  59  -6.750  -6.270  -3.607
  424    HB   THR  59           HB       THR  59  -5.946  -7.742  -1.908
  425    HG1  THR  59           HG1      THR  59  -7.401  -9.071  -1.203
  426   1HG2  THR  59          1HG2      THR  59  -6.604  -5.168  -1.328
  427   2HG2  THR  59          3HG2      THR  59  -7.478  -6.019  -0.054
  428   3HG2  THR  59          2HG2      THR  59  -5.734  -6.228  -0.219
  429    H    ARG  60           HN       ARG  60  -7.087  -7.490  -5.420
  430    HA   ARG  60           HA       ARG  60  -7.999  -9.133  -6.858
  431   1HB   ARG  60           HB2      ARG  60  -6.851 -10.277  -4.710
  432   2HB   ARG  60           HB1      ARG  60  -8.504 -10.848  -4.469
  433   1HG   ARG  60           HG2      ARG  60  -8.008 -12.483  -5.951
  434   2HG   ARG  60           HG1      ARG  60  -8.084 -11.229  -7.189
  435   1HD   ARG  60           HD2      ARG  60  -5.592 -10.757  -6.495
  436   2HD   ARG  60           HD1      ARG  60  -5.661 -12.412  -5.853
  437    HE   ARG  60           HE       ARG  60  -5.463 -11.811  -8.610
  438   1HH1  ARG  60          1HH1      ARG  60  -7.153 -12.696 -10.088
  439   2HH1  ARG  60          2HH1      ARG  60  -7.741 -14.271  -9.670
  440   1HH2  ARG  60          1HH2      ARG  60  -6.357 -14.237  -6.491
  441   2HH2  ARG  60          2HH2      ARG  60  -7.291 -15.143  -7.634

  No H/Q in entry =         441
  Start of MODEL   26
    1    H1   MET   1           HT3      MET   1   0.449   4.331  13.927
    2    H2   MET   1           HT2      MET   1   1.789   3.970  14.907
    3    H3   MET   1           HT1      MET   1   1.085   5.516  14.961
    4    HA   MET   1           HA       MET   1   2.916   5.918  13.629
    5   1HB   MET   1           HB2      MET   1   2.804   3.117  13.554
    6   2HB   MET   1           HB1      MET   1   2.716   3.610  11.862
    7   1HG   MET   1           HG2      MET   1   4.826   4.461  13.867
    8   2HG   MET   1           HG1      MET   1   5.058   3.349  12.518
    9   1HE   MET   1           HE2      MET   1   6.924   4.452  11.440
   10   2HE   MET   1           HE1      MET   1   5.730   4.003  10.225
   11   3HE   MET   1           HE3      MET   1   6.579   5.550  10.106
   12    H    GLU   2           HN       GLU   2   0.991   7.384  13.040
   13    HA   GLU   2           HA       GLU   2   0.036   6.768  10.264
   14   1HB   GLU   2           HB2      GLU   2  -1.246   8.117  12.645
   15   2HB   GLU   2           HB1      GLU   2  -1.896   8.296  11.015
   16   1HG   GLU   2           HG2      GLU   2  -1.674   5.642  11.019
   17   2HG   GLU   2           HG1      GLU   2  -1.801   5.872  12.763
   18    H    ASP   3           HN       ASP   3   0.731   9.457  12.507
   19    HA   ASP   3           HA       ASP   3   1.322  11.203  10.171
   20   1HB   ASP   3           HB2      ASP   3  -0.311  11.758  12.083
   21   2HB   ASP   3           HB1      ASP   3   1.125  11.969  13.084
   22    H    GLU   4           HN       GLU   4   2.662  10.559  13.399
   23    HA   GLU   4           HA       GLU   4   5.105  11.766  13.391
   24   1HB   GLU   4           HB2      GLU   4   5.879   9.635  14.575
   25   2HB   GLU   4           HB1      GLU   4   4.385  10.347  15.188
   26   1HG   GLU   4           HG2      GLU   4   3.246   8.761  13.402
   27   2HG   GLU   4           HG1      GLU   4   4.761   7.865  13.540
   28    H    ASP   5           HN       ASP   5   7.045  11.597  12.279
   29    HA   ASP   5           HA       ASP   5   8.546  10.955  10.568
   30   1HB   ASP   5           HB2      ASP   5   8.490   8.985  12.154
   31   2HB   ASP   5           HB1      ASP   5   7.285   8.247  11.097
   32    H    VAL   6           HN       VAL   6   8.608   9.944   8.317
   33    HA   VAL   6           HA       VAL   6   5.883   9.931   7.058
   34    HB   VAL   6           HB       VAL   6   8.484  11.139   6.070
   35   1HG1  VAL   6          3HG1      VAL   6   6.895  10.121   4.335
   36   2HG1  VAL   6          2HG1      VAL   6   5.746  11.372   4.812
   37   3HG1  VAL   6          1HG1      VAL   6   7.303  11.823   4.118
   38   1HG2  VAL   6          2HG2      VAL   6   6.240  12.150   7.646
   39   2HG2  VAL   6          1HG2      VAL   6   7.807  12.894   7.330
   40   3HG2  VAL   6          3HG2      VAL   6   6.490  13.086   6.173
   41    HA   PRO   7           HA       PRO   7   7.669   5.969   5.856
   42   1HB   PRO   7           HB2      PRO   7   5.299   4.898   5.018
   43   2HB   PRO   7           HB1      PRO   7   5.779   4.966   6.727
   44   1HG   PRO   7           HG2      PRO   7   3.931   6.732   5.205
   45   2HG   PRO   7           HG1      PRO   7   3.794   6.115   6.859
   46   1HD   PRO   7           HD2      PRO   7   4.605   8.649   6.268
   47   2HD   PRO   7           HD1      PRO   7   5.120   7.772   7.726
   48    H    VAL   8           HN       VAL   8   7.798   4.852   3.746
   49    HA   VAL   8           HA       VAL   8   7.138   6.656   1.441
   50    HB   VAL   8           HB       VAL   8   9.423   4.688   1.580
   51   1HG1  VAL   8          2HG1      VAL   8   8.618   5.780  -0.586
   52   2HG1  VAL   8          1HG1      VAL   8   9.193   7.307   0.088
   53   3HG1  VAL   8          3HG1      VAL   8  10.327   5.987  -0.201
   54   1HG2  VAL   8          2HG2      VAL   8   9.122   7.322   2.920
   55   2HG2  VAL   8          1HG2      VAL   8  10.168   5.965   3.332
   56   3HG2  VAL   8          3HG2      VAL   8  10.631   7.074   2.041
   57    H    CYS   9           HN       CYS   9   6.280   5.660  -0.411
   58    HA   CYS   9           HA       CYS   9   4.871   3.175  -0.110
   59   1HB   CYS   9           HB2      CYS   9   4.077   4.869  -1.608
   60   2HB   CYS   9           HB1      CYS   9   5.621   4.935  -2.455
   61    H    TRP  10           HN       TRP  10   5.823   1.199  -0.111
   62    HA   TRP  10           HA       TRP  10   8.522   0.619  -0.744
   63   1HB   TRP  10           HB2      TRP  10   7.723  -1.710  -0.563
   64   2HB   TRP  10           HB1      TRP  10   6.983  -0.699   0.679
   65    HD1  TRP  10           HD1      TRP  10   4.424   0.028   0.330
   66    HE1  TRP  10           HE1      TRP  10   2.530  -1.073  -1.038
   67    HE3  TRP  10           HE3      TRP  10   7.174  -3.063  -2.672
   68    HZ2  TRP  10           HZ2      TRP  10   2.226  -3.006  -3.131
   69    HZ3  TRP  10           HZ3      TRP  10   6.061  -4.519  -4.340
   70    HH2  TRP  10           HH2      TRP  10   3.593  -4.495  -4.573
   71    H    ILE  11           HN       ILE  11   5.805   0.982  -2.889
   72    HA   ILE  11           HA       ILE  11   6.858  -0.711  -5.022
   73    HB   ILE  11           HB       ILE  11   4.760   1.477  -5.101
   74   1HG1  ILE  11          2HG1      ILE  11   4.622  -1.427  -4.240
   75   2HG1  ILE  11          1HG1      ILE  11   4.186  -0.006  -3.291
   76   1HG2  ILE  11          1HG2      ILE  11   5.254  -1.012  -6.767
   77   2HG2  ILE  11          3HG2      ILE  11   3.828   0.017  -6.905
   78   3HG2  ILE  11          2HG2      ILE  11   5.422   0.660  -7.303
   79   1HD1  ILE  11          2HD1      ILE  11   2.390   0.499  -4.956
   80   2HD1  ILE  11          1HD1      ILE  11   2.780  -1.010  -5.782
   81   3HD1  ILE  11          3HD1      ILE  11   2.152  -1.044  -4.135
   82    H    CYS  12           HN       CYS  12   6.369   2.851  -4.843
   83    HA   CYS  12           HA       CYS  12   8.425   3.136  -6.988
   84   1HB   CYS  12           HB2      CYS  12   7.414   5.428  -7.163
   85   2HB   CYS  12           HB1      CYS  12   6.245   4.131  -7.402
   86    H    ASN  13           HN       ASN  13   8.413   3.104  -3.706
   87    HA   ASN  13           HA       ASN  13   9.887   3.970  -2.078
   88   1HB   ASN  13           HB2      ASN  13  11.388   4.650  -4.628
   89   2HB   ASN  13           HB1      ASN  13  12.095   4.644  -3.013
   90   1HD2  ASN  13          1HD2      ASN  13  12.098   2.499  -1.848
   91   2HD2  ASN  13          2HD2      ASN  13  12.126   1.068  -2.761
   92    H    GLU  14           HN       GLU  14   7.744   5.671  -2.646
   93    HA   GLU  14           HA       GLU  14   9.047   8.377  -2.596
   94   1HB   GLU  14           HB2      GLU  14   7.842   8.141  -4.650
   95   2HB   GLU  14           HB1      GLU  14   6.477   7.372  -3.840
   96   1HG   GLU  14           HG2      GLU  14   5.587   9.360  -3.183
   97   2HG   GLU  14           HG1      GLU  14   7.166  10.049  -2.805
   98    H    GLU  15           HN       GLU  15   8.533   9.607  -0.801
   99    HA   GLU  15           HA       GLU  15   7.199   8.493   1.464
  100   1HB   GLU  15           HB2      GLU  15   8.384  11.030   0.563
  101   2HB   GLU  15           HB1      GLU  15   7.110  11.237   1.765
  102   1HG   GLU  15           HG2      GLU  15   8.696  10.764   3.305
  103   2HG   GLU  15           HG1      GLU  15   8.564   9.094   2.753
  104    H    LEU  16           HN       LEU  16   5.032   8.527   2.074
  105    HA   LEU  16           HA       LEU  16   3.165   9.981   0.238
  106   1HB   LEU  16           HB2      LEU  16   1.541   8.204   1.384
  107   2HB   LEU  16           HB1      LEU  16   2.549   7.757   0.015
  108    HG   LEU  16           HG       LEU  16   3.478   7.385   2.871
  109   1HD1  LEU  16          2HD1      LEU  16   1.444   5.920   1.360
  110   2HD1  LEU  16          1HD1      LEU  16   2.781   4.886   1.862
  111   3HD1  LEU  16          3HD1      LEU  16   1.870   5.800   3.067
  112   1HD2  LEU  16          2HD2      LEU  16   4.757   7.130   0.394
  113   2HD2  LEU  16          1HD2      LEU  16   5.308   6.441   1.924
  114   3HD2  LEU  16          3HD2      LEU  16   4.319   5.477   0.828
  115    H    GLY  17           HN       GLY  17   4.126   9.410   3.555
  116   1HA   GLY  17           HA1      GLY  17   2.825  11.886   4.388
  117   2HA   GLY  17           HA2      GLY  17   3.833  10.857   5.397
  118    H    ASN  18           HN       ASN  18   1.016   9.621   3.654
  119    HA   ASN  18           HA       ASN  18  -0.134   8.236   5.788
  120   1HB   ASN  18           HB2      ASN  18  -0.337  10.205   7.099
  121   2HB   ASN  18           HB1      ASN  18  -0.829  11.179   5.714
  122   1HD2  ASN  18          1HD2      ASN  18  -3.063  11.426   5.405
  123   2HD2  ASN  18          2HD2      ASN  18  -4.250  10.515   6.206
  124    H    GLU  19           HN       GLU  19  -0.359   7.267   3.474
  125    HA   GLU  19           HA       GLU  19  -2.660   8.348   1.945
  126   1HB   GLU  19           HB2      GLU  19  -0.289   6.799   1.460
  127   2HB   GLU  19           HB1      GLU  19  -1.689   5.851   0.955
  128   1HG   GLU  19           HG2      GLU  19  -1.477   8.752   0.189
  129   2HG   GLU  19           HG1      GLU  19  -0.626   7.524  -0.748
  130    H    ARG  20           HN       ARG  20  -4.605   7.804   2.969
  131    HA   ARG  20           HA       ARG  20  -5.013   5.488   4.591
  132   1HB   ARG  20           HB2      ARG  20  -6.359   7.777   3.967
  133   2HB   ARG  20           HB1      ARG  20  -7.296   6.595   3.052
  134   1HG   ARG  20           HG2      ARG  20  -8.376   6.255   5.023
  135   2HG   ARG  20           HG1      ARG  20  -6.962   5.282   5.428
  136   1HD   ARG  20           HD2      ARG  20  -6.581   6.696   7.159
  137   2HD   ARG  20           HD1      ARG  20  -6.243   7.972   5.971
  138    HE   ARG  20           HE       ARG  20  -8.822   7.537   7.347
  139   1HH1  ARG  20          1HH1      ARG  20  -9.090   7.987   4.320
  140   2HH1  ARG  20          2HH1      ARG  20  -9.326   9.702   4.269
  141   1HH2  ARG  20          1HH2      ARG  20  -8.231  10.215   7.519
  142   2HH2  ARG  20          2HH2      ARG  20  -8.841  10.964   6.081
  143    H    PHE  21           HN       PHE  21  -4.271   3.615   3.487
  144    HA   PHE  21           HA       PHE  21  -6.125   2.595   1.414
  145   1HB   PHE  21           HB2      PHE  21  -4.419   3.774   0.157
  146   2HB   PHE  21           HB1      PHE  21  -3.138   3.003   1.090
  147    HD1  PHE  21           HD1      PHE  21  -2.194   2.258  -1.126
  148    HD2  PHE  21           HD2      PHE  21  -6.018   0.938   0.314
  149    HE1  PHE  21           HE1      PHE  21  -2.147   0.377  -2.734
  150    HE2  PHE  21           HE2      PHE  21  -5.972  -0.950  -1.296
  151    HZ   PHE  21           HZ       PHE  21  -4.036  -1.232  -2.820
  152    H    ARG  22           HN       ARG  22  -6.732   0.878   2.822
  153    HA   ARG  22           HA       ARG  22  -4.765  -0.686   4.298
  154   1HB   ARG  22           HB2      ARG  22  -7.679  -1.124   3.556
  155   2HB   ARG  22           HB1      ARG  22  -6.790  -2.104   4.724
  156   1HG   ARG  22           HG2      ARG  22  -6.373  -0.113   6.104
  157   2HG   ARG  22           HG1      ARG  22  -7.221   0.892   4.928
  158   1HD   ARG  22           HD2      ARG  22  -8.842  -1.400   5.734
  159   2HD   ARG  22           HD1      ARG  22  -8.397  -0.378   7.116
  160    HE   ARG  22           HE       ARG  22  -9.841   0.572   4.684
  161   1HH1  ARG  22          1HH1      ARG  22  -7.862   1.817   7.066
  162   2HH1  ARG  22          2HH1      ARG  22  -9.012   2.951   7.691
  163   1HH2  ARG  22          1HH2      ARG  22 -11.652   1.706   5.817
  164   2HH2  ARG  22          2HH2      ARG  22 -11.159   2.889   6.982
  165    H    ALA  23           HN       ALA  23  -3.265  -1.464   2.677
  166    HA   ALA  23           HA       ALA  23  -4.446  -3.332   0.650
  167   1HB   ALA  23           HB2      ALA  23  -2.837  -2.555  -0.790
  168   2HB   ALA  23           HB3      ALA  23  -1.626  -2.409   0.484
  169   3HB   ALA  23           HB1      ALA  23  -2.861  -1.164   0.294
  170    H    CYS  24           HN       CYS  24  -2.534  -3.179   3.510
  171    HA   CYS  24           HA       CYS  24  -2.252  -6.044   3.619
  172   1HB   CYS  24           HB2      CYS  24  -0.604  -5.973   2.002
  173   2HB   CYS  24           HB1      CYS  24  -0.098  -4.346   2.434
  174    H    GLY  25           HN       GLY  25  -0.862  -6.689   5.502
  175   1HA   GLY  25           HA1      GLY  25  -1.252  -6.146   7.939
  176   2HA   GLY  25           HA2      GLY  25  -0.741  -4.503   7.544
  177    H    CYS  26           HN       CYS  26   1.471  -4.903   5.992
  178    HA   CYS  26           HA       CYS  26   3.286  -6.874   7.172
  179   1HB   CYS  26           HB2      CYS  26   3.163  -4.961   4.957
  180   2HB   CYS  26           HB1      CYS  26   4.758  -5.023   5.707
  181    H    THR  27           HN       THR  27   5.619  -5.631   7.627
  182    HA   THR  27           HA       THR  27   5.022  -3.498   9.653
  183    HB   THR  27           HB       THR  27   5.428  -5.874  10.508
  184    HG1  THR  27           HG1      THR  27   7.480  -4.194  11.397
  185   1HG2  THR  27          3HG2      THR  27   8.230  -5.227   9.548
  186   2HG2  THR  27          2HG2      THR  27   7.777  -6.622  10.528
  187   3HG2  THR  27          1HG2      THR  27   7.176  -6.472   8.877
  188    H    GLY  28           HN       GLY  28   6.090  -3.366   6.824
  189   1HA   GLY  28           HA1      GLY  28   8.678  -3.065   6.287
  190   2HA   GLY  28           HA2      GLY  28   8.513  -1.798   7.501
  191    H    GLU  29           HN       GLU  29   8.920  -1.913   4.421
  192    HA   GLU  29           HA       GLU  29   7.738   0.582   3.765
  193   1HB   GLU  29           HB2      GLU  29   8.466  -0.028   1.499
  194   2HB   GLU  29           HB1      GLU  29   9.673  -0.550   2.674
  195   1HG   GLU  29           HG2      GLU  29   8.697  -2.824   2.663
  196   2HG   GLU  29           HG1      GLU  29   7.516  -2.306   1.459
  197    H    LEU  30           HN       LEU  30   6.568  -2.735   3.230
  198    HA   LEU  30           HA       LEU  30   4.388  -2.136   1.500
  199   1HB   LEU  30           HB2      LEU  30   5.563  -4.344   2.490
  200   2HB   LEU  30           HB1      LEU  30   4.144  -4.297   3.537
  201    HG   LEU  30           HG       LEU  30   3.573  -5.601   1.577
  202   1HD1  LEU  30          1HD1      LEU  30   1.909  -3.919   2.473
  203   2HD1  LEU  30          3HD1      LEU  30   2.422  -2.827   1.187
  204   3HD1  LEU  30          2HD1      LEU  30   1.658  -4.366   0.786
  205   1HD2  LEU  30          3HD2      LEU  30   5.050  -3.416   0.219
  206   2HD2  LEU  30          2HD2      LEU  30   4.915  -5.120  -0.214
  207   3HD2  LEU  30          1HD2      LEU  30   3.617  -3.999  -0.630
  208    H    GLU  31           HN       GLU  31   4.784  -1.346   4.828
  209    HA   GLU  31           HA       GLU  31   2.017  -1.494   5.665
  210   1HB   GLU  31           HB2      GLU  31   4.527  -0.954   6.766
  211   2HB   GLU  31           HB1      GLU  31   3.663   0.577   6.920
  212   1HG   GLU  31           HG2      GLU  31   1.801  -1.421   7.621
  213   2HG   GLU  31           HG1      GLU  31   3.307  -1.865   8.425
  214    H    ASN  32           HN       ASN  32   3.983   1.032   4.117
  215    HA   ASN  32           HA       ASN  32   1.482   2.677   3.844
  216   1HB   ASN  32           HB2      ASN  32   4.360   3.618   3.940
  217   2HB   ASN  32           HB1      ASN  32   2.909   4.609   4.061
  218   1HD2  ASN  32          1HD2      ASN  32   5.291   3.191   5.922
  219   2HD2  ASN  32          2HD2      ASN  32   4.462   3.090   7.402
  220    H    VAL  33           HN       VAL  33   0.845   2.778   1.724
  221    HA   VAL  33           HA       VAL  33   2.918   3.074  -0.382
  222    HB   VAL  33           HB       VAL  33   2.677   0.701  -0.255
  223   1HG1  VAL  33          3HG1      VAL  33   0.609   0.781   1.166
  224   2HG1  VAL  33          2HG1      VAL  33  -0.326   1.115  -0.291
  225   3HG1  VAL  33          1HG1      VAL  33   0.524  -0.421  -0.122
  226   1HG2  VAL  33          2HG2      VAL  33   2.099   2.081  -2.505
  227   2HG2  VAL  33          1HG2      VAL  33   2.161   0.318  -2.453
  228   3HG2  VAL  33          3HG2      VAL  33   0.611   1.151  -2.334
  229    H    HIS  34           HN       HIS  34   2.151   4.287  -2.140
  230    HA   HIS  34           HA       HIS  34  -0.307   5.778  -1.865
  231   1HB   HIS  34           HB2      HIS  34   1.367   5.202  -4.324
  232   2HB   HIS  34           HB1      HIS  34   0.235   6.531  -4.143
  233    HD2  HIS  34           HD2      HIS  34   1.083   8.430  -2.014
  234    HE1  HIS  34           HE1      HIS  34   5.155   7.374  -2.467
  235    HE2  HIS  34           HE2      HIS  34   3.546   9.053  -1.495
  236    H    ARG  35           HN       ARG  35  -2.367   5.054  -2.323
  237    HA   ARG  35           HA       ARG  35  -2.942   2.448  -3.355
  238   1HB   ARG  35           HB2      ARG  35  -4.509   3.689  -1.985
  239   2HB   ARG  35           HB1      ARG  35  -4.537   5.020  -3.142
  240   1HG   ARG  35           HG2      ARG  35  -5.691   3.718  -4.769
  241   2HG   ARG  35           HG1      ARG  35  -5.376   2.217  -3.898
  242   1HD   ARG  35           HD2      ARG  35  -7.347   2.480  -2.815
  243   2HD   ARG  35           HD1      ARG  35  -6.719   3.975  -2.093
  244    HE   ARG  35           HE       ARG  35  -7.376   4.780  -4.634
  245   1HH1  ARG  35          1HH1      ARG  35  -9.223   2.263  -3.709
  246   2HH1  ARG  35          2HH1      ARG  35 -10.705   3.135  -3.498
  247   1HH2  ARG  35          1HH2      ARG  35  -9.206   6.255  -3.707
  248   2HH2  ARG  35          2HH2      ARG  35 -10.695   5.396  -3.496
  249    H    SER  36           HN       SER  36  -1.995   5.357  -4.898
  250    HA   SER  36           HA       SER  36  -3.314   5.017  -7.444
  251   1HB   SER  36           HB2      SER  36  -2.570   7.169  -7.107
  252   2HB   SER  36           HB1      SER  36  -1.141   6.644  -6.220
  253    HG   SER  36           HG       SER  36  -0.497   7.402  -8.220
  254    H    CYS  37           HN       CYS  37   0.151   4.502  -6.546
  255    HA   CYS  37           HA       CYS  37   0.632   3.077  -9.055
  256   1HB   CYS  37           HB2      CYS  37   2.891   2.747  -8.010
  257   2HB   CYS  37           HB1      CYS  37   2.368   4.425  -8.034
  258    HG   CYS  37           HG       CYS  37   3.176   3.107  -5.581
  259    H    LEU  38           HN       LEU  38  -0.128   2.111  -5.732
  260    HA   LEU  38           HA       LEU  38   0.660  -0.672  -6.141
  261   1HB   LEU  38           HB2      LEU  38   0.680   0.200  -3.928
  262   2HB   LEU  38           HB1      LEU  38  -0.948   0.856  -4.085
  263    HG   LEU  38           HG       LEU  38  -1.939  -1.309  -4.003
  264   1HD1  LEU  38          1HD1      LEU  38   0.876  -2.405  -4.301
  265   2HD1  LEU  38          3HD1      LEU  38  -0.572  -3.382  -4.052
  266   3HD1  LEU  38          2HD1      LEU  38  -0.389  -2.439  -5.530
  267   1HD2  LEU  38          2HD2      LEU  38  -0.669  -0.347  -1.873
  268   2HD2  LEU  38          1HD2      LEU  38  -1.411  -1.947  -1.832
  269   3HD2  LEU  38          3HD2      LEU  38   0.325  -1.785  -2.097
  270    H    SER  39           HN       SER  39  -2.575   0.818  -5.652
  271    HA   SER  39           HA       SER  39  -4.172  -1.373  -6.326
  272   1HB   SER  39           HB2      SER  39  -4.697   1.058  -5.546
  273   2HB   SER  39           HB1      SER  39  -4.765   1.431  -7.266
  274    HG   SER  39           HG       SER  39  -6.730   0.586  -5.946
  275    H    THR  40           HN       THR  40  -2.464   0.859  -8.495
  276    HA   THR  40           HA       THR  40  -3.660  -0.342 -10.906
  277    HB   THR  40           HB       THR  40  -3.051   2.087 -10.615
  278    HG1  THR  40           HG1      THR  40  -1.493   0.918 -12.653
  279   1HG2  THR  40          3HG2      THR  40  -0.936   1.591  -9.350
  280   2HG2  THR  40          2HG2      THR  40  -0.210   1.075 -10.872
  281   3HG2  THR  40          1HG2      THR  40  -0.730   2.747 -10.664
  282    H    TRP  41           HN       TRP  41  -0.527  -0.369  -9.206
  283    HA   TRP  41           HA       TRP  41   0.972  -1.848 -11.115
  284   1HB   TRP  41           HB2      TRP  41   2.138  -0.844  -9.334
  285   2HB   TRP  41           HB1      TRP  41   1.027  -1.475  -8.122
  286    HD1  TRP  41           HD1      TRP  41   3.865  -2.611 -10.457
  287    HE1  TRP  41           HE1      TRP  41   4.904  -4.766  -9.496
  288    HE3  TRP  41           HE3      TRP  41   0.663  -3.485  -6.581
  289    HZ2  TRP  41           HZ2      TRP  41   4.436  -6.618  -7.360
  290    HZ3  TRP  41           HZ3      TRP  41   0.977  -5.444  -5.100
  291    HH2  TRP  41           HH2      TRP  41   2.856  -7.014  -5.480
  292    H    LEU  42           HN       LEU  42  -0.713  -3.126  -8.190
  293    HA   LEU  42           HA       LEU  42  -0.342  -5.861  -8.706
  294   1HB   LEU  42           HB2      LEU  42  -2.544  -6.088  -7.434
  295   2HB   LEU  42           HB1      LEU  42  -1.300  -5.132  -6.637
  296    HG   LEU  42           HG       LEU  42  -2.538  -3.169  -8.017
  297   1HD1  LEU  42          1HD1      LEU  42  -4.647  -5.265  -7.427
  298   2HD1  LEU  42          3HD1      LEU  42  -5.002  -3.578  -7.797
  299   3HD1  LEU  42          2HD1      LEU  42  -4.235  -4.604  -9.008
  300   1HD2  LEU  42          1HD2      LEU  42  -2.884  -4.370  -5.315
  301   2HD2  LEU  42          3HD2      LEU  42  -2.364  -2.746  -5.758
  302   3HD2  LEU  42          2HD2      LEU  42  -4.075  -3.166  -5.801
  303    H    THR  43           HN       THR  43  -2.633  -3.615 -10.201
  304    HA   THR  43           HA       THR  43  -4.266  -5.601 -11.507
  305    HB   THR  43           HB       THR  43  -3.603  -2.694 -12.052
  306    HG1  THR  43           HG1      THR  43  -4.908  -2.620 -10.401
  307   1HG2  THR  43          2HG2      THR  43  -4.870  -4.605 -13.780
  308   2HG2  THR  43          1HG2      THR  43  -6.072  -3.433 -13.240
  309   3HG2  THR  43          3HG2      THR  43  -4.606  -2.882 -14.052
  310    H    ILE  44           HN       ILE  44  -1.509  -3.629 -12.673
  311    HA   ILE  44           HA       ILE  44  -1.343  -4.863 -15.264
  312    HB   ILE  44           HB       ILE  44   0.434  -3.230 -13.461
  313   1HG1  ILE  44          2HG1      ILE  44  -0.144  -2.480 -16.268
  314   2HG1  ILE  44          1HG1      ILE  44  -1.553  -2.577 -15.211
  315   1HG2  ILE  44          2HG2      ILE  44   1.237  -4.774 -15.898
  316   2HG2  ILE  44          1HG2      ILE  44   1.903  -3.156 -15.677
  317   3HG2  ILE  44          3HG2      ILE  44   2.174  -4.396 -14.453
  318   1HD1  ILE  44          3HD1      ILE  44   0.090  -1.237 -13.566
  319   2HD1  ILE  44          2HD1      ILE  44   0.770  -0.712 -15.106
  320   3HD1  ILE  44          1HD1      ILE  44  -0.930  -0.412 -14.746
  321    H    SER  45           HN       SER  45   0.546  -5.396 -12.263
  322    HA   SER  45           HA       SER  45   1.952  -7.707 -13.339
  323   1HB   SER  45           HB2      SER  45   2.852  -6.218 -11.591
  324   2HB   SER  45           HB1      SER  45   1.526  -6.659 -10.519
  325    HG   SER  45           HG       SER  45   3.842  -7.958 -11.035
  326    H    ARG  46           HN       ARG  46  -1.222  -7.265 -12.325
  327    HA   ARG  46           HA       ARG  46  -2.960  -8.812 -11.921
  328   1HB   ARG  46           HB2      ARG  46  -1.304  -9.973 -13.665
  329   2HB   ARG  46           HB1      ARG  46  -1.036 -11.067 -12.307
  330   1HG   ARG  46           HG2      ARG  46  -2.952 -12.119 -12.837
  331   2HG   ARG  46           HG1      ARG  46  -3.827 -10.643 -12.427
  332   1HD   ARG  46           HD2      ARG  46  -4.441 -10.540 -14.611
  333   2HD   ARG  46           HD1      ARG  46  -2.748 -10.154 -14.982
  334    HE   ARG  46           HE       ARG  46  -3.264 -13.014 -14.586
  335   1HH1  ARG  46          1HH1      ARG  46  -1.529 -11.001 -16.458
  336   2HH1  ARG  46          2HH1      ARG  46  -1.954 -11.689 -17.989
  337   1HH2  ARG  46          1HH2      ARG  46  -4.510 -13.646 -16.699
  338   2HH2  ARG  46          2HH2      ARG  46  -3.641 -13.187 -18.126
  339    H    ASN  47           HN       ASN  47  -2.289  -7.901  -9.603
  340    HA   ASN  47           HA       ASN  47  -1.745 -10.284  -7.868
  341   1HB   ASN  47           HB2      ASN  47  -0.758  -7.423  -7.606
  342   2HB   ASN  47           HB1      ASN  47  -0.513  -8.676  -6.390
  343   1HD2  ASN  47          1HD2      ASN  47   1.318  -7.162  -8.509
  344   2HD2  ASN  47          2HD2      ASN  47   2.251  -8.432  -9.141
  345    H    THR  48           HN       THR  48  -2.985 -10.299  -5.905
  346    HA   THR  48           HA       THR  48  -5.054  -8.140  -5.682
  347    HB   THR  48           HB       THR  48  -6.670  -9.953  -5.188
  348    HG1  THR  48           HG1      THR  48  -5.898 -12.109  -5.631
  349   1HG2  THR  48          2HG2      THR  48  -5.437  -9.373  -7.677
  350   2HG2  THR  48          1HG2      THR  48  -5.725 -11.112  -7.639
  351   3HG2  THR  48          3HG2      THR  48  -7.065  -9.991  -7.398
  352    H    ALA  49           HN       ALA  49  -2.660 -10.025  -4.110
  353    HA   ALA  49           HA       ALA  49  -3.403  -8.809  -1.513
  354   1HB   ALA  49           HB3      ALA  49  -2.822 -11.731  -1.487
  355   2HB   ALA  49           HB1      ALA  49  -4.400 -11.238  -2.103
  356   3HB   ALA  49           HB2      ALA  49  -3.914 -10.795  -0.466
  357    H    CYS  50           HN       CYS  50  -1.608  -8.582  -0.140
  358    HA   CYS  50           HA       CYS  50   1.008  -8.505  -1.292
  359   1HB   CYS  50           HB2      CYS  50   0.269  -7.165   0.625
  360   2HB   CYS  50           HB1      CYS  50   0.032  -8.624   1.585
  361    HG   CYS  50           HG       CYS  50   2.602  -7.192   1.426
  362    H    GLN  51           HN       GLN  51   2.543 -10.114  -1.505
  363    HA   GLN  51           HA       GLN  51   1.857 -12.858  -0.687
  364   1HB   GLN  51           HB2      GLN  51   3.970 -11.476  -2.326
  365   2HB   GLN  51           HB1      GLN  51   4.182 -13.165  -1.866
  366   1HG   GLN  51           HG2      GLN  51   1.615 -12.214  -3.132
  367   2HG   GLN  51           HG1      GLN  51   3.003 -12.671  -4.121
  368   1HE2  GLN  51          1HE2      GLN  51   0.991 -14.338  -4.611
  369   2HE2  GLN  51          2HE2      GLN  51   1.116 -15.803  -3.763
  370    H    ILE  52           HN       ILE  52   3.548 -10.248   0.718
  371    HA   ILE  52           HA       ILE  52   5.677 -11.689   2.042
  372    HB   ILE  52           HB       ILE  52   4.227  -9.098   2.662
  373   1HG1  ILE  52          2HG1      ILE  52   5.398  -9.351   0.414
  374   2HG1  ILE  52          1HG1      ILE  52   5.987  -8.030   1.423
  375   1HG2  ILE  52          3HG2      ILE  52   6.645 -10.430   3.841
  376   2HG2  ILE  52          2HG2      ILE  52   6.584  -8.670   3.751
  377   3HG2  ILE  52          1HG2      ILE  52   5.351  -9.550   4.653
  378   1HD1  ILE  52          1HD1      ILE  52   7.269 -10.747   1.593
  379   2HD1  ILE  52          3HD1      ILE  52   7.728  -9.629   0.308
  380   3HD1  ILE  52          2HD1      ILE  52   7.954  -9.173   1.997
  381    H    CYS  53           HN       CYS  53   2.491 -10.521   3.217
  382    HA   CYS  53           HA       CYS  53   2.720 -12.493   5.469
  383   1HB   CYS  53           HB2      CYS  53   1.169 -10.882   6.615
  384   2HB   CYS  53           HB1      CYS  53   2.707 -10.148   6.157
  385    HG   CYS  53           HG       CYS  53   1.413  -8.539   4.807
  386    H    GLY  54           HN       GLY  54   0.924 -11.560   2.667
  387   1HA   GLY  54           HA1      GLY  54  -0.958 -13.785   3.153
  388   2HA   GLY  54           HA2      GLY  54  -0.727 -12.945   1.621
  389    H    VAL  55           HN       VAL  55  -1.127 -10.289   2.375
  390    HA   VAL  55           HA       VAL  55  -3.908 -10.325   3.506
  391    HB   VAL  55           HB       VAL  55  -1.834  -8.111   3.369
  392   1HG1  VAL  55          2HG1      VAL  55  -4.644  -8.293   4.439
  393   2HG1  VAL  55          1HG1      VAL  55  -3.491  -7.154   5.135
  394   3HG1  VAL  55          3HG1      VAL  55  -3.927  -7.036   3.431
  395   1HG2  VAL  55          1HG2      VAL  55  -1.478 -10.163   4.932
  396   2HG2  VAL  55          3HG2      VAL  55  -1.357  -8.549   5.635
  397   3HG2  VAL  55          2HG2      VAL  55  -2.827  -9.500   5.855
  398    H    VAL  56           HN       VAL  56  -5.541  -9.549   2.177
  399    HA   VAL  56           HA       VAL  56  -5.015  -9.141  -0.636
  400    HB   VAL  56           HB       VAL  56  -7.515  -8.411   0.898
  401   1HG1  VAL  56          3HG1      VAL  56  -6.840  -8.382  -1.800
  402   2HG1  VAL  56          2HG1      VAL  56  -7.712  -9.902  -1.608
  403   3HG1  VAL  56          1HG1      VAL  56  -8.479  -8.382  -1.147
  404   1HG2  VAL  56          2HG2      VAL  56  -6.280 -11.091   0.338
  405   2HG2  VAL  56          1HG2      VAL  56  -7.154 -10.545   1.769
  406   3HG2  VAL  56          3HG2      VAL  56  -8.036 -10.931   0.291
  407    H    TYR  57           HN       TYR  57  -5.159  -7.210  -1.848
  408    HA   TYR  57           HA       TYR  57  -4.322  -4.773  -0.511
  409   1HB   TYR  57           HB2      TYR  57  -5.295  -5.286  -3.340
  410   2HB   TYR  57           HB1      TYR  57  -4.323  -3.914  -2.806
  411    HD1  TYR  57           HD1      TYR  57  -2.536  -5.342  -0.863
  412    HD2  TYR  57           HD2      TYR  57  -3.771  -6.370  -4.841
  413    HE1  TYR  57           HE1      TYR  57  -0.471  -6.672  -1.155
  414    HE2  TYR  57           HE2      TYR  57  -1.704  -7.700  -5.140
  415    HH   TYR  57           HH       TYR  57  -0.051  -8.871  -3.691
  416    H    ASN  58           HN       ASN  58  -6.425  -4.929   0.914
  417    HA   ASN  58           HA       ASN  58  -9.026  -4.419   0.036
  418   1HB   ASN  58           HB2      ASN  58  -7.488  -4.307   2.413
  419   2HB   ASN  58           HB1      ASN  58  -8.365  -2.779   2.319
  420   1HD2  ASN  58          1HD2      ASN  58  -8.670  -5.977   3.350
  421   2HD2  ASN  58          2HD2      ASN  58 -10.364  -6.078   3.381
  422    H    THR  59           HN       THR  59  -9.642  -2.880  -1.442
  423    HA   THR  59           HA       THR  59  -8.330  -0.187  -1.326
  424    HB   THR  59           HB       THR  59  -9.472  -0.199  -3.722
  425    HG1  THR  59           HG1      THR  59  -9.458  -2.392  -4.491
  426   1HG2  THR  59          3HG2      THR  59  -6.966  -1.560  -2.787
  427   2HG2  THR  59          2HG2      THR  59  -7.400  -1.609  -4.496
  428   3HG2  THR  59          1HG2      THR  59  -7.144  -0.059  -3.695
  429    H    ARG  60           HN       ARG  60  -9.658   1.623  -1.050
  430    HA   ARG  60           HA       ARG  60 -12.238   1.340   0.135
  431   1HB   ARG  60           HB2      ARG  60 -10.507   3.259   0.183
  432   2HB   ARG  60           HB1      ARG  60 -11.230   3.778  -1.340
  433   1HG   ARG  60           HG2      ARG  60 -13.441   3.903  -0.259
  434   2HG   ARG  60           HG1      ARG  60 -12.728   3.376   1.266
  435   1HD   ARG  60           HD2      ARG  60 -11.314   5.665   0.084
  436   2HD   ARG  60           HD1      ARG  60 -13.003   6.017   0.498
  437    HE   ARG  60           HE       ARG  60 -11.227   4.656   2.479
  438   1HH1  ARG  60          1HH1      ARG  60 -10.674   7.404   2.866
  439   2HH1  ARG  60          2HH1      ARG  60 -11.975   8.000   3.842
  440   1HH2  ARG  60          1HH2      ARG  60 -14.068   5.321   3.161
  441   2HH2  ARG  60          2HH2      ARG  60 -13.895   6.821   4.009

  No H/Q in entry =         441
  Start of MODEL   27
    1    H1   MET   1           HT1      MET   1 -12.771  22.175   8.852
    2    H2   MET   1           HT3      MET   1 -13.094  22.999  10.299
    3    H3   MET   1           HT2      MET   1 -11.620  23.248   9.492
    4    HA   MET   1           HA       MET   1 -10.660  21.489  10.461
    5   1HB   MET   1           HB2      MET   1 -13.264  21.891  11.934
    6   2HB   MET   1           HB1      MET   1 -12.095  20.689  12.483
    7   1HG   MET   1           HG2      MET   1 -10.469  22.844  12.084
    8   2HG   MET   1           HG1      MET   1 -11.957  23.638  12.597
    9   1HE   MET   1           HE2      MET   1 -13.372  22.875  14.348
   10   2HE   MET   1           HE1      MET   1 -13.163  21.165  14.715
   11   3HE   MET   1           HE3      MET   1 -12.821  22.386  15.948
   12    H    GLU   2           HN       GLU   2 -11.829  20.625   8.075
   13    HA   GLU   2           HA       GLU   2 -13.326  18.132   8.704
   14   1HB   GLU   2           HB2      GLU   2 -12.541  19.299   6.022
   15   2HB   GLU   2           HB1      GLU   2 -13.855  18.171   6.362
   16   1HG   GLU   2           HG2      GLU   2 -14.605  20.148   8.004
   17   2HG   GLU   2           HG1      GLU   2 -13.714  21.114   6.827
   18    H    ASP   3           HN       ASP   3 -12.249  16.991   6.130
   19    HA   ASP   3           HA       ASP   3 -10.173  15.339   7.210
   20   1HB   ASP   3           HB2      ASP   3  -9.961  14.701   4.758
   21   2HB   ASP   3           HB1      ASP   3 -11.601  14.611   5.403
   22    H    GLU   4           HN       GLU   4  -7.928  15.208   6.193
   23    HA   GLU   4           HA       GLU   4  -6.826  17.973   5.832
   24   1HB   GLU   4           HB2      GLU   4  -5.664  15.385   6.909
   25   2HB   GLU   4           HB1      GLU   4  -4.725  16.862   6.686
   26   1HG   GLU   4           HG2      GLU   4  -7.266  16.794   8.323
   27   2HG   GLU   4           HG1      GLU   4  -5.678  16.491   9.029
   28    H    ASP   5           HN       ASP   5  -5.165  14.946   5.147
   29    HA   ASP   5           HA       ASP   5  -5.140  15.678   2.236
   30   1HB   ASP   5           HB2      ASP   5  -3.045  15.226   4.239
   31   2HB   ASP   5           HB1      ASP   5  -2.811  14.264   2.779
   32    H    VAL   6           HN       VAL   6  -5.900  14.053   0.931
   33    HA   VAL   6           HA       VAL   6  -6.280  11.344   2.124
   34    HB   VAL   6           HB       VAL   6  -7.390  12.614  -0.400
   35   1HG1  VAL   6          1HG1      VAL   6  -8.030  10.087   1.141
   36   2HG1  VAL   6          3HG1      VAL   6  -9.142  10.792  -0.032
   37   3HG1  VAL   6          2HG1      VAL   6  -7.553  10.230  -0.551
   38   1HG2  VAL   6          3HG2      VAL   6  -8.206  12.706   2.470
   39   2HG2  VAL   6          2HG2      VAL   6  -8.417  13.916   1.203
   40   3HG2  VAL   6          1HG2      VAL   6  -9.489  12.517   1.274
   41    HA   PRO   7           HA       PRO   7  -2.783  10.267  -0.497
   42   1HB   PRO   7           HB2      PRO   7  -2.420   7.784   0.580
   43   2HB   PRO   7           HB1      PRO   7  -1.850   9.268   1.370
   44   1HG   PRO   7           HG2      PRO   7  -4.262   7.632   1.943
   45   2HG   PRO   7           HG1      PRO   7  -3.168   8.461   3.060
   46   1HD   PRO   7           HD2      PRO   7  -5.621   9.427   2.330
   47   2HD   PRO   7           HD1      PRO   7  -4.272  10.451   2.865
   48    H    VAL   8           HN       VAL   8  -2.470   8.494  -2.125
   49    HA   VAL   8           HA       VAL   8  -5.040   7.121  -2.837
   50    HB   VAL   8           HB       VAL   8  -3.055   8.131  -4.863
   51   1HG1  VAL   8          2HG1      VAL   8  -4.955   6.572  -5.452
   52   2HG1  VAL   8          1HG1      VAL   8  -6.070   7.850  -4.968
   53   3HG1  VAL   8          3HG1      VAL   8  -4.971   8.105  -6.324
   54   1HG2  VAL   8          1HG2      VAL   8  -4.878   9.715  -3.137
   55   2HG2  VAL   8          3HG2      VAL   8  -3.434  10.224  -4.014
   56   3HG2  VAL   8          2HG2      VAL   8  -4.972  10.070  -4.863
   57    H    CYS   9           HN       CYS   9  -4.835   5.046  -3.774
   58    HA   CYS   9           HA       CYS   9  -2.390   3.597  -3.080
   59   1HB   CYS   9           HB2      CYS   9  -4.466   2.501  -2.702
   60   2HB   CYS   9           HB1      CYS   9  -5.076   2.930  -4.298
   61    H    TRP  10           HN       TRP  10  -0.676   3.519  -4.428
   62    HA   TRP  10           HA       TRP  10  -0.637   4.511  -7.107
   63   1HB   TRP  10           HB2      TRP  10   1.649   3.603  -7.052
   64   2HB   TRP  10           HB1      TRP  10   1.261   4.382  -5.519
   65    HD1  TRP  10           HD1      TRP  10   0.731   2.790  -3.417
   66    HE1  TRP  10           HE1      TRP  10   1.433   0.360  -2.920
   67    HE3  TRP  10           HE3      TRP  10   2.168   1.307  -8.091
   68    HZ2  TRP  10           HZ2      TRP  10   2.470  -1.910  -4.316
   69    HZ3  TRP  10           HZ3      TRP  10   3.010  -0.992  -8.477
   70    HH2  TRP  10           HH2      TRP  10   3.162  -2.601  -6.596
   71    H    ILE  11           HN       ILE  11  -1.566   1.397  -5.878
   72    HA   ILE  11           HA       ILE  11  -0.902  -0.115  -8.278
   73    HB   ILE  11           HB       ILE  11  -2.853  -0.744  -6.041
   74   1HG1  ILE  11          2HG1      ILE  11   0.164  -0.932  -6.232
   75   2HG1  ILE  11          1HG1      ILE  11  -0.799  -0.163  -4.972
   76   1HG2  ILE  11          1HG2      ILE  11  -2.090  -2.133  -8.391
   77   2HG2  ILE  11          3HG2      ILE  11  -1.275  -2.940  -7.051
   78   3HG2  ILE  11          2HG2      ILE  11  -3.028  -2.757  -7.035
   79   1HD1  ILE  11          3HD1      ILE  11  -1.779  -2.595  -4.663
   80   2HD1  ILE  11          2HD1      ILE  11  -0.269  -3.075  -5.438
   81   3HD1  ILE  11          1HD1      ILE  11  -0.235  -2.161  -3.930
   82    H    CYS  12           HN       CYS  12  -4.062   0.883  -6.872
   83    HA   CYS  12           HA       CYS  12  -5.286   0.466  -9.561
   84   1HB   CYS  12           HB2      CYS  12  -7.373   0.416  -8.285
   85   2HB   CYS  12           HB1      CYS  12  -6.192  -0.644  -7.514
   86    H    ASN  13           HN       ASN  13  -3.886   2.991  -7.918
   87    HA   ASN  13           HA       ASN  13  -4.058   5.339  -8.157
   88   1HB   ASN  13           HB2      ASN  13  -4.435   4.132 -10.580
   89   2HB   ASN  13           HB1      ASN  13  -5.929   5.059 -10.436
   90   1HD2  ASN  13          1HD2      ASN  13  -4.509   7.141  -8.728
   91   2HD2  ASN  13          2HD2      ASN  13  -3.599   8.054  -9.833
   92    H    GLU  14           HN       GLU  14  -5.625   4.706  -6.146
   93    HA   GLU  14           HA       GLU  14  -8.089   6.303  -6.578
   94   1HB   GLU  14           HB2      GLU  14  -8.760   4.022  -7.088
   95   2HB   GLU  14           HB1      GLU  14  -7.989   3.427  -5.617
   96   1HG   GLU  14           HG2      GLU  14  -9.548   4.812  -4.264
   97   2HG   GLU  14           HG1      GLU  14 -10.348   5.329  -5.749
   98    H    GLU  15           HN       GLU  15  -8.529   7.522  -4.762
   99    HA   GLU  15           HA       GLU  15  -6.700   7.733  -2.596
  100   1HB   GLU  15           HB2      GLU  15  -9.483   8.623  -3.245
  101   2HB   GLU  15           HB1      GLU  15  -8.909   8.843  -1.592
  102   1HG   GLU  15           HG2      GLU  15  -7.932  10.744  -2.329
  103   2HG   GLU  15           HG1      GLU  15  -6.764   9.698  -3.138
  104    H    LEU  16           HN       LEU  16  -6.567   6.702  -0.645
  105    HA   LEU  16           HA       LEU  16  -8.649   4.628  -0.057
  106   1HB   LEU  16           HB2      LEU  16  -6.666   3.500   1.112
  107   2HB   LEU  16           HB1      LEU  16  -6.583   3.575  -0.646
  108    HG   LEU  16           HG       LEU  16  -5.366   5.798   0.967
  109   1HD1  LEU  16          2HD1      LEU  16  -4.658   3.363   1.709
  110   2HD1  LEU  16          1HD1      LEU  16  -3.734   3.404   0.207
  111   3HD1  LEU  16          3HD1      LEU  16  -3.434   4.608   1.461
  112   1HD2  LEU  16          2HD2      LEU  16  -5.404   4.883  -1.787
  113   2HD2  LEU  16          1HD2      LEU  16  -4.780   6.394  -1.129
  114   3HD2  LEU  16          3HD2      LEU  16  -3.745   4.969  -1.186
  115    H    GLY  17           HN       GLY  17  -7.267   7.536   0.957
  116   1HA   GLY  17           HA1      GLY  17  -8.698   7.404   3.519
  117   2HA   GLY  17           HA2      GLY  17  -7.946   8.838   2.823
  118    H    ASN  18           HN       ASN  18  -6.241   5.800   3.152
  119    HA   ASN  18           HA       ASN  18  -3.837   6.100   4.013
  120   1HB   ASN  18           HB2      ASN  18  -4.299   8.117   5.294
  121   2HB   ASN  18           HB1      ASN  18  -5.492   7.267   6.278
  122   1HD2  ASN  18          1HD2      ASN  18  -2.078   6.579   5.289
  123   2HD2  ASN  18          2HD2      ASN  18  -1.549   6.212   6.860
  124    H    GLU  19           HN       GLU  19  -5.267   3.886   3.516
  125    HA   GLU  19           HA       GLU  19  -6.273   2.371   5.698
  126   1HB   GLU  19           HB2      GLU  19  -6.539   1.788   3.327
  127   2HB   GLU  19           HB1      GLU  19  -4.799   1.549   3.172
  128   1HG   GLU  19           HG2      GLU  19  -5.621  -0.639   3.475
  129   2HG   GLU  19           HG1      GLU  19  -5.082  -0.179   5.090
  130    H    ARG  20           HN       ARG  20  -5.157   1.779   7.523
  131    HA   ARG  20           HA       ARG  20  -2.336   2.057   7.845
  132   1HB   ARG  20           HB2      ARG  20  -4.614   1.440   9.372
  133   2HB   ARG  20           HB1      ARG  20  -3.551   0.044   9.559
  134   1HG   ARG  20           HG2      ARG  20  -1.686   1.852   9.926
  135   2HG   ARG  20           HG1      ARG  20  -3.046   2.913  10.294
  136   1HD   ARG  20           HD2      ARG  20  -3.485   0.436  11.663
  137   2HD   ARG  20           HD1      ARG  20  -1.834   0.982  12.017
  138    HE   ARG  20           HE       ARG  20  -2.801   3.170  12.699
  139   1HH1  ARG  20          1HH1      ARG  20  -5.376   1.596  11.346
  140   2HH1  ARG  20          2HH1      ARG  20  -6.449   1.774  12.694
  141   1HH2  ARG  20          1HH2      ARG  20  -3.986   2.931  14.843
  142   2HH2  ARG  20          2HH2      ARG  20  -5.662   2.531  14.674
  143    H    PHE  21           HN       PHE  21  -1.218   0.945   6.195
  144    HA   PHE  21           HA       PHE  21  -1.051  -1.995   6.556
  145   1HB   PHE  21           HB2      PHE  21  -2.730  -1.786   4.851
  146   2HB   PHE  21           HB1      PHE  21  -1.830  -0.511   4.032
  147    HD1  PHE  21           HD1      PHE  21   0.096  -3.286   5.394
  148    HD2  PHE  21           HD2      PHE  21  -2.021  -1.871   1.934
  149    HE1  PHE  21           HE1      PHE  21   1.239  -4.986   3.998
  150    HE2  PHE  21           HE2      PHE  21  -0.879  -3.569   0.540
  151    HZ   PHE  21           HZ       PHE  21   0.753  -5.128   1.570
  152    H    ARG  22           HN       ARG  22   1.120  -1.754   7.251
  153    HA   ARG  22           HA       ARG  22   3.020  -0.064   5.821
  154   1HB   ARG  22           HB2      ARG  22   3.119  -2.136   8.017
  155   2HB   ARG  22           HB1      ARG  22   4.596  -1.408   7.384
  156   1HG   ARG  22           HG2      ARG  22   2.279   0.298   8.291
  157   2HG   ARG  22           HG1      ARG  22   3.496  -0.276   9.432
  158   1HD   ARG  22           HD2      ARG  22   5.064   1.188   8.661
  159   2HD   ARG  22           HD1      ARG  22   4.628   0.891   6.966
  160    HE   ARG  22           HE       ARG  22   2.441   2.253   8.056
  161   1HH1  ARG  22          1HH1      ARG  22   4.312   3.237   5.837
  162   2HH1  ARG  22          2HH1      ARG  22   4.841   4.746   6.502
  163   1HH2  ARG  22          1HH2      ARG  22   3.775   4.006   9.717
  164   2HH2  ARG  22          2HH2      ARG  22   4.538   5.181   8.699
  165    H    ALA  23           HN       ALA  23   3.098  -0.824   3.647
  166    HA   ALA  23           HA       ALA  23   3.955  -3.664   3.262
  167   1HB   ALA  23           HB2      ALA  23   2.007  -2.009   2.076
  168   2HB   ALA  23           HB1      ALA  23   3.274  -2.195   0.862
  169   3HB   ALA  23           HB3      ALA  23   2.492  -3.620   1.547
  170    H    CYS  24           HN       CYS  24   5.319  -0.658   3.547
  171    HA   CYS  24           HA       CYS  24   7.884  -1.383   2.611
  172   1HB   CYS  24           HB2      CYS  24   7.286  -1.540   0.395
  173   2HB   CYS  24           HB1      CYS  24   5.919  -0.452   0.578
  174    H    GLY  25           HN       GLY  25   9.319   0.594   2.350
  175   1HA   GLY  25           HA1      GLY  25   9.783   2.326   4.156
  176   2HA   GLY  25           HA2      GLY  25   8.168   2.945   3.802
  177    H    CYS  26           HN       CYS  26   8.047   3.030   1.107
  178    HA   CYS  26           HA       CYS  26  10.475   4.113  -0.108
  179   1HB   CYS  26           HB2      CYS  26   7.732   3.344  -0.830
  180   2HB   CYS  26           HB1      CYS  26   8.309   4.756  -1.715
  181    H    THR  27           HN       THR  27   9.561   6.318  -1.511
  182    HA   THR  27           HA       THR  27   8.784   8.265   0.639
  183    HB   THR  27           HB       THR  27  10.637   8.959  -1.620
  184    HG1  THR  27           HG1      THR  27  12.326   8.316  -0.059
  185   1HG2  THR  27          2HG2      THR  27   9.677  10.588   0.121
  186   2HG2  THR  27          1HG2      THR  27  10.733   9.783   1.281
  187   3HG2  THR  27          3HG2      THR  27  11.425  10.610  -0.114
  188    H    GLY  28           HN       GLY  28   7.225   6.903  -1.610
  189   1HA   GLY  28           HA1      GLY  28   6.622   8.206  -3.864
  190   2HA   GLY  28           HA2      GLY  28   6.074   9.407  -2.696
  191    H    GLU  29           HN       GLU  29   4.449   7.947  -4.613
  192    HA   GLU  29           HA       GLU  29   2.088   7.469  -3.291
  193   1HB   GLU  29           HB2      GLU  29   1.471   6.207  -5.251
  194   2HB   GLU  29           HB1      GLU  29   2.624   7.436  -5.768
  195   1HG   GLU  29           HG2      GLU  29   4.449   5.705  -5.496
  196   2HG   GLU  29           HG1      GLU  29   3.180   4.504  -5.250
  197    H    LEU  30           HN       LEU  30   4.681   5.050  -3.766
  198    HA   LEU  30           HA       LEU  30   3.415   2.752  -2.831
  199   1HB   LEU  30           HB2      LEU  30   5.916   3.469  -3.579
  200   2HB   LEU  30           HB1      LEU  30   6.167   3.262  -1.843
  201    HG   LEU  30           HG       LEU  30   6.547   1.135  -3.044
  202   1HD1  LEU  30          1HD1      LEU  30   5.287   1.408  -0.730
  203   2HD1  LEU  30          3HD1      LEU  30   3.921   0.770  -1.645
  204   3HD1  LEU  30          2HD1      LEU  30   5.405  -0.175  -1.500
  205   1HD2  LEU  30          2HD2      LEU  30   4.139   1.990  -4.408
  206   2HD2  LEU  30          1HD2      LEU  30   5.243   0.680  -4.832
  207   3HD2  LEU  30          3HD2      LEU  30   3.906   0.380  -3.720
  208    H    GLU  31           HN       GLU  31   4.219   5.594  -0.979
  209    HA   GLU  31           HA       GLU  31   4.434   4.468   1.633
  210   1HB   GLU  31           HB2      GLU  31   4.107   7.037   0.356
  211   2HB   GLU  31           HB1      GLU  31   3.063   6.948   1.772
  212   1HG   GLU  31           HG2      GLU  31   5.611   5.781   2.414
  213   2HG   GLU  31           HG1      GLU  31   5.867   7.383   1.719
  214    H    ASN  32           HN       ASN  32   1.546   5.702  -0.103
  215    HA   ASN  32           HA       ASN  32  -0.176   4.337   1.924
  216   1HB   ASN  32           HB2      ASN  32  -0.782   6.427  -0.194
  217   2HB   ASN  32           HB1      ASN  32  -1.885   5.885   1.070
  218   1HD2  ASN  32          1HD2      ASN  32  -0.059   8.477   0.379
  219   2HD2  ASN  32          2HD2      ASN  32   0.457   8.932   1.931
  220    H    VAL  33           HN       VAL  33  -1.046   2.397   1.255
  221    HA   VAL  33           HA       VAL  33  -1.825   2.118  -1.600
  222    HB   VAL  33           HB       VAL  33   0.443   1.292  -1.520
  223   1HG1  VAL  33          1HG1      VAL  33   0.495   0.995   0.969
  224   2HG1  VAL  33          3HG1      VAL  33  -0.457  -0.477   0.772
  225   3HG1  VAL  33          2HG1      VAL  33   1.168  -0.380   0.092
  226   1HG2  VAL  33          1HG2      VAL  33  -1.406  -0.054  -2.674
  227   2HG2  VAL  33          3HG2      VAL  33   0.082  -0.929  -2.313
  228   3HG2  VAL  33          2HG2      VAL  33  -1.337  -1.139  -1.286
  229    H    HIS  34           HN       HIS  34  -3.592   0.813  -1.879
  230    HA   HIS  34           HA       HIS  34  -5.293   0.128   0.325
  231   1HB   HIS  34           HB2      HIS  34  -5.086  -0.239  -2.603
  232   2HB   HIS  34           HB1      HIS  34  -6.172  -1.353  -1.774
  233    HD2  HIS  34           HD2      HIS  34  -7.632   0.673   0.339
  234    HE1  HIS  34           HE1      HIS  34  -8.346   3.161  -3.012
  235    HE2  HIS  34           HE2      HIS  34  -9.002   2.650  -0.631
  236    H    ARG  35           HN       ARG  35  -4.938  -1.584   1.728
  237    HA   ARG  35           HA       ARG  35  -3.029  -3.678   1.268
  238   1HB   ARG  35           HB2      ARG  35  -3.796  -2.929   3.477
  239   2HB   ARG  35           HB1      ARG  35  -5.437  -3.454   3.104
  240   1HG   ARG  35           HG2      ARG  35  -4.956  -5.650   3.472
  241   2HG   ARG  35           HG1      ARG  35  -3.352  -5.519   2.746
  242   1HD   ARG  35           HD2      ARG  35  -2.536  -5.578   4.865
  243   2HD   ARG  35           HD1      ARG  35  -3.195  -3.940   5.053
  244    HE   ARG  35           HE       ARG  35  -4.302  -6.292   6.269
  245   1HH1  ARG  35          1HH1      ARG  35  -6.713  -6.467   5.407
  246   2HH1  ARG  35          2HH1      ARG  35  -7.602  -5.017   5.733
  247   1HH2  ARG  35          1HH2      ARG  35  -4.775  -3.100   6.327
  248   2HH2  ARG  35          2HH2      ARG  35  -6.506  -3.112   6.253
  249    H    SER  36           HN       SER  36  -6.240  -3.186   0.166
  250    HA   SER  36           HA       SER  36  -7.030  -5.964  -0.151
  251   1HB   SER  36           HB2      SER  36  -8.970  -5.009  -1.058
  252   2HB   SER  36           HB1      SER  36  -8.379  -3.721  -0.012
  253    HG   SER  36           HG       SER  36  -8.198  -2.548  -1.735
  254    H    CYS  37           HN       CYS  37  -6.268  -3.493  -2.660
  255    HA   CYS  37           HA       CYS  37  -5.890  -5.574  -4.669
  256   1HB   CYS  37           HB2      CYS  37  -5.106  -3.546  -6.037
  257   2HB   CYS  37           HB1      CYS  37  -6.755  -3.503  -5.438
  258    HG   CYS  37           HG       CYS  37  -4.885  -2.140  -3.488
  259    H    LEU  38           HN       LEU  38  -3.770  -3.941  -2.418
  260    HA   LEU  38           HA       LEU  38  -1.327  -4.531  -3.921
  261   1HB   LEU  38           HB2      LEU  38  -1.362  -2.655  -2.408
  262   2HB   LEU  38           HB1      LEU  38  -1.943  -3.663  -1.082
  263    HG   LEU  38           HG       LEU  38   0.137  -4.800  -0.888
  264   1HD1  LEU  38          2HD1      LEU  38   0.456  -3.902  -3.688
  265   2HD1  LEU  38          1HD1      LEU  38   1.934  -3.889  -2.729
  266   3HD1  LEU  38          3HD1      LEU  38   1.014  -5.382  -2.911
  267   1HD2  LEU  38          2HD2      LEU  38  -0.017  -2.142  -0.433
  268   2HD2  LEU  38          1HD2      LEU  38   1.446  -3.076  -0.121
  269   3HD2  LEU  38          3HD2      LEU  38   1.291  -2.155  -1.616
  270    H    SER  39           HN       SER  39  -2.585  -5.757  -0.787
  271    HA   SER  39           HA       SER  39  -0.823  -7.921  -0.450
  272   1HB   SER  39           HB2      SER  39  -2.542  -6.995   1.142
  273   2HB   SER  39           HB1      SER  39  -3.785  -7.815   0.201
  274    HG   SER  39           HG       SER  39  -3.312  -9.367   1.572
  275    H    THR  40           HN       THR  40  -3.787  -7.724  -2.398
  276    HA   THR  40           HA       THR  40  -3.733 -10.569  -3.115
  277    HB   THR  40           HB       THR  40  -5.759  -9.039  -2.882
  278    HG1  THR  40           HG1      THR  40  -5.449 -11.056  -4.297
  279   1HG2  THR  40          3HG2      THR  40  -4.620  -7.157  -4.142
  280   2HG2  THR  40          2HG2      THR  40  -4.902  -8.078  -5.618
  281   3HG2  THR  40          1HG2      THR  40  -6.268  -7.510  -4.658
  282    H    TRP  41           HN       TRP  41  -2.831  -7.478  -4.632
  283    HA   TRP  41           HA       TRP  41  -2.246  -8.459  -7.245
  284   1HB   TRP  41           HB2      TRP  41  -2.406  -6.123  -6.907
  285   2HB   TRP  41           HB1      TRP  41  -1.317  -6.159  -5.522
  286    HD1  TRP  41           HD1      TRP  41  -1.257  -6.648  -9.347
  287    HE1  TRP  41           HE1      TRP  41   1.090  -6.018 -10.209
  288    HE3  TRP  41           HE3      TRP  41   1.107  -5.759  -4.907
  289    HZ2  TRP  41           HZ2      TRP  41   3.632  -5.236  -9.155
  290    HZ3  TRP  41           HZ3      TRP  41   3.489  -5.068  -4.865
  291    HH2  TRP  41           HH2      TRP  41   4.753  -4.811  -6.982
  292    H    LEU  42           HN       LEU  42   0.054  -7.794  -4.557
  293    HA   LEU  42           HA       LEU  42   2.343  -8.932  -5.758
  294   1HB   LEU  42           HB2      LEU  42   3.064  -9.221  -3.349
  295   2HB   LEU  42           HB1      LEU  42   2.467  -7.613  -3.743
  296    HG   LEU  42           HG       LEU  42   0.146  -8.719  -2.976
  297   1HD1  LEU  42          3HD1      LEU  42   2.279 -10.184  -1.392
  298   2HD1  LEU  42          2HD1      LEU  42   0.554 -10.188  -1.026
  299   3HD1  LEU  42          1HD1      LEU  42   1.141 -10.927  -2.514
  300   1HD2  LEU  42          2HD2      LEU  42   2.173  -7.050  -1.818
  301   2HD2  LEU  42          1HD2      LEU  42   0.435  -7.021  -1.521
  302   3HD2  LEU  42          3HD2      LEU  42   1.478  -8.057  -0.548
  303    H    THR  43           HN       THR  43  -0.422 -10.494  -4.253
  304    HA   THR  43           HA       THR  43   0.789 -13.081  -3.837
  305    HB   THR  43           HB       THR  43  -2.028 -12.032  -4.178
  306    HG1  THR  43           HG1      THR  43  -1.669 -11.674  -2.156
  307   1HG2  THR  43          2HG2      THR  43  -1.046 -14.813  -4.219
  308   2HG2  THR  43          1HG2      THR  43  -2.337 -14.506  -3.057
  309   3HG2  THR  43          3HG2      THR  43  -2.587 -14.153  -4.767
  310    H    ILE  44           HN       ILE  44  -0.966 -11.590  -6.548
  311    HA   ILE  44           HA       ILE  44  -0.881 -14.012  -8.190
  312    HB   ILE  44           HB       ILE  44  -1.562 -11.094  -8.654
  313   1HG1  ILE  44          2HG1      ILE  44  -3.420 -13.455  -8.836
  314   2HG1  ILE  44          1HG1      ILE  44  -3.008 -12.782  -7.259
  315   1HG2  ILE  44          3HG2      ILE  44  -0.933 -13.145 -10.580
  316   2HG2  ILE  44          2HG2      ILE  44  -2.640 -12.721 -10.704
  317   3HG2  ILE  44          1HG2      ILE  44  -1.407 -11.471 -10.868
  318   1HD1  ILE  44          1HD1      ILE  44  -3.573 -10.528  -8.770
  319   2HD1  ILE  44          3HD1      ILE  44  -4.760 -11.700  -9.341
  320   3HD1  ILE  44          2HD1      ILE  44  -4.674 -11.297  -7.627
  321    H    SER  45           HN       SER  45   0.935 -10.959  -7.954
  322    HA   SER  45           HA       SER  45   2.683 -11.609 -10.218
  323   1HB   SER  45           HB2      SER  45   2.226  -9.308  -9.792
  324   2HB   SER  45           HB1      SER  45   2.544  -9.485  -8.068
  325    HG   SER  45           HG       SER  45   4.334  -9.388 -10.236
  326    H    ARG  46           HN       ARG  46   2.540 -12.426  -6.894
  327    HA   ARG  46           HA       ARG  46   4.020 -13.655  -5.527
  328   1HB   ARG  46           HB2      ARG  46   4.120 -14.893  -7.757
  329   2HB   ARG  46           HB1      ARG  46   5.598 -13.990  -8.091
  330   1HG   ARG  46           HG2      ARG  46   6.061 -14.919  -5.541
  331   2HG   ARG  46           HG1      ARG  46   5.159 -16.253  -6.261
  332   1HD   ARG  46           HD2      ARG  46   6.830 -16.744  -7.769
  333   2HD   ARG  46           HD1      ARG  46   7.323 -15.046  -7.928
  334    HE   ARG  46           HE       ARG  46   8.504 -15.241  -5.793
  335   1HH1  ARG  46          1HH1      ARG  46   9.006 -17.785  -7.645
  336   2HH1  ARG  46          2HH1      ARG  46   9.136 -18.990  -6.408
  337   1HH2  ARG  46          1HH2      ARG  46   7.852 -16.948  -3.915
  338   2HH2  ARG  46          2HH2      ARG  46   8.481 -18.516  -4.296
  339    H    ASN  47           HN       ASN  47   4.446 -11.162  -4.940
  340    HA   ASN  47           HA       ASN  47   7.365 -10.607  -5.378
  341   1HB   ASN  47           HB2      ASN  47   4.879  -8.967  -5.333
  342   2HB   ASN  47           HB1      ASN  47   6.316  -8.234  -4.617
  343   1HD2  ASN  47          1HD2      ASN  47   6.144  -6.717  -6.563
  344   2HD2  ASN  47          2HD2      ASN  47   6.838  -7.220  -8.028
  345    H    THR  48           HN       THR  48   4.782  -9.789  -3.077
  346    HA   THR  48           HA       THR  48   4.672  -9.957  -0.732
  347    HB   THR  48           HB       THR  48   5.834 -11.710   0.244
  348    HG1  THR  48           HG1      THR  48   7.957 -12.197  -0.260
  349   1HG2  THR  48          2HG2      THR  48   4.856 -12.251  -2.174
  350   2HG2  THR  48          1HG2      THR  48   6.553 -12.585  -2.519
  351   3HG2  THR  48          3HG2      THR  48   5.723 -13.471  -1.240
  352    H    ALA  49           HN       ALA  49   7.190  -8.419  -2.417
  353    HA   ALA  49           HA       ALA  49   7.723  -6.712  -0.069
  354   1HB   ALA  49           HB2      ALA  49   9.379  -8.880  -0.763
  355   2HB   ALA  49           HB1      ALA  49  10.224  -7.446  -1.347
  356   3HB   ALA  49           HB3      ALA  49   9.772  -7.572   0.353
  357    H    CYS  50           HN       CYS  50   8.104  -4.622  -0.684
  358    HA   CYS  50           HA       CYS  50   7.603  -3.710  -3.326
  359   1HB   CYS  50           HB2      CYS  50   7.459  -2.329  -1.303
  360   2HB   CYS  50           HB1      CYS  50   9.196  -2.489  -1.042
  361    HG   CYS  50           HG       CYS  50   9.229  -0.369  -2.374
  362    H    GLN  51           HN       GLN  51   8.937  -3.502  -5.124
  363    HA   GLN  51           HA       GLN  51  11.657  -4.646  -4.959
  364   1HB   GLN  51           HB2      GLN  51  11.474  -4.587  -7.403
  365   2HB   GLN  51           HB1      GLN  51   9.990  -5.246  -6.714
  366   1HG   GLN  51           HG2      GLN  51   8.759  -3.318  -7.172
  367   2HG   GLN  51           HG1      GLN  51  10.193  -2.293  -7.217
  368   1HE2  GLN  51          1HE2      GLN  51   7.974  -3.995  -9.188
  369   2HE2  GLN  51          2HE2      GLN  51   8.851  -3.929 -10.639
  370    H    ILE  52           HN       ILE  52  10.288  -1.544  -4.732
  371    HA   ILE  52           HA       ILE  52  12.348  -0.043  -6.141
  372    HB   ILE  52           HB       ILE  52  10.153   0.577  -4.159
  373   1HG1  ILE  52          2HG1      ILE  52   9.485   0.027  -6.463
  374   2HG1  ILE  52          1HG1      ILE  52   9.203   1.739  -6.141
  375   1HG2  ILE  52          1HG2      ILE  52  12.255   2.400  -5.337
  376   2HG2  ILE  52          3HG2      ILE  52  10.686   3.011  -4.811
  377   3HG2  ILE  52          2HG2      ILE  52  11.768   2.243  -3.649
  378   1HD1  ILE  52          1HD1      ILE  52  11.753   1.847  -7.055
  379   2HD1  ILE  52          3HD1      ILE  52  11.161   0.455  -7.961
  380   3HD1  ILE  52          2HD1      ILE  52  10.344   2.012  -8.103
  381    H    CYS  53           HN       CYS  53  11.662  -0.631  -2.664
  382    HA   CYS  53           HA       CYS  53  14.468   0.249  -2.073
  383   1HB   CYS  53           HB2      CYS  53  13.508   0.692   0.198
  384   2HB   CYS  53           HB1      CYS  53  12.693   1.603  -1.074
  385    HG   CYS  53           HG       CYS  53  10.961   0.311   0.547
  386    H    GLY  54           HN       GLY  54  12.277  -2.437  -1.999
  387   1HA   GLY  54           HA1      GLY  54  14.412  -4.117  -0.841
  388   2HA   GLY  54           HA2      GLY  54  12.947  -4.705  -1.626
  389    H    VAL  55           HN       VAL  55  10.935  -3.498  -0.210
  390    HA   VAL  55           HA       VAL  55  11.432  -4.407   2.611
  391    HB   VAL  55           HB       VAL  55   9.547  -2.272   1.554
  392   1HG1  VAL  55          3HG1      VAL  55  10.247  -3.244   4.335
  393   2HG1  VAL  55          2HG1      VAL  55   9.459  -1.695   4.034
  394   3HG1  VAL  55          1HG1      VAL  55   8.654  -3.197   3.579
  395   1HG2  VAL  55          2HG2      VAL  55  12.130  -1.891   1.515
  396   2HG2  VAL  55          1HG2      VAL  55  11.108  -0.657   2.251
  397   3HG2  VAL  55          3HG2      VAL  55  11.979  -1.804   3.270
  398    H    VAL  56           HN       VAL  56  10.097  -6.058   3.285
  399    HA   VAL  56           HA       VAL  56   8.301  -7.377   1.490
  400    HB   VAL  56           HB       VAL  56   8.682  -7.447   4.490
  401   1HG1  VAL  56          3HG1      VAL  56   6.613  -8.576   2.816
  402   2HG1  VAL  56          2HG1      VAL  56   7.578  -9.864   3.541
  403   3HG1  VAL  56          1HG1      VAL  56   6.788  -8.668   4.570
  404   1HG2  VAL  56          1HG2      VAL  56   9.579  -9.277   2.236
  405   2HG2  VAL  56          3HG2      VAL  56  10.618  -8.162   3.126
  406   3HG2  VAL  56          2HG2      VAL  56   9.892  -9.542   3.951
  407    H    TYR  57           HN       TYR  57   6.033  -7.276   1.323
  408    HA   TYR  57           HA       TYR  57   4.715  -4.823   2.064
  409   1HB   TYR  57           HB2      TYR  57   3.647  -7.520   1.172
  410   2HB   TYR  57           HB1      TYR  57   2.749  -6.001   1.124
  411    HD1  TYR  57           HD1      TYR  57   4.225  -8.134  -1.008
  412    HD2  TYR  57           HD2      TYR  57   4.608  -4.035   0.201
  413    HE1  TYR  57           HE1      TYR  57   5.262  -7.587  -3.194
  414    HE2  TYR  57           HE2      TYR  57   5.641  -3.483  -1.979
  415    HH   TYR  57           HH       TYR  57   5.413  -5.235  -4.620
  416    H    ASN  58           HN       ASN  58   4.855  -8.049   3.479
  417    HA   ASN  58           HA       ASN  58   4.007  -8.887   5.525
  418   1HB   ASN  58           HB2      ASN  58   5.574  -6.826   5.992
  419   2HB   ASN  58           HB1      ASN  58   4.071  -6.029   6.458
  420   1HD2  ASN  58          1HD2      ASN  58   6.589  -7.760   7.772
  421   2HD2  ASN  58          2HD2      ASN  58   5.793  -8.443   9.106
  422    H    THR  59           HN       THR  59   1.866  -8.917   4.058
  423    HA   THR  59           HA       THR  59  -0.190  -6.974   4.809
  424    HB   THR  59           HB       THR  59  -1.558  -8.298   3.330
  425    HG1  THR  59           HG1      THR  59   0.229 -10.269   4.113
  426   1HG2  THR  59          3HG2      THR  59   1.144  -7.537   2.632
  427   2HG2  THR  59          2HG2      THR  59   0.622  -8.917   1.666
  428   3HG2  THR  59          1HG2      THR  59  -0.326  -7.431   1.663
  429    H    ARG  60           HN       ARG  60  -1.152  -7.068   6.797
  430    HA   ARG  60           HA       ARG  60  -1.301  -9.692   8.213
  431   1HB   ARG  60           HB2      ARG  60  -0.332  -7.380   9.066
  432   2HB   ARG  60           HB1      ARG  60  -2.029  -7.029   9.392
  433   1HG   ARG  60           HG2      ARG  60  -1.663  -9.631  10.348
  434   2HG   ARG  60           HG1      ARG  60  -0.204  -8.772  10.841
  435   1HD   ARG  60           HD2      ARG  60  -2.246  -6.943  11.369
  436   2HD   ARG  60           HD1      ARG  60  -2.921  -8.506  11.874
  437    HE   ARG  60           HE       ARG  60  -1.175  -8.704  13.490
  438   1HH1  ARG  60          1HH1      ARG  60  -0.265  -6.471  11.063
  439   2HH1  ARG  60          2HH1      ARG  60   0.827  -5.589  12.079
  440   1HH2  ARG  60          1HH2      ARG  60   0.041  -7.391  14.936
  441   2HH2  ARG  60          2HH2      ARG  60   0.999  -6.110  14.272

  No H/Q in entry =         441
  Start of MODEL   28
    1    H1   MET   1           HT1      MET   1  -9.632 -18.039  -3.663
    2    H2   MET   1           HT3      MET   1  -9.444 -19.504  -4.497
    3    H3   MET   1           HT2      MET   1  -9.288 -18.029  -5.326
    4    HA   MET   1           HA       MET   1 -11.620 -17.538  -5.016
    5   1HB   MET   1           HB2      MET   1 -10.700 -18.936  -6.902
    6   2HB   MET   1           HB1      MET   1 -11.133 -20.374  -5.977
    7   1HG   MET   1           HG2      MET   1 -13.500 -19.550  -5.910
    8   2HG   MET   1           HG1      MET   1 -13.026 -18.229  -6.978
    9   1HE   MET   1           HE1      MET   1 -14.036 -21.622  -6.380
   10   2HE   MET   1           HE3      MET   1 -15.237 -20.927  -7.476
   11   3HE   MET   1           HE2      MET   1 -14.308 -22.342  -7.965
   12    H    GLU   2           HN       GLU   2 -10.360 -19.576  -2.712
   13    HA   GLU   2           HA       GLU   2 -13.087 -20.437  -1.796
   14   1HB   GLU   2           HB2      GLU   2 -10.836 -21.939  -2.442
   15   2HB   GLU   2           HB1      GLU   2 -10.770 -21.842  -0.682
   16   1HG   GLU   2           HG2      GLU   2 -13.482 -22.310  -1.367
   17   2HG   GLU   2           HG1      GLU   2 -12.516 -23.433  -2.326
   18    H    ASP   3           HN       ASP   3 -10.271 -18.593  -1.090
   19    HA   ASP   3           HA       ASP   3 -10.900 -18.487   1.824
   20   1HB   ASP   3           HB2      ASP   3  -8.567 -18.835   0.628
   21   2HB   ASP   3           HB1      ASP   3  -8.620 -17.080   0.463
   22    H    GLU   4           HN       GLU   4 -11.174 -16.666  -1.125
   23    HA   GLU   4           HA       GLU   4 -11.830 -14.426  -1.538
   24   1HB   GLU   4           HB2      GLU   4 -13.481 -15.286   0.859
   25   2HB   GLU   4           HB1      GLU   4 -13.895 -13.950  -0.216
   26   1HG   GLU   4           HG2      GLU   4 -13.886 -15.562  -2.134
   27   2HG   GLU   4           HG1      GLU   4 -13.630 -16.872  -0.982
   28    H    ASP   5           HN       ASP   5 -12.902 -13.253   1.357
   29    HA   ASP   5           HA       ASP   5 -11.959 -11.855   3.025
   30   1HB   ASP   5           HB2      ASP   5 -10.213 -13.958   2.663
   31   2HB   ASP   5           HB1      ASP   5  -9.175 -12.566   2.356
   32    H    VAL   6           HN       VAL   6 -11.241  -9.699   2.988
   33    HA   VAL   6           HA       VAL   6 -10.055  -8.737   0.401
   34    HB   VAL   6           HB       VAL   6 -11.972  -7.326   2.286
   35   1HG1  VAL   6          3HG1      VAL   6 -10.386  -6.490  -0.008
   36   2HG1  VAL   6          2HG1      VAL   6 -12.108  -6.242  -0.290
   37   3HG1  VAL   6          1HG1      VAL   6 -11.330  -5.508   1.112
   38   1HG2  VAL   6          1HG2      VAL   6 -12.395  -9.305   0.180
   39   2HG2  VAL   6          3HG2      VAL   6 -13.543  -8.659   1.353
   40   3HG2  VAL   6          2HG2      VAL   6 -13.240  -7.794  -0.154
   41    HA   PRO   7           HA       PRO   7  -6.847  -7.363   3.147
   42   1HB   PRO   7           HB2      PRO   7  -5.393  -5.974   1.296
   43   2HB   PRO   7           HB1      PRO   7  -5.383  -7.747   1.397
   44   1HG   PRO   7           HG2      PRO   7  -6.865  -5.966  -0.465
   45   2HG   PRO   7           HG1      PRO   7  -6.069  -7.515  -0.780
   46   1HD   PRO   7           HD2      PRO   7  -8.763  -7.248  -0.466
   47   2HD   PRO   7           HD1      PRO   7  -7.875  -8.736  -0.075
   48    H    VAL   8           HN       VAL   8  -6.042  -5.278   3.961
   49    HA   VAL   8           HA       VAL   8  -7.805  -2.954   3.273
   50    HB   VAL   8           HB       VAL   8  -6.745  -3.618   6.022
   51   1HG1  VAL   8          1HG1      VAL   8  -7.706  -1.313   5.313
   52   2HG1  VAL   8          3HG1      VAL   8  -9.266  -2.136   5.289
   53   3HG1  VAL   8          2HG1      VAL   8  -8.335  -2.054   6.785
   54   1HG2  VAL   8          2HG2      VAL   8  -9.036  -4.784   4.514
   55   2HG2  VAL   8          1HG2      VAL   8  -8.050  -5.500   5.787
   56   3HG2  VAL   8          3HG2      VAL   8  -9.326  -4.355   6.200
   57    H    CYS   9           HN       CYS   9  -6.801  -0.894   3.420
   58    HA   CYS   9           HA       CYS   9  -3.965  -0.826   2.862
   59   1HB   CYS   9           HB2      CYS   9  -5.468   0.793   1.898
   60   2HB   CYS   9           HB1      CYS   9  -6.079   1.257   3.485
   61    H    TRP  10           HN       TRP  10  -2.494  -1.196   4.456
   62    HA   TRP  10           HA       TRP  10  -2.896  -1.150   7.239
   63   1HB   TRP  10           HB2      TRP  10  -0.425  -1.135   7.283
   64   2HB   TRP  10           HB1      TRP  10  -1.024  -2.181   5.994
   65    HD1  TRP  10           HD1      TRP  10  -0.815  -1.305   3.477
   66    HE1  TRP  10           HE1      TRP  10   0.715   0.485   2.419
   67    HE3  TRP  10           HE3      TRP  10   0.767   1.120   7.687
   68    HZ2  TRP  10           HZ2      TRP  10   2.382   2.660   3.248
   69    HZ3  TRP  10           HZ3      TRP  10   2.319   3.044   7.526
   70    HH2  TRP  10           HH2      TRP  10   3.129   3.817   5.314
   71    H    ILE  11           HN       ILE  11  -2.620   1.570   5.112
   72    HA   ILE  11           HA       ILE  11  -1.528   3.411   7.116
   73    HB   ILE  11           HB       ILE  11  -2.907   4.008   4.484
   74   1HG1  ILE  11          2HG1      ILE  11  -0.084   3.100   5.101
   75   2HG1  ILE  11          1HG1      ILE  11  -1.225   2.386   3.962
   76   1HG2  ILE  11          2HG2      ILE  11  -2.223   5.812   6.266
   77   2HG2  ILE  11          1HG2      ILE  11  -0.586   5.490   5.693
   78   3HG2  ILE  11          3HG2      ILE  11  -1.815   6.074   4.571
   79   1HD1  ILE  11          2HD1      ILE  11   0.014   5.144   3.715
   80   2HD1  ILE  11          1HD1      ILE  11   0.478   3.724   2.778
   81   3HD1  ILE  11          3HD1      ILE  11  -1.127   4.426   2.578
   82    H    CYS  12           HN       CYS  12  -4.702   3.305   5.405
   83    HA   CYS  12           HA       CYS  12  -5.851   4.890   7.661
   84   1HB   CYS  12           HB2      CYS  12  -7.627   5.368   6.024
   85   2HB   CYS  12           HB1      CYS  12  -6.044   5.702   5.322
   86    H    ASN  13           HN       ASN  13  -5.507   1.705   6.891
   87    HA   ASN  13           HA       ASN  13  -6.632  -0.243   7.611
   88   1HB   ASN  13           HB2      ASN  13  -7.402   1.994   9.373
   89   2HB   ASN  13           HB1      ASN  13  -8.544   0.649   9.381
   90   1HD2  ASN  13          1HD2      ASN  13  -8.034  -0.829  10.993
   91   2HD2  ASN  13          2HD2      ASN  13  -6.462  -1.236  11.487
   92    H    GLU  14           HN       GLU  14  -7.556   0.948   5.180
   93    HA   GLU  14           HA       GLU  14 -10.511   0.443   5.368
   94   1HB   GLU  14           HB2      GLU  14  -9.960   2.770   4.863
   95   2HB   GLU  14           HB1      GLU  14  -8.897   2.259   3.549
   96   1HG   GLU  14           HG2      GLU  14 -10.734   2.541   2.237
   97   2HG   GLU  14           HG1      GLU  14 -11.233   0.979   2.891
   98    H    GLU  15           HN       GLU  15 -11.234  -1.246   4.140
   99    HA   GLU  15           HA       GLU  15  -9.520  -3.044   2.765
  100   1HB   GLU  15           HB2      GLU  15 -12.365  -2.582   3.250
  101   2HB   GLU  15           HB1      GLU  15 -12.070  -3.335   1.683
  102   1HG   GLU  15           HG2      GLU  15 -12.049  -5.257   2.920
  103   2HG   GLU  15           HG1      GLU  15 -10.378  -4.786   3.225
  104    H    LEU  16           HN       LEU  16  -8.826  -3.156   0.653
  105    HA   LEU  16           HA       LEU  16  -9.813  -1.018  -1.201
  106   1HB   LEU  16           HB2      LEU  16  -7.448  -1.386  -2.233
  107   2HB   LEU  16           HB1      LEU  16  -7.567  -0.479  -0.731
  108    HG   LEU  16           HG       LEU  16  -7.082  -3.460  -0.718
  109   1HD1  LEU  16          3HD1      LEU  16  -5.104  -1.192  -1.025
  110   2HD1  LEU  16          2HD1      LEU  16  -4.643  -2.787  -0.430
  111   3HD1  LEU  16          1HD1      LEU  16  -5.288  -2.609  -2.062
  112   1HD2  LEU  16          3HD2      LEU  16  -7.226  -1.298   1.243
  113   2HD2  LEU  16          2HD2      LEU  16  -7.215  -3.043   1.507
  114   3HD2  LEU  16          1HD2      LEU  16  -5.694  -2.170   1.335
  115    H    GLY  17           HN       GLY  17  -8.830  -4.374  -0.812
  116   1HA   GLY  17           HA1      GLY  17 -10.675  -5.244  -2.854
  117   2HA   GLY  17           HA2      GLY  17  -9.579  -6.276  -1.950
  118    H    ASN  18           HN       ASN  18  -8.385  -3.558  -3.933
  119    HA   ASN  18           HA       ASN  18  -6.566  -5.302  -5.323
  120   1HB   ASN  18           HB2      ASN  18  -9.046  -5.823  -6.105
  121   2HB   ASN  18           HB1      ASN  18  -8.788  -4.405  -7.119
  122   1HD2  ASN  18          1HD2      ASN  18  -6.477  -6.988  -6.134
  123   2HD2  ASN  18          2HD2      ASN  18  -6.081  -7.441  -7.721
  124    H    GLU  19           HN       GLU  19  -6.310  -2.668  -4.196
  125    HA   GLU  19           HA       GLU  19  -6.444  -0.662  -6.299
  126   1HB   GLU  19           HB2      GLU  19  -5.781  -0.898  -3.500
  127   2HB   GLU  19           HB1      GLU  19  -4.512   0.008  -4.323
  128   1HG   GLU  19           HG2      GLU  19  -6.246   1.558  -3.578
  129   2HG   GLU  19           HG1      GLU  19  -6.265   1.467  -5.339
  130    H    ARG  20           HN       ARG  20  -5.232  -1.230  -8.137
  131    HA   ARG  20           HA       ARG  20  -2.757  -2.658  -8.106
  132   1HB   ARG  20           HB2      ARG  20  -4.559  -1.441  -9.952
  133   2HB   ARG  20           HB1      ARG  20  -2.943  -0.841 -10.327
  134   1HG   ARG  20           HG2      ARG  20  -2.781  -2.792 -11.506
  135   2HG   ARG  20           HG1      ARG  20  -2.392  -3.470  -9.925
  136   1HD   ARG  20           HD2      ARG  20  -4.278  -4.725  -9.946
  137   2HD   ARG  20           HD1      ARG  20  -5.274  -3.294 -10.275
  138    HE   ARG  20           HE       ARG  20  -4.185  -3.657 -12.709
  139   1HH1  ARG  20          1HH1      ARG  20  -6.102  -5.547 -10.620
  140   2HH1  ARG  20          2HH1      ARG  20  -6.301  -6.855 -11.738
  141   1HH2  ARG  20          1HH2      ARG  20  -4.144  -5.516 -14.100
  142   2HH2  ARG  20          2HH2      ARG  20  -5.193  -6.838 -13.707
  143    H    PHE  21           HN       PHE  21  -1.270  -1.743  -6.626
  144    HA   PHE  21           HA       PHE  21  -0.026   0.809  -7.506
  145   1HB   PHE  21           HB2      PHE  21  -1.756   1.424  -5.908
  146   2HB   PHE  21           HB1      PHE  21  -1.191   0.201  -4.773
  147    HD1  PHE  21           HD1      PHE  21   1.347   1.962  -6.688
  148    HD2  PHE  21           HD2      PHE  21  -0.987   2.038  -3.090
  149    HE1  PHE  21           HE1      PHE  21   2.926   3.602  -5.700
  150    HE2  PHE  21           HE2      PHE  21   0.586   3.669  -2.098
  151    HZ   PHE  21           HZ       PHE  21   2.547   4.456  -3.399
  152    H    ARG  22           HN       ARG  22   1.932  -0.286  -7.983
  153    HA   ARG  22           HA       ARG  22   3.130  -2.236  -6.187
  154   1HB   ARG  22           HB2      ARG  22   3.860  -0.711  -8.668
  155   2HB   ARG  22           HB1      ARG  22   5.135  -1.556  -7.788
  156   1HG   ARG  22           HG2      ARG  22   3.326  -3.526  -7.828
  157   2HG   ARG  22           HG1      ARG  22   2.800  -2.668  -9.277
  158   1HD   ARG  22           HD2      ARG  22   4.639  -3.317 -10.457
  159   2HD   ARG  22           HD1      ARG  22   5.727  -3.003  -9.090
  160    HE   ARG  22           HE       ARG  22   4.156  -5.231  -8.368
  161   1HH1  ARG  22          1HH1      ARG  22   7.135  -5.308  -8.409
  162   2HH1  ARG  22          2HH1      ARG  22   7.460  -6.472  -9.650
  163   1HH2  ARG  22          1HH2      ARG  22   4.268  -6.319 -10.997
  164   2HH2  ARG  22          2HH2      ARG  22   5.836  -7.044 -11.116
  165    H    ALA  23           HN       ALA  23   3.399  -1.220  -4.111
  166    HA   ALA  23           HA       ALA  23   5.410   1.010  -4.090
  167   1HB   ALA  23           HB2      ALA  23   3.459   0.815  -1.873
  168   2HB   ALA  23           HB3      ALA  23   2.768   1.216  -3.445
  169   3HB   ALA  23           HB1      ALA  23   4.025   2.238  -2.748
  170    H    CYS  24           HN       CYS  24   4.563  -2.117  -2.982
  171    HA   CYS  24           HA       CYS  24   7.032  -2.489  -1.581
  172   1HB   CYS  24           HB2      CYS  24   6.358  -1.140   0.164
  173   2HB   CYS  24           HB1      CYS  24   4.649  -1.443  -0.118
  174    H    GLY  25           HN       GLY  25   6.980  -4.614  -0.338
  175   1HA   GLY  25           HA1      GLY  25   6.280  -6.812  -1.717
  176   2HA   GLY  25           HA2      GLY  25   4.717  -6.394  -1.014
  177    H    CYS  26           HN       CYS  26   5.353  -5.589   1.519
  178    HA   CYS  26           HA       CYS  26   7.304  -7.112   2.925
  179   1HB   CYS  26           HB2      CYS  26   4.726  -5.711   3.582
  180   2HB   CYS  26           HB1      CYS  26   5.555  -6.637   4.834
  181    H    THR  27           HN       THR  27   4.284  -7.883   4.333
  182    HA   THR  27           HA       THR  27   4.438 -10.668   3.225
  183    HB   THR  27           HB       THR  27   3.574 -11.059   5.747
  184    HG1  THR  27           HG1      THR  27   3.792  -8.682   5.989
  185   1HG2  THR  27          3HG2      THR  27   6.324 -10.811   4.580
  186   2HG2  THR  27          2HG2      THR  27   6.148 -11.154   6.301
  187   3HG2  THR  27          1HG2      THR  27   5.462 -12.256   5.107
  188    H    GLY  28           HN       GLY  28   2.450  -7.946   3.984
  189   1HA   GLY  28           HA1      GLY  28  -0.047  -9.354   4.327
  190   2HA   GLY  28           HA2      GLY  28   0.168  -8.871   2.645
  191    H    GLU  29           HN       GLU  29   0.501  -7.453   5.924
  192    HA   GLU  29           HA       GLU  29  -1.386  -5.445   5.814
  193   1HB   GLU  29           HB2      GLU  29  -0.156  -5.668   7.801
  194   2HB   GLU  29           HB1      GLU  29   1.392  -5.649   6.957
  195   1HG   GLU  29           HG2      GLU  29   0.981  -3.233   6.387
  196   2HG   GLU  29           HG1      GLU  29  -0.461  -3.289   7.403
  197    H    LEU  30           HN       LEU  30   2.027  -4.873   4.871
  198    HA   LEU  30           HA       LEU  30   1.381  -2.393   3.504
  199   1HB   LEU  30           HB2      LEU  30   3.578  -3.521   4.638
  200   2HB   LEU  30           HB1      LEU  30   3.903  -3.853   2.938
  201    HG   LEU  30           HG       LEU  30   4.876  -1.698   3.521
  202   1HD1  LEU  30          3HD1      LEU  30   3.338  -2.142   1.362
  203   2HD1  LEU  30          2HD1      LEU  30   2.424  -0.818   2.080
  204   3HD1  LEU  30          1HD1      LEU  30   4.121  -0.591   1.657
  205   1HD2  LEU  30          1HD2      LEU  30   3.385  -1.230   5.459
  206   2HD2  LEU  30          3HD2      LEU  30   3.481   0.142   4.354
  207   3HD2  LEU  30          2HD2      LEU  30   2.063  -0.904   4.338
  208    H    GLU  31           HN       GLU  31   1.523  -5.754   2.567
  209    HA   GLU  31           HA       GLU  31   2.083  -5.638  -0.183
  210   1HB   GLU  31           HB2      GLU  31   0.754  -7.364   1.735
  211   2HB   GLU  31           HB1      GLU  31  -0.063  -7.433   0.174
  212   1HG   GLU  31           HG2      GLU  31   1.675  -9.110   0.162
  213   2HG   GLU  31           HG1      GLU  31   2.193  -7.798  -0.897
  214    H    ASN  32           HN       ASN  32  -1.060  -5.054   1.448
  215    HA   ASN  32           HA       ASN  32  -2.128  -4.025  -1.153
  216   1HB   ASN  32           HB2      ASN  32  -3.654  -4.667   1.377
  217   2HB   ASN  32           HB1      ASN  32  -4.260  -4.614  -0.274
  218   1HD2  ASN  32          1HD2      ASN  32  -3.384  -6.769   2.117
  219   2HD2  ASN  32          2HD2      ASN  32  -2.976  -8.103   1.150
  220    H    VAL  33           HN       VAL  33  -2.146  -1.794  -1.283
  221    HA   VAL  33           HA       VAL  33  -2.885  -0.260   1.145
  222    HB   VAL  33           HB       VAL  33  -0.507  -0.401   1.341
  223   1HG1  VAL  33          2HG1      VAL  33  -0.274  -1.097  -1.135
  224   2HG1  VAL  33          1HG1      VAL  33  -0.191   0.631  -1.475
  225   3HG1  VAL  33          3HG1      VAL  33   1.023  -0.124  -0.442
  226   1HG2  VAL  33          3HG2      VAL  33  -1.640   1.874   1.525
  227   2HG2  VAL  33          2HG2      VAL  33   0.099   1.911   1.232
  228   3HG2  VAL  33          1HG2      VAL  33  -1.026   2.207  -0.094
  229    H    HIS  34           HN       HIS  34  -4.002   1.575   0.660
  230    HA   HIS  34           HA       HIS  34  -5.014   2.078  -1.979
  231   1HB   HIS  34           HB2      HIS  34  -4.950   3.412   0.695
  232   2HB   HIS  34           HB1      HIS  34  -5.595   4.309  -0.677
  233    HD2  HIS  34           HD2      HIS  34  -7.379   1.962  -2.117
  234    HE1  HIS  34           HE1      HIS  34  -9.104   1.376   1.702
  235    HE2  HIS  34           HE2      HIS  34  -9.357   0.968  -0.772
  236    H    ARG  35           HN       ARG  35  -3.929   3.111  -3.623
  237    HA   ARG  35           HA       ARG  35  -1.343   4.323  -3.317
  238   1HB   ARG  35           HB2      ARG  35  -2.841   3.335  -5.340
  239   2HB   ARG  35           HB1      ARG  35  -3.118   5.056  -5.588
  240   1HG   ARG  35           HG2      ARG  35  -0.333   4.655  -5.047
  241   2HG   ARG  35           HG1      ARG  35  -0.828   3.538  -6.320
  242   1HD   ARG  35           HD2      ARG  35  -1.266   6.546  -6.313
  243   2HD   ARG  35           HD1      ARG  35  -0.164   5.638  -7.368
  244    HE   ARG  35           HE       ARG  35  -2.502   4.358  -7.861
  245   1HH1  ARG  35          1HH1      ARG  35  -4.658   5.678  -7.787
  246   2HH1  ARG  35          2HH1      ARG  35  -4.600   7.076  -8.808
  247   1HH2  ARG  35          1HH2      ARG  35  -1.145   7.040  -9.108
  248   2HH2  ARG  35          2HH2      ARG  35  -2.610   7.848  -9.556
  249    H    SER  36           HN       SER  36  -4.511   5.507  -2.697
  250    HA   SER  36           HA       SER  36  -3.999   8.322  -3.250
  251   1HB   SER  36           HB2      SER  36  -6.228   7.215  -3.269
  252   2HB   SER  36           HB1      SER  36  -6.085   6.940  -1.535
  253    HG   SER  36           HG       SER  36  -5.888   9.494  -2.753
  254    H    CYS  37           HN       CYS  37  -4.604   6.645  -0.118
  255    HA   CYS  37           HA       CYS  37  -3.505   8.892   1.367
  256   1HB   CYS  37           HB2      CYS  37  -3.755   7.209   3.305
  257   2HB   CYS  37           HB1      CYS  37  -5.215   7.680   2.452
  258    HG   CYS  37           HG       CYS  37  -4.103   5.188   1.191
  259    H    LEU  38           HN       LEU  38  -2.104   5.915   0.097
  260    HA   LEU  38           HA       LEU  38   0.234   6.027   1.856
  261   1HB   LEU  38           HB2      LEU  38  -0.336   3.903   0.966
  262   2HB   LEU  38           HB1      LEU  38  -0.531   4.546  -0.664
  263    HG   LEU  38           HG       LEU  38   1.814   4.820  -0.953
  264   1HD1  LEU  38          3HD1      LEU  38   1.775   4.966   1.966
  265   2HD1  LEU  38          2HD1      LEU  38   3.087   3.953   1.364
  266   3HD1  LEU  38          1HD1      LEU  38   2.948   5.628   0.827
  267   1HD2  LEU  38          3HD2      LEU  38   0.781   2.378  -0.680
  268   2HD2  LEU  38          2HD2      LEU  38   2.509   2.615  -0.945
  269   3HD2  LEU  38          1HD2      LEU  38   1.898   2.317   0.684
  270    H    SER  39           HN       SER  39  -0.219   6.646  -1.653
  271    HA   SER  39           HA       SER  39   2.323   7.733  -2.206
  272   1HB   SER  39           HB2      SER  39   1.267   8.517  -4.191
  273   2HB   SER  39           HB1      SER  39   0.318   7.112  -3.715
  274    HG   SER  39           HG       SER  39  -1.309   8.429  -3.632
  275    H    THR  40           HN       THR  40  -0.596   9.326  -0.929
  276    HA   THR  40           HA       THR  40   0.620  11.982  -0.899
  277    HB   THR  40           HB       THR  40  -1.831  11.439  -1.130
  278    HG1  THR  40           HG1      THR  40  -1.144  12.982   1.147
  279   1HG2  THR  40          3HG2      THR  40  -1.654   9.614   0.673
  280   2HG2  THR  40          2HG2      THR  40  -1.758  10.929   1.843
  281   3HG2  THR  40          1HG2      THR  40  -3.085  10.644   0.717
  282    H    TRP  41           HN       TRP  41   0.221   9.316   1.394
  283    HA   TRP  41           HA       TRP  41   0.966  10.793   3.760
  284   1HB   TRP  41           HB2      TRP  41  -0.150   8.757   4.118
  285   2HB   TRP  41           HB1      TRP  41   0.798   7.910   2.897
  286    HD1  TRP  41           HD1      TRP  41   1.071   9.289   6.471
  287    HE1  TRP  41           HE1      TRP  41   2.988   8.062   7.680
  288    HE3  TRP  41           HE3      TRP  41   2.944   6.548   2.594
  289    HZ2  TRP  41           HZ2      TRP  41   5.047   6.166   7.080
  290    HZ3  TRP  41           HZ3      TRP  41   4.881   5.040   2.939
  291    HH2  TRP  41           HH2      TRP  41   5.934   4.847   5.175
  292    H    LEU  42           HN       LEU  42   2.850   8.486   1.740
  293    HA   LEU  42           HA       LEU  42   5.367   8.940   2.969
  294   1HB   LEU  42           HB2      LEU  42   6.234   8.101   0.751
  295   2HB   LEU  42           HB1      LEU  42   4.956   7.101   1.439
  296    HG   LEU  42           HG       LEU  42   3.410   8.740   0.005
  297   1HD1  LEU  42          1HD1      LEU  42   6.125   8.798  -1.329
  298   2HD1  LEU  42          3HD1      LEU  42   4.627   9.110  -2.206
  299   3HD1  LEU  42          2HD1      LEU  42   5.112  10.171  -0.884
  300   1HD2  LEU  42          2HD2      LEU  42   4.705   6.161  -0.426
  301   2HD2  LEU  42          1HD2      LEU  42   3.039   6.640  -0.756
  302   3HD2  LEU  42          3HD2      LEU  42   4.300   6.954  -1.949
  303    H    THR  43           HN       THR  43   3.519  10.926   0.773
  304    HA   THR  43           HA       THR  43   5.668  12.548  -0.258
  305    HB   THR  43           HB       THR  43   2.705  13.017   0.214
  306    HG1  THR  43           HG1      THR  43   4.163  12.490  -2.156
  307   1HG2  THR  43          2HG2      THR  43   4.696  14.936  -0.360
  308   2HG2  THR  43          1HG2      THR  43   3.860  14.626  -1.882
  309   3HG2  THR  43          3HG2      THR  43   2.948  15.145  -0.464
  310    H    ILE  44           HN       ILE  44   3.446  12.947   2.518
  311    HA   ILE  44           HA       ILE  44   4.692  15.402   3.450
  312    HB   ILE  44           HB       ILE  44   2.922  13.342   4.818
  313   1HG1  ILE  44          2HG1      ILE  44   1.970  15.975   3.739
  314   2HG1  ILE  44          1HG1      ILE  44   2.208  14.635   2.616
  315   1HG2  ILE  44          2HG2      ILE  44   4.078  15.932   5.654
  316   2HG2  ILE  44          1HG2      ILE  44   2.344  15.770   5.936
  317   3HG2  ILE  44          3HG2      ILE  44   3.464  14.603   6.638
  318   1HD1  ILE  44          1HD1      ILE  44   0.736  14.030   5.133
  319   2HD1  ILE  44          3HD1      ILE  44  -0.109  15.006   3.930
  320   3HD1  ILE  44          2HD1      ILE  44   0.486  13.401   3.504
  321    H    SER  45           HN       SER  45   4.970  11.952   4.269
  322    HA   SER  45           HA       SER  45   6.926  12.435   6.404
  323   1HB   SER  45           HB2      SER  45   5.127  10.532   6.012
  324   2HB   SER  45           HB1      SER  45   6.414   9.792   5.064
  325    HG   SER  45           HG       SER  45   7.394   9.312   6.856
  326    H    ARG  46           HN       ARG  46   6.990  12.191   3.000
  327    HA   ARG  46           HA       ARG  46   8.745  11.922   1.443
  328   1HB   ARG  46           HB2      ARG  46   9.413  13.683   3.585
  329   2HB   ARG  46           HB1      ARG  46  10.874  12.789   3.161
  330   1HG   ARG  46           HG2      ARG  46  11.087  13.889   1.202
  331   2HG   ARG  46           HG1      ARG  46   9.392  13.623   0.793
  332   1HD   ARG  46           HD2      ARG  46   8.772  15.507   2.336
  333   2HD   ARG  46           HD1      ARG  46  10.503  15.831   2.558
  334    HE   ARG  46           HE       ARG  46   9.203  15.861  -0.142
  335   1HH1  ARG  46          1HH1      ARG  46   9.938  18.176   1.975
  336   2HH1  ARG  46          2HH1      ARG  46  11.225  18.919   1.085
  337   1HH2  ARG  46          1HH2      ARG  46  11.500  16.324  -1.196
  338   2HH2  ARG  46          2HH2      ARG  46  12.109  17.870  -0.709
  339    H    ASN  47           HN       ASN  47   8.513   9.500   1.748
  340    HA   ASN  47           HA       ASN  47  10.884   8.326   3.162
  341   1HB   ASN  47           HB2      ASN  47   8.030   7.646   2.885
  342   2HB   ASN  47           HB1      ASN  47   9.112   6.276   2.635
  343   1HD2  ASN  47          1HD2      ASN  47   7.322   7.414   5.030
  344   2HD2  ASN  47          2HD2      ASN  47   8.349   7.197   6.363
  345    H    THR  48           HN       THR  48   8.902   8.214   0.233
  346    HA   THR  48           HA       THR  48   9.509   7.765  -1.996
  347    HB   THR  48           HB       THR  48  11.753   7.886  -2.576
  348    HG1  THR  48           HG1      THR  48  12.975   6.412  -1.786
  349   1HG2  THR  48          1HG2      THR  48  10.931   9.597  -0.616
  350   2HG2  THR  48          3HG2      THR  48  12.393   8.930   0.109
  351   3HG2  THR  48          2HG2      THR  48  12.474   9.728  -1.461
  352    H    ALA  49           HN       ALA  49  10.509   5.480   0.535
  353    HA   ALA  49           HA       ALA  49   9.453   3.286  -1.146
  354   1HB   ALA  49           HB3      ALA  49  11.735   3.387  -1.855
  355   2HB   ALA  49           HB1      ALA  49  11.656   2.053  -0.703
  356   3HB   ALA  49           HB2      ALA  49  12.306   3.615  -0.203
  357    H    CYS  50           HN       CYS  50   9.001   1.370   0.108
  358    HA   CYS  50           HA       CYS  50   8.190   1.824   2.829
  359   1HB   CYS  50           HB2      CYS  50   7.239   0.157   1.205
  360   2HB   CYS  50           HB1      CYS  50   8.723  -0.783   1.361
  361    HG   CYS  50           HG       CYS  50   6.485  -0.613   3.459
  362    H    GLN  51           HN       GLN  51   9.590   2.010   4.542
  363    HA   GLN  51           HA       GLN  51  12.352   1.096   4.401
  364   1HB   GLN  51           HB2      GLN  51  12.401   2.006   6.701
  365   2HB   GLN  51           HB1      GLN  51  11.587   3.121   5.603
  366   1HG   GLN  51           HG2      GLN  51   9.781   3.060   6.939
  367   2HG   GLN  51           HG1      GLN  51   9.597   1.347   6.560
  368   1HE2  GLN  51          1HE2      GLN  51  12.081   0.467   7.836
  369   2HE2  GLN  51          2HE2      GLN  51  11.869   0.639   9.511
  370    H    ILE  52           HN       ILE  52   9.494  -0.560   4.930
  371    HA   ILE  52           HA       ILE  52  10.435  -2.344   7.069
  372    HB   ILE  52           HB       ILE  52   8.064  -2.477   5.175
  373   1HG1  ILE  52          2HG1      ILE  52   7.963  -1.563   8.040
  374   2HG1  ILE  52          1HG1      ILE  52   8.431  -0.423   6.778
  375   1HG2  ILE  52          3HG2      ILE  52   8.604  -3.828   7.837
  376   2HG2  ILE  52          2HG2      ILE  52   7.092  -3.925   6.933
  377   3HG2  ILE  52          1HG2      ILE  52   8.567  -4.623   6.264
  378   1HD1  ILE  52          2HD1      ILE  52   6.286  -1.360   5.559
  379   2HD1  ILE  52          1HD1      ILE  52   5.807  -1.815   7.194
  380   3HD1  ILE  52          3HD1      ILE  52   6.123  -0.124   6.807
  381    H    CYS  53           HN       CYS  53   9.911  -2.545   3.537
  382    HA   CYS  53           HA       CYS  53  11.429  -5.134   3.550
  383   1HB   CYS  53           HB2      CYS  53  10.149  -5.605   1.495
  384   2HB   CYS  53           HB1      CYS  53   9.055  -5.202   2.820
  385    HG   CYS  53           HG       CYS  53   8.445  -3.800   0.628
  386    H    GLY  54           HN       GLY  54  11.405  -1.853   2.456
  387   1HA   GLY  54           HA1      GLY  54  13.976  -2.307   1.069
  388   2HA   GLY  54           HA2      GLY  54  13.303  -0.738   1.510
  389    H    VAL  55           HN       VAL  55  10.643  -1.563   0.313
  390    HA   VAL  55           HA       VAL  55  11.354  -1.644  -2.588
  391    HB   VAL  55           HB       VAL  55   8.766  -2.010  -1.045
  392   1HG1  VAL  55          3HG1      VAL  55   9.394  -2.172  -4.003
  393   2HG1  VAL  55          2HG1      VAL  55   7.943  -2.872  -3.285
  394   3HG1  VAL  55          1HG1      VAL  55   8.211  -1.131  -3.212
  395   1HG2  VAL  55          1HG2      VAL  55  10.812  -3.749  -1.150
  396   2HG2  VAL  55          3HG2      VAL  55   9.131  -4.283  -1.184
  397   3HG2  VAL  55          2HG2      VAL  55  10.045  -4.150  -2.687
  398    H    VAL  56           HN       VAL  56  10.749   0.067  -3.967
  399    HA   VAL  56           HA       VAL  56  10.246   2.658  -2.700
  400    HB   VAL  56           HB       VAL  56  10.547   1.675  -5.549
  401   1HG1  VAL  56          2HG1      VAL  56   9.533   4.199  -4.507
  402   2HG1  VAL  56          1HG1      VAL  56  10.990   4.433  -5.474
  403   3HG1  VAL  56          3HG1      VAL  56   9.589   3.621  -6.174
  404   1HG2  VAL  56          2HG2      VAL  56  12.513   1.714  -3.878
  405   2HG2  VAL  56          1HG2      VAL  56  12.752   2.562  -5.406
  406   3HG2  VAL  56          3HG2      VAL  56  12.376   3.471  -3.943
  407    H    TYR  57           HN       TYR  57   8.338   3.916  -2.944
  408    HA   TYR  57           HA       TYR  57   5.849   2.470  -3.110
  409   1HB   TYR  57           HB2      TYR  57   6.479   5.431  -3.196
  410   2HB   TYR  57           HB1      TYR  57   4.903   4.731  -2.829
  411    HD1  TYR  57           HD1      TYR  57   5.424   2.499  -1.123
  412    HD2  TYR  57           HD2      TYR  57   7.415   6.303  -1.238
  413    HE1  TYR  57           HE1      TYR  57   6.098   2.214   1.240
  414    HE2  TYR  57           HE2      TYR  57   8.085   6.021   1.128
  415    HH   TYR  57           HH       TYR  57   7.801   4.797   2.989
  416    H    ASN  58           HN       ASN  58   7.597   4.575  -5.370
  417    HA   ASN  58           HA       ASN  58   7.107   5.129  -7.630
  418   1HB   ASN  58           HB2      ASN  58   7.089   2.281  -7.085
  419   2HB   ASN  58           HB1      ASN  58   6.033   2.650  -8.449
  420   1HD2  ASN  58          1HD2      ASN  58   7.038   3.924 -10.272
  421   2HD2  ASN  58          2HD2      ASN  58   8.709   3.793 -10.542
  422    H    THR  59           HN       THR  59   5.244   6.530  -6.824
  423    HA   THR  59           HA       THR  59   2.542   5.349  -7.132
  424    HB   THR  59           HB       THR  59   1.830   7.392  -6.100
  425    HG1  THR  59           HG1      THR  59   2.892   9.206  -6.332
  426   1HG2  THR  59          1HG2      THR  59   4.561   6.651  -5.015
  427   2HG2  THR  59          3HG2      THR  59   3.329   7.558  -4.139
  428   3HG2  THR  59          2HG2      THR  59   3.035   5.878  -4.588
  429    H    ARG  60           HN       ARG  60   1.183   5.827  -8.861
  430    HA   ARG  60           HA       ARG  60   0.714   6.393 -11.120
  431   1HB   ARG  60           HB2      ARG  60   0.762   8.537  -9.378
  432   2HB   ARG  60           HB1      ARG  60   1.783   9.103 -10.700
  433   1HG   ARG  60           HG2      ARG  60  -1.018   7.977 -10.994
  434   2HG   ARG  60           HG1      ARG  60  -0.578   9.682 -11.115
  435   1HD   ARG  60           HD2      ARG  60   0.980   7.845 -12.854
  436   2HD   ARG  60           HD1      ARG  60  -0.729   8.055 -13.285
  437    HE   ARG  60           HE       ARG  60  -0.135  10.609 -12.949
  438   1HH1  ARG  60          1HH1      ARG  60   1.480  12.005 -13.790
  439   2HH1  ARG  60          2HH1      ARG  60   2.583  11.375 -14.968
  440   1HH2  ARG  60          1HH2      ARG  60   1.463   8.107 -14.656
  441   2HH2  ARG  60          2HH2      ARG  60   2.574   9.167 -15.458

  No H/Q in entry =         441