1 LEU ( 16 ) A N -> 4 ASP ( 19 ) A OD2 Sym= 1 Val= 0.775 DA= 2.90 DHA= 23.14 2 LEU ( 17 ) A N -> 66 LYS ( 81 ) A O Sym= 1 Val= 0.560 DA= 2.94 DHA= 29.77 4 ASP ( 19 ) A N -> 1 LEU ( 16 ) A O Sym= 1 Val= 0.614 DA= 2.88 DHA= 23.74 5 LEU ( 20 ) A N -> 2 LEU ( 17 ) A O Sym= 1 Val= 0.436 DA= 3.41 DHA= 20.12 9 LEU ( 24 ) A N -> 6 PRO ( 21 ) A O Sym= 1 Val= 0.051 DA= 3.25 DHA= 68.47 10 LEU ( 25 ) A N -> 6 PRO ( 21 ) A O Sym= 1 Val= 0.731 DA= 2.85 DHA= 15.20 11 GLY ( 26 ) A N -> 7 PRO ( 22 ) A O Sym= 1 Val= 0.574 DA= 2.89 DHA= 34.38 12 GLU ( 27 ) A N -> 8 ALA ( 23 ) A O Sym= 1 Val= 0.556 DA= 3.00 DHA= 33.48 13 LEU ( 28 ) A N -> 9 LEU ( 24 ) A O Sym= 1 Val= 0.694 DA= 2.87 DHA= 18.30 14 CYS ( 29 ) A N -> 10 LEU ( 25 ) A O Sym= 1 Val= 0.664 DA= 2.90 DHA= 21.97 15 ALA ( 30 ) A N -> 11 GLY ( 26 ) A O Sym= 1 Val= 0.638 DA= 3.02 DHA= 24.27 16 VAL ( 31 ) A N -> 12 GLU ( 27 ) A O Sym= 1 Val= 0.687 DA= 3.10 DHA= 12.53 17 LEU ( 32 ) A N -> 13 LEU ( 28 ) A O Sym= 1 Val= 0.530 DA= 3.18 DHA= 26.31 18 ASP ( 33 ) A N -> 14 CYS ( 29 ) A O Sym= 1 Val= 0.601 DA= 2.79 DHA= 23.05 19 SER ( 34 ) A N -> 15 ALA ( 30 ) A O Sym= 1 Val= 0.491 DA= 3.13 DHA= 34.22 19 SER ( 34 ) A OG -> 15 ALA ( 30 ) A O Sym= 1 Val= 0.672 DA= 2.71 DHA= 33.49 20 CYS ( 35 ) A N -> 17 LEU ( 32 ) A O Sym= 1 Val= 0.190 DA= 3.26 DHA= 23.99 21 ASP ( 36 ) A N -> 21 ASP ( 36 ) A OD1 Sym= 1 Val= 0.308 DA= 2.88 DHA= 68.18 22 GLY ( 37 ) A N -> 20 CYS ( 35 ) A SG Sym= 1 Val= 0.172 DA= 3.76 DHA= 28.35 23 ALA ( 38 ) A N -> 23 ALA ( 38 ) A O Sym= 1 Val= 0.343 DA= 2.46 DHA= 73.16 27 ARG ( 42 ) A NE -> 31 GLU ( 46 ) A OE2 Sym= 1 Val= 0.110 DA= 3.58 DHA= 47.52 28 GLY ( 43 ) A N -> 25 GLY ( 40 ) A O Sym= 1 Val= 0.137 DA= 3.12 DHA= 58.91 29 LEU ( 44 ) A N -> 25 GLY ( 40 ) A O Sym= 1 Val= 0.771 DA= 3.04 DHA= 9.16 30 ALA ( 45 ) A N -> 26 TRP ( 41 ) A O Sym= 1 Val= 0.611 DA= 2.89 DHA= 28.85 31 GLU ( 46 ) A N -> 27 ARG ( 42 ) A O Sym= 1 Val= 0.658 DA= 2.92 DHA= 15.18 32 ARG ( 47 ) A N -> 28 GLY ( 43 ) A O Sym= 1 Val= 0.566 DA= 3.07 DHA= 26.22 32 ARG ( 47 ) A NE -> 77 GLU ( 92 ) A OE1 Sym= 1 Val= 0.666 DA= 2.99 DHA= 23.16 32 ARG ( 47 ) A NH1 -> 77 GLU ( 92 ) A OE1 Sym= 1 Val= 0.200 DA= 2.92 DHA= 31.85 33 LEU ( 48 ) A N -> 29 LEU ( 44 ) A O Sym= 1 Val= 0.635 DA= 2.92 DHA= 23.19 34 SER ( 49 ) A N -> 31 GLU ( 46 ) A O Sym= 1 Val= 0.298 DA= 3.03 DHA= 29.61 34 SER ( 49 ) A N -> 30 ALA ( 45 ) A O Sym= 1 Val= 0.085 DA= 3.16 DHA= 83.67 34 SER ( 49 ) A OG -> 32 ARG ( 47 ) A O Sym= 1 Val= 0.416 DA= 3.63 DHA= 4.83 35 SER ( 50 ) A N -> 30 ALA ( 45 ) A O Sym= 1 Val= 0.716 DA= 3.01 DHA= 10.03 35 SER ( 50 ) A OG -> 30 ALA ( 45 ) A O Sym= 1 Val= 0.677 DA= 2.90 DHA= 34.48 36 SER ( 51 ) A N -> 39 ASP ( 54 ) A OD2 Sym= 1 Val= 0.670 DA= 2.96 DHA= 33.31 36 SER ( 51 ) A OG -> 39 ASP ( 54 ) A OD2 Sym= 1 Val= 0.462 DA= 2.70 DHA= 12.50 39 ASP ( 54 ) A N -> 36 SER ( 51 ) A OG Sym= 1 Val= 0.540 DA= 3.05 DHA= 29.79 39 ASP ( 54 ) A N -> 36 SER ( 51 ) A O Sym= 1 Val= 0.048 DA= 2.95 DHA= 61.72 40 VAL ( 55 ) A N -> 36 SER ( 51 ) A O Sym= 1 Val= 0.692 DA= 3.01 DHA= 16.21 41 ARG ( 56 ) A N -> 37 TRP ( 52 ) A O Sym= 1 Val= 0.694 DA= 2.87 DHA= 16.93 41 ARG ( 56 ) A NH2 -> 44 GLU ( 59 ) A OE1 Sym= 1 Val= 0.798 DA= 2.87 DHA= 13.16 42 HIS ( 57 ) A N -> 38 LEU ( 53 ) A O Sym= 1 Val= 0.655 DA= 2.83 DHA= 23.98 43 ILE ( 58 ) A N -> 39 ASP ( 54 ) A O Sym= 1 Val= 0.669 DA= 2.92 DHA= 15.06 44 GLU ( 59 ) A N -> 40 VAL ( 55 ) A O Sym= 1 Val= 0.671 DA= 2.85 DHA= 22.82 45 LYS ( 60 ) A N -> 41 ARG ( 56 ) A O Sym= 1 Val= 0.633 DA= 2.90 DHA= 20.64 46 TYR ( 61 ) A N -> 42 HIS ( 57 ) A O Sym= 1 Val= 0.623 DA= 2.96 DHA= 26.89 47 VAL ( 62 ) A N -> 43 ILE ( 58 ) A O Sym= 1 Val= 0.635 DA= 2.87 DHA= 22.98 48 ASP ( 63 ) A N -> 44 GLU ( 59 ) A O Sym= 1 Val= 0.623 DA= 2.84 DHA= 28.61 49 GLN ( 64 ) A N -> 45 LYS ( 60 ) A O Sym= 1 Val= 0.453 DA= 2.96 DHA= 49.43 50 GLY ( 65 ) A N -> 47 VAL ( 62 ) A O Sym= 1 Val= 0.419 DA= 3.02 DHA= 27.13 50 GLY ( 65 ) A N -> 46 TYR ( 61 ) A O Sym= 1 Val= 0.212 DA= 3.16 DHA= 78.09 51 LYS ( 66 ) A N -> 46 TYR ( 61 ) A O Sym= 1 Val= 0.694 DA= 2.94 DHA= 17.33 51 LYS ( 66 ) A NZ -> 49 GLN ( 64 ) A OE1 Sym= 1 Val= 0.465 DA= 2.97 DHA= 46.82 51 LYS ( 66 ) A NZ -> 49 GLN ( 64 ) A OE1 Sym= 1 Val= 0.279 DA= 2.97 DHA= 84.18 52 SER ( 67 ) A OG -> 18 ASP ( 33 ) A OD2 Sym= 1 Val= 0.713 DA= 2.58 DHA= 26.66 53 GLY ( 68 ) A N -> 18 ASP ( 33 ) A OD1 Sym= 1 Val= 0.208 DA= 3.05 DHA= 53.41 54 THR ( 69 ) A N -> 18 ASP ( 33 ) A OD1 Sym= 1 Val= 0.760 DA= 2.85 DHA= 20.86 54 THR ( 69 ) A OG1 -> 18 ASP ( 33 ) A OD1 Sym= 1 Val= 0.430 DA= 2.77 DHA= 33.82 55 ARG ( 70 ) A N -> 52 SER ( 67 ) A OG Sym= 1 Val= 0.757 DA= 2.96 DHA= 22.73 55 ARG ( 70 ) A NH2 -> 56 GLU ( 71 ) A OE2 Sym= 1 Val= 0.690 DA= 2.84 DHA= 20.31 56 GLU ( 71 ) A N -> 52 SER ( 67 ) A O Sym= 1 Val= 0.061 DA= 3.86 DHA= 20.49 56 GLU ( 71 ) A N -> 53 GLY ( 68 ) A O Sym= 1 Val= 0.052 DA= 3.23 DHA= 61.16 57 LEU ( 72 ) A N -> 53 GLY ( 68 ) A O Sym= 1 Val= 0.693 DA= 3.00 DHA= 18.24 58 LEU ( 73 ) A N -> 54 THR ( 69 ) A O Sym= 1 Val= 0.648 DA= 2.80 DHA= 16.64 59 TRP ( 74 ) A N -> 55 ARG ( 70 ) A O Sym= 1 Val= 0.723 DA= 2.91 DHA= 18.10 60 SER ( 75 ) A N -> 56 GLU ( 71 ) A O Sym= 1 Val= 0.616 DA= 2.98 DHA= 27.32 60 SER ( 75 ) A OG -> 57 LEU ( 72 ) A O Sym= 1 Val= 0.893 DA= 2.71 DHA= 4.87 61 TRP ( 76 ) A N -> 57 LEU ( 72 ) A O Sym= 1 Val= 0.543 DA= 2.92 DHA= 35.29 62 ALA ( 77 ) A N -> 58 LEU ( 73 ) A O Sym= 1 Val= 0.546 DA= 2.78 DHA= 36.70 63 GLN ( 78 ) A N -> 59 TRP ( 74 ) A O Sym= 1 Val= 0.454 DA= 3.07 DHA= 36.13 64 LYS ( 79 ) A N -> 61 TRP ( 76 ) A O Sym= 1 Val= 0.175 DA= 3.05 DHA= 43.88 64 LYS ( 79 ) A NZ -> 60 SER ( 75 ) A O Sym= 1 Val= 0.405 DA= 3.90 DHA= 2.01 65 ASN ( 80 ) A N -> 62 ALA ( 77 ) A O Sym= 1 Val= 0.421 DA= 2.86 DHA= 41.62 66 LYS ( 81 ) A N -> 61 TRP ( 76 ) A O Sym= 1 Val= 0.301 DA= 3.80 DHA= 25.85 67 THR ( 82 ) A N -> 70 ASP ( 85 ) A OD2 Sym= 1 Val= 0.755 DA= 2.89 DHA= 6.87 67 THR ( 82 ) A N -> 67 THR ( 82 ) A OG1 Sym= 1 Val= 0.219 DA= 2.91 DHA= 82.41 70 ASP ( 85 ) A N -> 67 THR ( 82 ) A OG1 Sym= 1 Val= 0.684 DA= 2.95 DHA= 34.45 71 LEU ( 86 ) A N -> 67 THR ( 82 ) A O Sym= 1 Val= 0.509 DA= 3.46 DHA= 21.80 71 LEU ( 86 ) A N -> 68 ILE ( 83 ) A O Sym= 1 Val= 0.090 DA= 3.13 DHA= 62.96 72 LEU ( 87 ) A N -> 68 ILE ( 83 ) A O Sym= 1 Val= 0.616 DA= 2.89 DHA= 25.28 73 GLN ( 88 ) A N -> 69 GLY ( 84 ) A O Sym= 1 Val= 0.686 DA= 2.92 DHA= 18.19 73 GLN ( 88 ) A NE2 -> 77 GLU ( 92 ) A OE2 Sym= 1 Val= 0.769 DA= 2.97 DHA= 7.18 74 VAL ( 89 ) A N -> 70 ASP ( 85 ) A O Sym= 1 Val= 0.608 DA= 3.16 DHA= 23.92 75 LEU ( 90 ) A N -> 71 LEU ( 86 ) A O Sym= 1 Val= 0.672 DA= 2.84 DHA= 19.25 76 GLN ( 91 ) A N -> 72 LEU ( 87 ) A O Sym= 1 Val= 0.623 DA= 2.89 DHA= 26.80 77 GLU ( 92 ) A N -> 73 GLN ( 88 ) A O Sym= 1 Val= 0.623 DA= 2.91 DHA= 26.50 78 MET ( 93 ) A N -> 74 VAL ( 89 ) A O Sym= 1 Val= 0.617 DA= 2.96 DHA= 28.51 79 GLY ( 94 ) A N -> 75 LEU ( 90 ) A O Sym= 1 Val= 0.336 DA= 2.89 DHA= 73.95 79 GLY ( 94 ) A N -> 76 GLN ( 91 ) A O Sym= 1 Val= 0.139 DA= 3.17 DHA= 34.21 80 HIS ( 95 ) A N -> 75 LEU ( 90 ) A O Sym= 1 Val= 0.659 DA= 2.88 DHA= 24.51 80 HIS ( 95 ) A ND1 -> 78 MET ( 93 ) A O Sym= 1 Val= 0.417 DA= 2.99 DHA= 39.45 81 ARG ( 96 ) A N -> 79 GLY ( 94 ) A O Sym= 1 Val= 0.253 DA= 3.04 DHA= 42.70 83 ALA ( 98 ) A N -> 80 HIS ( 95 ) A O Sym= 1 Val= 0.343 DA= 3.04 DHA= 54.69 84 ILE ( 99 ) A N -> 80 HIS ( 95 ) A O Sym= 1 Val= 0.588 DA= 3.14 DHA= 25.95 85 HIS ( 100 ) A N -> 81 ARG ( 96 ) A O Sym= 1 Val= 0.591 DA= 2.97 DHA= 29.08 86 LEU ( 101 ) A N -> 82 ARG ( 97 ) A O Sym= 1 Val= 0.386 DA= 3.50 DHA= 33.29 86 LEU ( 101 ) A N -> 83 ALA ( 98 ) A O Sym= 1 Val= 0.011 DA= 3.32 DHA= 53.29 87 ILE ( 102 ) A N -> 84 ILE ( 99 ) A O Sym= 1 Val= 0.366 DA= 2.97 DHA= 47.19 87 ILE ( 102 ) A N -> 83 ALA ( 98 ) A O Sym= 1 Val= 0.218 DA= 3.67 DHA= 34.88 88 THR ( 103 ) A N -> 84 ILE ( 99 ) A O Sym= 1 Val= 0.353 DA= 2.93 DHA= 69.66 88 THR ( 103 ) A N -> 85 HIS ( 100 ) A O Sym= 1 Val= 0.241 DA= 3.45 DHA= 20.36 88 THR ( 103 ) A OG1 -> 84 ILE ( 99 ) A O Sym= 1 Val= 0.628 DA= 2.69 DHA= 14.24 90 TYR ( 105 ) A N -> 87 ILE ( 102 ) A O Sym= 1 Val= 0.549 DA= 3.20 DHA= 21.97