==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ALLERGEN, OXIDOREDUCTASE 13-SEP-11 3TSH . COMPND 2 MOLECULE: POLLEN ALLERGEN PHL P 4; . SOURCE 2 ORGANISM_SCIENTIFIC: PHLEUM PRATENSE; . AUTHOR D.ZAFRED,A.NANDY,W.KELLER . 490 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18990.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 319 65.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 2.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 77 15.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 33 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 117 23.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 2 1 3 1 0 2 1 4 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 3 3 1 1 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 9 A E > 0 0 189 0, 0.0 4,-2.6 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -52.5 -31.4 4.3 10.9 2 10 A D H > + 0 0 115 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.948 360.0 45.9 -52.6 -53.6 -33.8 5.5 13.5 3 11 A F H > S+ 0 0 7 1,-0.2 4,-2.1 2,-0.2 3,-0.2 0.959 112.5 48.4 -61.2 -51.7 -34.4 8.8 11.6 4 12 A L H > S+ 0 0 51 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.905 107.9 57.0 -55.7 -40.5 -34.8 7.0 8.2 5 13 A G H X S+ 0 0 36 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.914 106.6 48.5 -57.1 -46.1 -37.3 4.6 9.8 6 14 A a H X S+ 0 0 18 -4,-2.0 4,-0.8 -3,-0.2 -1,-0.2 0.900 112.6 48.7 -57.2 -45.6 -39.5 7.5 10.9 7 15 A L H >X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.2 3,-1.3 0.944 108.0 52.6 -62.9 -49.5 -39.3 9.1 7.4 8 16 A V H 3< S+ 0 0 80 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.849 105.2 58.0 -56.0 -35.8 -40.2 5.8 5.6 9 17 A K H 3< S+ 0 0 162 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.775 121.1 23.0 -64.1 -30.4 -43.3 5.5 7.9 10 18 A E H << S+ 0 0 113 -3,-1.3 -2,-0.2 -4,-0.8 -1,-0.2 0.671 114.8 56.3-114.6 -22.9 -44.7 8.9 6.8 11 19 A I S < S- 0 0 4 -4,-2.7 -1,-0.1 -5,-0.1 5,-0.1 -0.927 89.9 -94.9-121.9 139.7 -43.4 9.9 3.4 12 20 A P > - 0 0 48 0, 0.0 3,-2.2 0, 0.0 4,-0.1 -0.251 34.2-132.2 -50.4 129.5 -43.5 8.0 0.0 13 21 A P G > S+ 0 0 97 0, 0.0 3,-1.6 0, 0.0 -5,-0.1 0.739 102.5 68.3 -63.2 -21.0 -40.3 6.2 -0.3 14 22 A R G 3 S+ 0 0 168 1,-0.3 0, 0.0 3,-0.0 0, 0.0 0.679 97.1 55.5 -69.9 -15.2 -39.7 7.4 -3.9 15 23 A L G < S+ 0 0 1 -3,-2.2 35,-2.6 34,-0.1 2,-0.4 0.335 95.5 83.3 -97.7 6.4 -39.2 10.9 -2.3 16 24 A L E < -A 49 0A 20 -3,-1.6 2,-0.4 33,-0.2 33,-0.2 -0.931 56.8-173.8-114.8 136.5 -36.4 9.7 -0.0 17 25 A Y E -A 48 0A 39 31,-2.1 31,-2.4 -2,-0.4 2,-0.2 -0.994 5.6-169.9-133.1 125.1 -32.8 9.3 -1.1 18 26 A A E > -A 47 0A 21 -2,-0.4 3,-1.9 29,-0.2 6,-0.2 -0.652 46.0 -97.9 -99.6 167.2 -29.8 7.8 0.8 19 27 A K T 3 S+ 0 0 117 27,-0.8 28,-0.1 1,-0.3 5,-0.1 0.791 125.6 53.3 -52.4 -27.3 -26.2 8.1 -0.3 20 28 A S T 3 S+ 0 0 111 4,-0.1 -1,-0.3 3,-0.1 -3,-0.0 0.549 79.5 110.4 -91.0 -10.6 -26.5 4.6 -1.8 21 29 A S S X S- 0 0 34 -3,-1.9 3,-1.4 1,-0.1 -4,-0.0 -0.492 73.5-132.0 -64.6 132.9 -29.6 5.4 -3.9 22 30 A P T 3 S+ 0 0 135 0, 0.0 4,-0.3 0, 0.0 -1,-0.1 0.835 106.4 48.1 -56.1 -35.2 -28.6 5.4 -7.6 23 31 A A T 3> S+ 0 0 41 1,-0.2 4,-2.5 2,-0.1 3,-0.2 0.481 83.8 96.2 -84.6 -5.5 -30.4 8.8 -8.1 24 32 A Y H <> S+ 0 0 12 -3,-1.4 4,-3.2 -6,-0.2 5,-0.3 0.917 80.5 52.4 -54.3 -48.6 -28.8 10.5 -5.1 25 33 A P H > S+ 0 0 87 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.892 114.6 41.2 -58.0 -38.8 -25.9 12.2 -7.0 26 34 A S H > S+ 0 0 80 -4,-0.3 4,-1.3 -3,-0.2 -2,-0.2 0.872 114.1 51.2 -81.5 -33.1 -28.2 13.8 -9.6 27 35 A V H >< S+ 0 0 11 -4,-2.5 3,-0.6 2,-0.2 4,-0.3 0.959 115.1 45.1 -58.5 -51.4 -31.0 14.7 -7.0 28 36 A L H >< S+ 0 0 7 -4,-3.2 3,-0.6 -5,-0.2 -2,-0.2 0.922 118.8 42.4 -56.5 -47.3 -28.2 16.4 -5.0 29 37 A G H >< S+ 0 0 28 -4,-2.4 3,-1.3 -5,-0.3 -1,-0.2 0.606 85.5 96.1 -78.0 -11.8 -26.6 18.1 -8.1 30 38 A Q T << S+ 0 0 74 -4,-1.3 -1,-0.2 -3,-0.6 -2,-0.1 0.733 101.6 18.7 -57.4 -32.3 -29.8 19.2 -9.8 31 39 A T T < S+ 0 0 7 -3,-0.6 2,-0.5 -4,-0.3 -1,-0.3 0.114 85.6 127.6-128.7 19.0 -29.8 22.8 -8.4 32 40 A I < - 0 0 8 -3,-1.3 46,-0.1 1,-0.1 45,-0.1 -0.697 33.2-178.9 -71.7 124.3 -26.2 23.2 -7.3 33 41 A R + 0 0 18 44,-0.7 2,-0.4 -2,-0.5 -1,-0.1 0.322 57.8 64.9-109.5 3.3 -25.2 26.4 -9.1 34 42 A N > - 0 0 5 292,-0.1 3,-1.9 1,-0.1 4,-0.4 -0.975 65.2-151.0-136.6 116.9 -21.5 26.7 -8.1 35 43 A S T 3> S+ 0 0 25 292,-2.4 4,-0.5 -2,-0.4 3,-0.4 0.644 93.1 71.8 -66.3 -13.4 -18.9 24.1 -9.1 36 44 A R T 34 S+ 0 0 49 291,-0.4 -1,-0.3 1,-0.2 3,-0.1 0.823 104.5 39.6 -62.4 -29.3 -17.0 24.8 -6.0 37 45 A W T <4 S+ 0 0 22 -3,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.404 102.0 68.0-108.3 0.3 -19.6 23.0 -4.0 38 46 A S T 4 S+ 0 0 54 -3,-0.4 -1,-0.2 -4,-0.4 -2,-0.1 0.642 75.9 103.9 -93.3 -17.3 -20.5 20.1 -6.2 39 47 A S S >< S- 0 0 35 -4,-0.5 3,-1.9 -3,-0.1 -3,-0.0 -0.198 84.1-109.0 -73.6 159.2 -17.2 18.2 -5.9 40 48 A P T 3 S+ 0 0 122 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.671 111.0 70.1 -68.9 -13.7 -16.8 15.1 -3.8 41 49 A D T 3 S+ 0 0 132 2,-0.1 2,-0.2 0, 0.0 -2,-0.0 0.614 81.3 97.8 -72.9 -12.2 -14.6 16.8 -1.1 42 50 A N S < S- 0 0 12 -3,-1.9 2,-0.3 1,-0.1 46,-0.1 -0.530 89.4-103.1 -75.4 144.4 -17.8 18.8 -0.0 43 51 A V - 0 0 31 44,-0.8 44,-0.4 -2,-0.2 -1,-0.1 -0.495 43.3-151.9 -70.5 127.7 -19.8 17.5 3.0 44 52 A K - 0 0 50 -2,-0.3 49,-0.2 42,-0.1 47,-0.2 -0.736 16.9-101.7-104.9 154.1 -22.9 15.7 1.7 45 53 A P - 0 0 0 0, 0.0 49,-0.2 0, 0.0 3,-0.1 -0.405 19.4-136.5 -69.1 146.1 -26.3 15.2 3.3 46 54 A L S S+ 0 0 62 47,-2.5 -27,-0.8 1,-0.2 2,-0.3 0.873 88.6 8.5 -65.6 -37.7 -27.0 11.8 4.9 47 55 A Y E -Ab 18 94A 27 46,-0.7 48,-2.2 -29,-0.2 2,-0.4 -0.968 64.1-149.0-141.4 154.0 -30.5 11.8 3.3 48 56 A I E -Ab 17 95A 0 -31,-2.4 -31,-2.1 -2,-0.3 2,-0.5 -0.998 10.9-165.8-124.1 130.4 -32.4 13.9 0.8 49 57 A I E -Ab 16 96A 0 46,-3.2 48,-3.1 -2,-0.4 -33,-0.2 -0.974 4.8-166.9-115.5 131.3 -36.2 14.3 1.0 50 58 A T - 0 0 2 -35,-2.6 48,-0.1 -2,-0.5 46,-0.1 -0.733 16.6-162.0-114.8 80.4 -38.1 15.8 -2.0 51 59 A P - 0 0 0 0, 0.0 49,-0.3 0, 0.0 3,-0.1 -0.234 21.1-177.8 -63.3 150.0 -41.6 16.6 -0.6 52 60 A T S S+ 0 0 40 1,-0.2 2,-0.3 47,-0.1 50,-0.1 0.416 74.1 44.1-119.3 -8.2 -44.5 17.1 -3.0 53 61 A Q S >> S- 0 0 111 1,-0.1 4,-1.0 48,-0.1 3,-1.0 -0.964 82.2-121.6-134.7 150.2 -47.0 18.0 -0.2 54 62 A V H 3> S+ 0 0 26 -2,-0.3 4,-2.5 1,-0.3 3,-0.5 0.890 112.4 64.6 -61.3 -34.4 -46.8 20.2 2.8 55 63 A S H 3> S+ 0 0 60 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.877 97.6 55.7 -56.4 -33.1 -47.6 17.1 5.0 56 64 A H H <> S+ 0 0 16 -3,-1.0 4,-2.1 2,-0.2 -1,-0.2 0.878 106.6 49.4 -66.5 -38.7 -44.3 15.6 3.8 57 65 A I H X S+ 0 0 0 -4,-1.0 4,-2.4 -3,-0.5 -2,-0.2 0.939 111.8 48.7 -63.4 -46.4 -42.4 18.7 5.1 58 66 A Q H X S+ 0 0 51 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.940 111.7 48.5 -60.1 -46.5 -44.1 18.5 8.4 59 67 A S H X S+ 0 0 26 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.880 111.3 51.4 -58.5 -41.3 -43.4 14.7 8.8 60 68 A A H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.898 111.6 45.6 -64.5 -44.8 -39.8 15.3 7.9 61 69 A V H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.921 112.0 51.3 -65.8 -43.3 -39.4 18.0 10.5 62 70 A V H X S+ 0 0 61 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.940 111.9 48.0 -58.4 -46.0 -41.2 16.0 13.2 63 71 A a H X S+ 0 0 2 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.910 110.6 51.7 -59.3 -43.0 -38.9 13.0 12.4 64 72 A G H <>S+ 0 0 0 -4,-2.2 5,-2.1 1,-0.2 4,-0.4 0.857 111.8 45.6 -66.4 -36.2 -35.8 15.3 12.6 65 73 A R H ><5S+ 0 0 73 -4,-2.3 3,-0.9 3,-0.2 -2,-0.2 0.944 113.7 49.2 -66.9 -49.5 -36.9 16.7 16.0 66 74 A R H 3<5S+ 0 0 187 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.892 123.1 32.1 -59.1 -39.1 -37.6 13.2 17.4 67 75 A H T 3<5S- 0 0 61 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.330 107.5-121.1-103.7 9.0 -34.3 11.7 16.2 68 76 A S T < 5 + 0 0 103 -3,-0.9 2,-0.5 -4,-0.4 -3,-0.2 0.911 61.7 143.8 50.9 50.0 -32.3 14.9 16.6 69 77 A V < - 0 0 19 -5,-2.1 -1,-0.2 -6,-0.2 -2,-0.1 -0.983 43.5-135.6-118.7 119.1 -31.2 15.1 12.9 70 78 A R E -c 93 0A 37 22,-0.5 24,-2.4 -2,-0.5 2,-0.4 -0.348 12.9-143.1 -75.3 156.2 -31.0 18.7 11.5 71 79 A I E -c 94 0A 0 407,-0.2 2,-0.5 22,-0.2 409,-0.3 -0.950 7.2-157.7-123.9 131.8 -32.4 19.7 8.1 72 80 A R E -c 95 0A 6 22,-2.7 24,-2.0 -2,-0.4 2,-0.3 -0.974 23.2-143.1-102.5 123.4 -31.1 22.2 5.5 73 81 A V E -c 96 0A 26 -2,-0.5 2,-0.4 22,-0.2 24,-0.2 -0.721 15.6-167.4 -90.3 137.4 -33.9 23.4 3.3 74 82 A R E +c 97 0A 0 22,-2.8 24,-3.4 -2,-0.3 25,-0.2 -0.991 20.6 159.3-124.3 131.6 -33.2 24.0 -0.4 75 83 A S S S- 0 0 15 -2,-0.4 24,-0.1 22,-0.2 -1,-0.1 0.652 85.7 -5.4-105.6 -83.0 -35.5 25.8 -2.9 76 84 A G S S- 0 0 6 41,-0.1 -2,-0.1 43,-0.1 42,-0.0 0.503 83.7-131.1 -93.1 -4.9 -33.5 27.0 -5.9 77 85 A G + 0 0 4 1,-0.1 -44,-0.7 -45,-0.1 7,-0.1 0.464 66.9 127.7 75.0 5.0 -30.0 26.1 -4.7 78 86 A H + 0 0 47 66,-0.1 -1,-0.1 -46,-0.1 4,-0.1 0.549 23.8 139.6 -73.7 -5.3 -28.4 29.5 -5.5 79 87 A D > - 0 0 39 1,-0.2 3,-1.8 2,-0.1 -46,-0.2 -0.106 55.6-135.7 -41.4 125.3 -26.9 30.0 -2.0 80 88 A Y T 3 S+ 0 0 33 350,-0.3 -1,-0.2 1,-0.3 249,-0.1 0.794 105.6 36.4 -62.1 -27.6 -23.5 31.5 -2.6 81 89 A E T 3 S- 0 0 5 249,-0.1 -1,-0.3 5,-0.0 -2,-0.1 0.312 110.8-119.4-101.1 7.0 -21.9 29.2 -0.1 82 90 A G X> + 0 0 0 -3,-1.8 3,-2.3 1,-0.1 4,-1.7 0.718 61.0 150.2 63.8 22.7 -24.1 26.2 -0.9 83 91 A L T 34 + 0 0 2 1,-0.3 -1,-0.1 2,-0.2 -10,-0.1 0.594 61.3 67.9 -72.0 -5.8 -25.5 26.2 2.7 84 92 A S T 34 S+ 0 0 16 1,-0.1 -1,-0.3 -7,-0.1 12,-0.2 0.584 121.3 14.2 -78.5 -12.7 -28.8 24.8 1.5 85 93 A Y T <4 S+ 0 0 3 -3,-2.3 2,-0.3 1,-0.2 -2,-0.2 0.412 123.3 45.2-144.3 -4.5 -27.1 21.4 0.5 86 94 A R < - 0 0 24 -4,-1.7 2,-0.3 -42,-0.1 -1,-0.2 -0.957 60.2-143.9-136.2 157.4 -23.5 21.3 2.1 87 95 A S - 0 0 0 -44,-0.4 -44,-0.8 -2,-0.3 4,-0.1 -0.827 21.5-127.4-112.0 160.5 -22.0 22.0 5.5 88 96 A L S S+ 0 0 25 -2,-0.3 -1,-0.1 -46,-0.1 -45,-0.1 0.870 93.8 28.2 -72.3 -37.8 -18.5 23.5 6.0 89 97 A Q S S- 0 0 120 1,-0.1 -2,-0.0 -47,-0.1 -1,-0.0 -0.813 106.3 -75.4-123.1 158.0 -17.3 20.7 8.4 90 98 A P S S+ 0 0 109 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.290 70.1 134.4 -58.7 135.7 -18.4 17.1 8.7 91 99 A E - 0 0 79 -47,-0.2 2,-0.5 -4,-0.1 -4,-0.1 -0.920 55.3 -97.3-172.4 158.8 -21.8 16.7 10.3 92 100 A T + 0 0 85 -2,-0.3 -22,-0.5 -47,-0.1 2,-0.3 -0.756 53.4 142.5 -87.5 127.3 -25.0 14.8 9.9 93 101 A F E - c 0 70A 0 -2,-0.5 -47,-2.5 -49,-0.2 -46,-0.7 -0.976 37.1-138.1-155.2 156.0 -27.9 16.6 8.1 94 102 A A E -bc 47 71A 0 -24,-2.4 -22,-2.7 -2,-0.3 2,-0.5 -0.871 18.8-133.1-107.6 154.6 -30.7 15.9 5.7 95 103 A V E -bc 48 72A 0 -48,-2.2 -46,-3.2 -2,-0.3 2,-0.7 -0.923 6.5-156.6-104.8 129.5 -31.7 18.2 2.8 96 104 A V E -bc 49 73A 0 -24,-2.0 -22,-2.8 -2,-0.5 2,-0.6 -0.948 19.2-162.9-100.3 111.0 -35.4 19.0 2.4 97 105 A D E - c 0 74A 1 -48,-3.1 3,-0.4 -2,-0.7 -22,-0.2 -0.882 12.8-169.7-107.0 117.7 -35.4 19.9 -1.3 98 106 A L > + 0 0 2 -24,-3.4 3,-2.7 -2,-0.6 20,-0.3 0.313 49.2 115.7 -91.8 11.1 -38.5 21.8 -2.4 99 107 A N T 3 S+ 0 0 12 1,-0.3 -1,-0.2 -25,-0.2 21,-0.1 0.755 75.0 55.9 -61.3 -23.0 -38.1 21.7 -6.2 100 108 A K T 3 S+ 0 0 83 -3,-0.4 2,-0.9 -49,-0.3 -1,-0.3 0.566 92.2 74.0 -84.5 -8.7 -41.2 19.6 -6.8 101 109 A M < + 0 0 15 -3,-2.7 17,-1.2 1,-0.1 18,-0.3 -0.862 59.6 132.5-105.1 95.9 -43.4 22.1 -4.9 102 110 A R + 0 0 121 -2,-0.9 2,-0.1 16,-0.2 18,-0.1 0.012 18.7 142.1-142.1 21.4 -43.5 24.7 -7.6 103 111 A A - 0 0 38 16,-0.1 13,-2.6 -3,-0.1 2,-0.4 -0.459 27.0-168.5 -70.3 143.3 -47.1 25.7 -8.1 104 112 A V E -D 115 0B 29 11,-0.2 2,-0.6 -2,-0.1 11,-0.2 -0.971 1.6-172.0-134.1 120.3 -47.9 29.4 -8.8 105 113 A W E -D 114 0B 196 9,-2.8 9,-2.3 -2,-0.4 2,-0.4 -0.938 7.2-164.2-117.0 112.6 -51.5 30.5 -8.6 106 114 A V E -D 113 0B 38 -2,-0.6 2,-0.8 7,-0.2 7,-0.2 -0.783 15.0-164.4-103.6 131.5 -52.2 34.1 -9.8 107 115 A D E >> -D 112 0B 75 5,-3.0 5,-1.7 -2,-0.4 4,-1.2 -0.858 12.2-176.6-108.7 91.4 -55.4 36.0 -9.1 108 116 A G T 45S+ 0 0 26 -2,-0.8 -1,-0.2 1,-0.2 3,-0.1 0.871 78.9 51.7 -57.6 -40.6 -55.0 38.8 -11.7 109 117 A K T 45S+ 0 0 196 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.914 115.2 39.7 -67.9 -45.0 -58.2 40.6 -10.5 110 118 A A T 45S- 0 0 57 2,-0.2 -1,-0.2 -3,-0.0 -2,-0.2 0.622 105.5-130.6 -73.9 -13.4 -57.2 40.7 -6.8 111 119 A R T <5 + 0 0 126 -4,-1.2 103,-2.9 1,-0.3 2,-0.3 0.937 69.3 112.4 56.2 47.9 -53.5 41.5 -7.9 112 120 A T E < -DE 107 213B 27 -5,-1.7 -5,-3.0 101,-0.3 2,-0.3 -0.951 44.7-168.4-139.8 161.3 -52.2 38.7 -5.6 113 121 A A E -DE 106 212B 1 99,-1.9 99,-2.7 -2,-0.3 2,-0.5 -0.989 19.1-139.0-148.6 147.4 -50.6 35.4 -6.1 114 122 A W E -DE 105 211B 89 -9,-2.3 -9,-2.8 -2,-0.3 2,-0.5 -0.938 28.5-174.2-102.8 127.7 -49.6 32.3 -4.1 115 123 A V E -DE 104 210B 0 95,-2.9 95,-2.7 -2,-0.5 -11,-0.2 -0.975 21.2-130.6-129.7 123.3 -46.2 31.0 -5.0 116 124 A D E > - 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0 0 34 -7,-2.7 4,-2.0 1,-0.1 -7,-0.3 -0.509 4.8-135.0 -80.6 145.0 -23.8 31.5 20.2 448 456 A Y H > S+ 0 0 45 39,-0.2 4,-2.2 1,-0.2 -1,-0.1 0.912 103.8 54.7 -60.5 -44.8 -25.2 35.0 20.1 449 457 A A H > S+ 0 0 72 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.898 109.3 46.2 -63.6 -40.0 -21.8 36.7 20.2 450 458 A S H >> S+ 0 0 17 1,-0.2 4,-0.8 2,-0.2 3,-0.6 0.911 112.5 51.0 -66.1 -40.1 -20.5 34.7 17.1 451 459 A G H 3X S+ 0 0 0 -4,-2.0 4,-2.9 1,-0.2 3,-0.3 0.877 101.9 62.4 -62.5 -35.3 -23.7 35.5 15.2 452 460 A K H 3X S+ 0 0 85 -4,-2.2 4,-2.1 1,-0.2 5,-0.2 0.810 91.1 66.7 -65.3 -29.7 -23.5 39.2 15.9 453 461 A V H << S+ 0 0 82 -4,-0.8 4,-0.3 -3,-0.6 -1,-0.2 0.954 120.5 17.6 -59.8 -53.1 -20.1 39.5 14.1 454 462 A W H >X S+ 0 0 2 -4,-0.8 4,-1.9 -3,-0.3 3,-0.6 0.763 119.7 68.6 -84.7 -28.8 -21.6 38.8 10.6 455 463 A G H 3X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.3 5,-0.3 0.858 95.9 52.1 -62.5 -38.0 -25.2 39.5 11.6 456 464 A Q H 3X S+ 0 0 83 -4,-2.1 4,-1.4 3,-0.2 -1,-0.3 0.773 105.9 57.4 -70.0 -24.4 -24.7 43.2 12.2 457 465 A K H <4 S+ 0 0 48 -3,-0.6 -30,-1.9 -4,-0.3 -2,-0.2 0.940 117.2 31.4 -70.7 -45.1 -23.2 43.4 8.7 458 466 A Y H < S+ 0 0 4 -4,-1.9 -29,-0.4 -32,-0.2 -76,-0.2 0.841 139.0 20.1 -75.7 -33.0 -26.3 41.9 7.0 459 467 A F H >< S- 0 0 5 -4,-2.4 3,-2.7 -5,-0.2 -3,-0.2 0.418 79.1-170.5-123.5 -5.0 -29.0 43.2 9.4 460 468 A K G >< S+ 0 0 55 -4,-1.4 3,-1.6 -5,-0.3 4,-0.2 -0.166 78.7 1.6 48.2-125.0 -27.4 46.2 11.2 461 469 A G G 3 S+ 0 0 70 1,-0.3 4,-0.4 2,-0.1 -1,-0.3 0.522 127.0 68.8 -71.5 -8.4 -29.7 47.3 14.1 462 470 A N G <> S+ 0 0 9 -3,-2.7 4,-2.3 -83,-0.2 -1,-0.3 0.557 74.1 88.5 -85.4 -11.4 -32.2 44.5 13.3 463 471 A F H <> S+ 0 0 2 -3,-1.6 4,-2.4 1,-0.2 5,-0.2 0.900 85.1 49.8 -57.8 -45.6 -29.9 41.7 14.4 464 472 A E H > S+ 0 0 111 -3,-0.3 4,-2.4 -4,-0.2 -1,-0.2 0.931 111.0 48.4 -66.7 -41.7 -31.0 41.7 18.0 465 473 A R H > S+ 0 0 93 -4,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.914 110.8 52.8 -61.7 -40.1 -34.7 41.6 17.3 466 474 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.927 111.6 46.6 -56.7 -43.5 -34.0 38.7 14.8 467 475 A A H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 21,-2.4 0.877 110.9 49.8 -72.6 -34.5 -32.2 36.8 17.5 468 476 A I H X S+ 0 0 70 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.938 113.2 47.7 -67.6 -43.9 -34.9 37.4 20.2 469 477 A T H X S+ 0 0 2 -4,-2.5 4,-2.6 2,-0.2 5,-0.3 0.914 110.1 52.7 -58.6 -44.7 -37.5 36.2 17.6 470 478 A K H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.925 106.7 53.0 -57.2 -45.2 -35.2 33.2 16.9 471 479 A G H < S+ 0 0 10 -4,-2.6 -1,-0.2 15,-0.3 -2,-0.2 0.844 111.8 46.8 -58.5 -37.3 -35.1 32.4 20.6 472 480 A K H < S+ 0 0 129 -4,-1.7 -2,-0.2 2,-0.2 -1,-0.2 0.886 121.7 32.8 -71.4 -41.8 -38.9 32.4 20.8 473 481 A V H < S+ 0 0 30 -4,-2.6 -295,-0.5 1,-0.2 -2,-0.2 0.659 138.6 13.5 -93.6 -13.6 -39.6 30.3 17.7 474 482 A D >< + 0 0 4 -4,-2.4 3,-2.0 -5,-0.3 -1,-0.2 -0.342 63.7 162.8-160.6 61.0 -36.6 27.9 17.8 475 483 A P T 3 S+ 0 0 62 0, 0.0 14,-0.1 0, 0.0 -4,-0.1 0.781 79.7 55.9 -64.6 -25.0 -34.8 28.1 21.2 476 484 A T T 3 S- 0 0 64 -31,-0.1 -5,-0.1 -5,-0.0 -2,-0.0 0.466 108.7-124.7 -86.2 3.0 -32.9 24.8 20.6 477 485 A D < + 0 0 0 -3,-2.0 3,-0.1 -7,-0.2 -31,-0.1 0.935 54.0 155.6 57.0 47.0 -31.5 26.2 17.3 478 486 A Y + 0 0 7 1,-0.2 2,-1.1 -275,-0.1 -407,-0.2 0.978 62.1 52.9 -67.1 -56.6 -32.9 23.3 15.2 479 487 A F S S+ 0 0 1 -276,-0.2 2,-0.3 -409,-0.1 -1,-0.2 -0.692 87.3 126.7 -85.0 98.6 -33.0 25.1 11.8 480 488 A R - 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