==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-APR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 08-JUL-08 2VXN . COMPND 2 MOLECULE: TRIOSEPHOSPHATE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LEISHMANIA MEXICANA; . AUTHOR M.ALAHUHTA,R.K.WIERENGA . 249 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11212.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 175 70.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 39 15.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 18 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 79 31.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.0 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 0 2 4 1 0 0 0 0 0 3 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 1 3 2 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 . 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 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 1 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 2 A A 0 0 151 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 140.4 1.1 4.5 10.1 2 3 A K - 0 0 67 1,-0.1 202,-0.1 225,-0.0 204,-0.1 -0.327 360.0-113.9 -62.5 147.1 4.7 3.7 10.7 3 4 A P - 0 0 28 0, 0.0 -1,-0.1 0, 0.0 201,-0.1 -0.209 56.4 -59.5 -69.3 172.2 6.3 5.0 13.9 4 5 A Q - 0 0 59 1,-0.1 32,-0.1 200,-0.1 224,-0.0 -0.296 64.5-124.5 -53.9 127.8 9.0 7.6 13.9 5 6 A P - 0 0 10 0, 0.0 32,-2.7 0, 0.0 2,-0.4 -0.306 17.1-144.7 -74.9 163.4 11.9 6.3 11.9 6 7 A I E -ab 37 229A 0 222,-1.9 224,-1.8 30,-0.2 2,-0.5 -0.991 10.8-168.7-125.9 137.0 15.5 6.1 13.1 7 8 A A E -ab 38 230A 0 30,-2.0 32,-2.2 -2,-0.4 2,-0.4 -0.976 20.9-172.7-121.1 111.6 18.7 6.6 11.1 8 9 A A E -ab 39 231A 1 222,-2.8 224,-3.0 -2,-0.5 2,-0.7 -0.923 17.1-151.1-118.7 131.5 21.6 5.4 13.3 9 10 A A E -ab 40 232A 0 30,-3.0 32,-3.0 -2,-0.4 2,-1.0 -0.875 6.4-169.0-101.3 108.5 25.3 5.8 12.6 10 11 A N E -a 41 0A 6 222,-2.9 226,-0.2 -2,-0.7 227,-0.1 -0.843 4.6-177.7 -95.2 96.7 27.5 3.0 14.1 11 12 A W - 0 0 1 30,-1.7 -1,-0.1 -2,-1.0 32,-0.1 0.606 19.3-165.7 -71.2 -10.3 30.9 4.5 13.6 12 13 A K - 0 0 41 29,-0.4 2,-1.5 1,-0.2 -1,-0.2 -0.213 59.9 -22.7 53.5-149.7 32.5 1.3 15.2 13 14 A C S S+ 0 0 118 29,-0.1 2,-0.3 30,-0.1 -1,-0.2 -0.544 110.8 108.5 -94.3 69.6 36.1 1.7 16.1 14 15 A N + 0 0 76 -2,-1.5 29,-0.4 -3,-0.1 2,-0.1 -0.999 33.6 77.1-146.9 144.2 36.9 4.5 13.8 15 16 A G - 0 0 36 -2,-0.3 2,-0.3 27,-0.1 3,-0.1 -0.408 37.6-142.2 139.4 153.0 37.7 8.2 13.8 16 17 A T > - 0 0 81 -2,-0.1 4,-2.7 1,-0.1 5,-0.3 -0.892 38.9-108.9-123.9 164.4 40.1 11.0 14.4 17 18 A T H > S+ 0 0 81 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.938 121.5 47.8 -56.6 -44.0 39.4 14.4 15.9 18 19 A A H > S+ 0 0 49 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.917 113.0 46.0 -64.8 -42.7 39.9 15.9 12.5 19 20 A S H > S+ 0 0 56 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.898 114.1 48.7 -69.5 -38.3 37.7 13.4 10.6 20 21 A I H X S+ 0 0 4 -4,-2.7 4,-3.0 2,-0.2 5,-0.3 0.919 109.0 52.4 -66.6 -43.7 34.9 13.6 13.2 21 22 A E H X S+ 0 0 75 -4,-2.5 4,-1.9 -5,-0.3 -1,-0.2 0.929 112.7 45.8 -59.8 -42.4 34.9 17.4 13.2 22 23 A K H X S+ 0 0 144 -4,-2.0 4,-1.9 -5,-0.2 -2,-0.2 0.933 115.5 45.0 -64.8 -46.2 34.6 17.4 9.4 23 24 A L H X S+ 0 0 17 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.905 111.5 52.3 -68.3 -41.0 31.8 14.8 9.3 24 25 A V H X S+ 0 0 2 -4,-3.0 4,-2.8 1,-0.2 31,-0.2 0.893 107.1 53.4 -61.2 -39.5 29.9 16.4 12.1 25 26 A Q H X S+ 0 0 104 -4,-1.9 4,-2.3 -5,-0.3 -1,-0.2 0.925 108.4 50.5 -60.4 -42.6 30.0 19.7 10.3 26 27 A V H X S+ 0 0 38 -4,-1.9 4,-0.9 1,-0.2 -2,-0.2 0.921 112.4 46.6 -58.9 -44.6 28.5 17.9 7.2 27 28 A F H >< S+ 0 0 0 -4,-2.4 3,-0.5 1,-0.2 -2,-0.2 0.897 111.6 51.4 -65.1 -39.5 25.8 16.4 9.4 28 29 A N H 3< S+ 0 0 48 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.881 109.2 50.2 -62.4 -40.1 25.1 19.8 11.1 29 30 A E H 3< S+ 0 0 126 -4,-2.3 2,-0.9 -5,-0.2 -1,-0.2 0.629 88.5 91.7 -78.3 -12.7 24.7 21.6 7.7 30 31 A H S << S- 0 0 24 -4,-0.9 2,-0.4 -3,-0.5 -1,-0.1 -0.716 73.7-147.6 -87.1 106.2 22.2 19.0 6.4 31 32 A T - 0 0 124 -2,-0.9 2,-0.4 25,-0.0 -2,-0.1 -0.625 8.0-152.1 -81.5 126.1 18.9 20.4 7.3 32 33 A I - 0 0 16 -2,-0.4 4,-0.1 1,-0.1 214,-0.0 -0.917 16.0-179.5-108.5 130.0 16.3 17.7 8.0 33 34 A S + 0 0 116 -2,-0.4 2,-0.3 2,-0.1 -1,-0.1 -0.031 56.9 66.2-121.0 18.2 12.6 18.5 7.5 34 35 A H S S- 0 0 34 2,-0.1 2,-0.7 0, 0.0 215,-0.1 -0.919 93.0 -86.7-133.5 166.4 10.8 15.4 8.5 35 36 A D + 0 0 100 -2,-0.3 2,-0.3 214,-0.1 -2,-0.1 -0.611 68.1 135.8 -77.3 110.7 10.3 13.5 11.8 36 37 A V - 0 0 3 -2,-0.7 2,-0.8 -32,-0.1 -30,-0.2 -0.961 50.6-132.8-154.2 138.9 13.2 11.2 12.3 37 38 A Q E -a 6 0A 38 -32,-2.7 -30,-2.0 -2,-0.3 2,-0.3 -0.880 25.6-162.8 -93.3 111.9 15.5 10.3 15.2 38 39 A C E -ac 7 59A 0 20,-2.9 22,-1.7 -2,-0.8 2,-0.4 -0.743 6.6-167.0 -90.8 145.2 19.1 10.4 14.0 39 40 A V E -ac 8 60A 1 -32,-2.2 -30,-3.0 -2,-0.3 2,-0.5 -0.998 11.9-164.7-134.0 135.3 21.6 8.7 16.2 40 41 A V E -ac 9 61A 0 20,-2.1 22,-2.6 -2,-0.4 -30,-0.2 -0.994 3.0-168.9-119.7 129.1 25.4 8.9 16.2 41 42 A A E +a 10 0A 1 -32,-3.0 -30,-1.7 -2,-0.5 -29,-0.4 -0.865 15.5 176.0-116.2 91.5 27.4 6.2 18.1 42 43 A P - 0 0 1 0, 0.0 22,-0.4 0, 0.0 5,-0.1 -0.386 42.9 -79.6 -82.5 171.5 31.0 7.2 18.3 43 44 A T >> - 0 0 24 -29,-0.4 3,-1.4 -31,-0.1 4,-0.7 -0.320 50.8-103.8 -61.0 159.9 33.7 5.4 20.2 44 45 A F G >4 S+ 0 0 73 1,-0.3 3,-1.2 2,-0.2 -1,-0.1 0.864 121.0 53.0 -56.3 -42.5 33.7 6.1 23.9 45 46 A V G 34 S+ 0 0 122 1,-0.2 4,-0.3 2,-0.1 -1,-0.3 0.708 109.2 50.8 -70.8 -18.1 36.7 8.4 23.8 46 47 A H G <> S+ 0 0 26 -3,-1.4 4,-2.4 1,-0.1 -1,-0.2 0.435 82.6 93.3 -94.0 -4.7 35.0 10.5 21.0 47 48 A I H S+ 0 0 64 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.906 110.5 50.9 -61.4 -38.2 32.7 14.3 24.4 49 50 A L H > S+ 0 0 32 -4,-0.3 4,-1.8 2,-0.2 5,-0.2 0.937 112.7 45.8 -62.0 -46.7 33.9 15.7 21.1 50 51 A V H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.922 111.0 52.8 -63.7 -40.0 30.7 14.7 19.4 51 52 A Q H < S+ 0 0 55 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.872 112.7 46.1 -60.6 -34.7 28.7 16.2 22.3 52 53 A A H < S+ 0 0 54 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.786 124.7 28.9 -75.0 -32.6 30.6 19.4 21.9 53 54 A K H < S+ 0 0 98 -4,-1.8 2,-0.4 -5,-0.1 -2,-0.2 0.734 93.5 90.5-106.6 -32.5 30.3 19.7 18.1 54 55 A L < + 0 0 14 -4,-2.8 -29,-0.1 -5,-0.2 7,-0.1 -0.612 37.5 152.7 -77.0 124.5 27.0 18.0 17.0 55 56 A R + 0 0 166 -2,-0.4 -1,-0.2 -31,-0.2 -30,-0.0 0.459 20.9 126.4-129.3 -9.8 24.2 20.5 16.9 56 57 A N > - 0 0 11 -32,-0.2 3,-2.0 1,-0.2 -28,-0.1 -0.363 59.3-137.0 -58.7 126.2 21.7 19.2 14.4 57 58 A P T 3 S+ 0 0 124 0, 0.0 -1,-0.2 0, 0.0 -29,-0.0 0.621 97.2 63.7 -69.0 -12.6 18.4 19.1 16.4 58 59 A K T 3 S+ 0 0 59 -21,-0.1 -20,-2.9 2,-0.0 2,-0.3 0.467 91.2 91.7 -82.9 -3.3 17.4 15.7 15.0 59 60 A Y E < +c 38 0A 22 -3,-2.0 2,-0.3 -22,-0.2 -20,-0.2 -0.714 45.1 178.6-104.2 149.1 20.3 13.9 16.5 60 61 A V E -c 39 0A 31 -22,-1.7 -20,-2.1 -2,-0.3 2,-0.4 -0.913 28.8-119.5-131.8 160.5 21.1 12.1 19.8 61 62 A I E -c 40 0A 28 -2,-0.3 28,-0.6 -22,-0.2 27,-0.5 -0.842 27.6-170.9-107.6 136.7 24.3 10.4 20.8 62 63 A S E -d 89 0A 0 -22,-2.6 28,-0.2 -2,-0.4 2,-0.2 -0.920 20.3-126.4-121.8 152.0 24.6 6.7 21.6 63 64 A A E -d 90 0A 0 26,-2.3 28,-2.2 -2,-0.3 -20,-0.1 -0.575 16.3-136.7 -84.3 160.6 27.3 4.5 23.1 64 65 A Q S S- 0 0 44 -22,-0.4 2,-0.3 1,-0.2 30,-0.3 0.493 80.3 -14.1 -93.1 -8.3 28.3 1.3 21.2 65 66 A N - 0 0 6 27,-0.1 2,-0.3 28,-0.1 -1,-0.2 -0.926 62.0-177.4-175.2 168.9 28.3 -0.9 24.3 66 67 A A - 0 0 0 -2,-0.3 2,-0.3 -3,-0.1 12,-0.2 -0.942 24.2-123.2-167.6 165.5 28.3 -0.7 28.1 67 68 A I B -i 78 0B 31 10,-2.0 12,-2.3 -2,-0.3 -2,-0.0 -0.799 31.0-119.8-108.1 159.5 28.4 -2.9 31.2 68 69 A A S S+ 0 0 25 -2,-0.3 2,-0.4 10,-0.2 10,-0.1 0.829 84.3 31.8 -71.1 -36.9 25.6 -2.7 33.7 69 70 A K S S- 0 0 157 10,-0.1 -1,-0.1 9,-0.1 2,-0.1 -0.947 72.6-119.4-131.6 145.3 27.4 -1.6 36.8 70 71 A S + 0 0 64 -2,-0.4 2,-0.3 8,-0.1 7,-0.1 -0.334 62.2 82.9 -68.5 159.3 30.4 0.5 37.9 71 72 A G S S- 0 0 63 2,-0.1 2,-2.1 -2,-0.1 7,-0.1 -0.989 85.2 -5.5 143.0-149.7 33.3 -1.0 39.8 72 73 A A S S+ 0 0 99 -2,-0.3 2,-0.3 1,-0.1 -2,-0.0 -0.459 80.7 122.5 -88.9 72.2 36.5 -3.0 39.4 73 74 A F > - 0 0 108 -2,-2.1 3,-2.4 3,-0.1 -1,-0.1 -0.664 53.1-150.6-133.3 70.5 36.2 -3.7 35.6 74 75 A T T 3 S+ 0 0 149 1,-0.3 3,-0.1 -2,-0.3 -2,-0.1 -0.214 78.7 14.2 -54.4 129.5 39.4 -2.2 34.2 75 76 A G T 3 S+ 0 0 73 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 0.175 103.1 108.1 94.7 -15.2 38.8 -1.0 30.6 76 77 A E < - 0 0 91 -3,-2.4 2,-0.4 -10,-0.0 -1,-0.3 -0.567 57.2-141.7 -98.5 161.3 35.0 -1.0 30.6 77 78 A V - 0 0 32 -2,-0.2 -10,-2.0 -3,-0.1 2,-0.2 -0.979 21.4-143.6-122.0 129.7 32.4 1.8 30.7 78 79 A S B > -i 67 0B 2 -2,-0.4 4,-2.2 -12,-0.2 -10,-0.2 -0.505 21.1-115.8 -96.1 163.0 29.3 1.4 32.7 79 80 A M H > S+ 0 0 0 -12,-2.3 4,-2.6 1,-0.2 5,-0.2 0.899 115.1 52.6 -61.6 -43.7 25.7 2.4 32.2 80 81 A P H > S+ 0 0 54 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.892 108.6 51.4 -62.1 -37.8 25.7 4.8 35.2 81 82 A I H > S+ 0 0 89 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.923 111.3 47.0 -62.8 -45.0 28.8 6.5 33.9 82 83 A L H <>S+ 0 0 5 -4,-2.2 5,-2.6 2,-0.2 4,-0.5 0.939 111.2 50.8 -61.1 -47.8 27.2 7.0 30.5 83 84 A K H ><5S+ 0 0 81 -4,-2.6 3,-1.7 1,-0.2 -2,-0.2 0.931 109.3 52.2 -57.0 -45.1 23.9 8.4 32.0 84 85 A D H 3<5S+ 0 0 142 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.835 108.4 49.9 -61.8 -35.4 25.9 10.8 34.1 85 86 A I T 3<5S- 0 0 81 -4,-1.7 -1,-0.3 -3,-0.2 -2,-0.2 0.428 126.6 -99.1 -85.3 4.1 27.8 12.2 31.1 86 87 A G T < 5S+ 0 0 47 -3,-1.7 2,-0.6 -4,-0.5 -3,-0.2 0.576 80.7 130.8 95.6 11.0 24.5 12.7 29.2 87 88 A V < + 0 0 1 -5,-2.6 -1,-0.3 -6,-0.2 -2,-0.2 -0.891 16.3 160.1-101.1 118.2 24.4 9.5 27.0 88 89 A H + 0 0 82 -2,-0.6 33,-2.7 -27,-0.5 2,-0.3 0.125 52.2 76.6-129.1 21.1 21.1 7.8 27.3 89 90 A W E +de 62 121A 9 -28,-0.6 -26,-2.3 31,-0.2 2,-0.3 -0.968 55.9 177.4-121.7 146.1 21.2 5.7 24.1 90 91 A V E -de 63 122A 0 31,-1.9 33,-2.6 -2,-0.3 2,-0.5 -0.990 26.7-137.8-149.3 140.9 23.2 2.5 23.8 91 92 A I E - e 0 123A 2 -28,-2.2 2,-0.4 -2,-0.3 33,-0.2 -0.844 31.8-175.2 -89.7 129.2 23.7 -0.2 21.1 92 93 A L E + e 0 124A 1 31,-2.6 33,-2.6 -2,-0.5 -27,-0.1 -0.980 54.4 16.6-131.6 143.8 23.7 -3.7 22.7 93 94 A G S S+ 0 0 1 -2,-0.4 5,-0.1 31,-0.2 -1,-0.1 0.697 71.0 177.3 74.3 22.7 24.3 -7.1 21.3 94 95 A H >> - 0 0 7 -30,-0.3 4,-2.3 1,-0.1 3,-1.2 -0.251 41.6-114.2 -54.7 146.6 26.0 -6.0 18.1 95 96 A S H 3> S+ 0 0 16 1,-0.3 4,-2.4 2,-0.2 5,-0.3 0.825 115.7 58.8 -53.7 -38.0 27.1 -9.1 16.1 96 97 A E H 3>>S+ 0 0 50 1,-0.2 4,-2.6 2,-0.2 5,-0.5 0.866 110.0 43.9 -62.2 -34.3 30.8 -8.1 16.5 97 98 A R H <>5S+ 0 0 58 -3,-1.2 6,-2.0 3,-0.2 4,-1.1 0.872 113.3 50.0 -76.3 -36.9 30.3 -8.3 20.3 98 99 A R H <5S+ 0 0 42 -4,-2.3 4,-0.2 4,-0.2 -2,-0.2 0.853 122.5 34.8 -60.9 -37.8 28.3 -11.6 20.1 99 100 A T H <5S+ 0 0 85 -4,-2.4 -2,-0.2 -5,-0.3 -3,-0.2 0.880 132.3 21.6 -90.6 -45.5 31.1 -13.0 17.9 100 101 A Y H <5S+ 0 0 159 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.1 0.756 124.9 44.5 -93.9 -29.8 34.4 -11.6 19.1 101 102 A Y S < - 0 0 76 -2,-1.4 4,-2.9 1,-0.1 5,-0.3 -0.234 44.7 -95.9 -72.3 170.9 25.8 -14.8 24.5 105 106 A D H > S+ 0 0 57 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.893 127.8 51.8 -56.1 -42.1 22.0 -14.3 24.3 106 107 A E H > S+ 0 0 109 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.917 110.5 46.8 -61.4 -45.8 21.9 -14.4 28.1 107 108 A I H > S+ 0 0 73 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.918 114.4 46.8 -63.2 -45.2 24.5 -11.7 28.4 108 109 A V H X S+ 0 0 0 -4,-2.9 4,-2.8 1,-0.2 5,-0.2 0.937 112.5 50.5 -60.4 -48.2 22.9 -9.5 25.8 109 110 A A H X S+ 0 0 1 -4,-2.8 4,-2.4 -5,-0.3 -2,-0.2 0.909 110.7 49.0 -58.1 -43.0 19.5 -10.0 27.4 110 111 A Q H X S+ 0 0 77 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.928 111.6 49.0 -64.1 -43.3 20.8 -9.0 30.8 111 112 A K H X S+ 0 0 25 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.919 111.2 49.6 -61.0 -44.5 22.5 -5.9 29.4 112 113 A V H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.925 111.6 49.2 -60.2 -42.6 19.3 -4.8 27.6 113 114 A S H X S+ 0 0 6 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.927 112.5 47.0 -63.6 -43.6 17.3 -5.3 30.8 114 115 A E H X S+ 0 0 43 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.906 111.6 51.5 -64.3 -40.6 19.8 -3.3 32.9 115 116 A A H <>S+ 0 0 0 -4,-2.7 5,-2.6 1,-0.2 -2,-0.2 0.922 109.6 49.0 -64.8 -41.7 19.9 -0.5 30.4 116 117 A C H ><5S+ 0 0 8 -4,-2.6 3,-1.8 1,-0.2 -1,-0.2 0.927 109.2 52.8 -63.2 -41.8 16.2 -0.2 30.3 117 118 A K H 3<5S+ 0 0 153 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.859 108.5 52.2 -60.0 -33.8 16.1 -0.1 34.1 118 119 A Q T 3<5S- 0 0 47 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.307 124.4-102.9 -88.0 10.1 18.6 2.7 33.9 119 120 A G T < 5 + 0 0 38 -3,-1.8 2,-0.2 1,-0.2 -3,-0.2 0.676 68.8 148.0 83.9 18.1 16.5 4.7 31.5 120 121 A F < - 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0 0 0 -3,-1.4 -19,-0.2 -6,-0.2 3,-0.1 -0.883 44.5-179.4-103.3 122.6 11.2 -1.4 8.1 228 229 A N - 0 0 1 -21,-2.8 -222,-1.9 -2,-0.5 2,-0.3 0.179 55.5 -64.0-111.7 19.1 11.5 1.7 10.4 229 230 A G E -b 6 0A 0 -22,-0.3 -20,-2.5 -224,-0.2 2,-0.3 -0.922 61.8 -66.6 128.7-159.4 15.0 2.9 9.4 230 231 A F E -bh 7 209A 0 -224,-1.8 -222,-2.8 -2,-0.3 2,-0.5 -0.959 4.5-148.0-142.7 146.4 18.6 1.8 9.6 231 232 A L E -bh 8 210A 2 -22,-1.8 -20,-0.6 -2,-0.3 2,-0.5 -0.986 38.3-164.7-112.4 115.1 21.6 0.9 11.6 232 233 A V E +b 9 0A 2 -224,-3.0 -222,-2.9 -2,-0.5 -22,-0.1 -0.915 20.8 169.8-115.9 125.7 24.5 2.0 9.3 233 234 A G S > S+ 0 0 19 -2,-0.5 3,-1.9 -224,-0.2 4,-0.4 0.758 75.0 16.0 -95.3 -95.8 28.2 1.0 9.7 234 235 A G G > S+ 0 0 57 1,-0.3 3,-1.4 2,-0.2 -20,-0.1 0.839 125.5 52.2 -55.6 -41.6 30.5 1.9 6.8 235 236 A A G > S+ 0 0 13 -22,-0.4 3,-1.2 1,-0.3 6,-0.6 0.691 97.9 68.5 -69.5 -17.5 28.3 4.4 5.0 236 237 A S G < S+ 0 0 0 -3,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.587 90.0 61.8 -80.2 -8.6 27.8 6.3 8.3 237 238 A L G < S+ 0 0 62 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.323 103.9 65.6 -86.8 4.2 31.4 7.5 8.2 238 239 A K S X S- 0 0 99 -3,-1.2 3,-2.2 -4,-0.1 4,-0.2 -0.820 97.5-104.6-129.0 163.7 30.7 9.2 5.0 239 240 A P T > S+ 0 0 56 0, 0.0 3,-2.0 0, 0.0 4,-0.4 0.748 107.7 83.8 -63.3 -18.3 28.6 12.2 3.7 240 241 A E T >> + 0 0 66 1,-0.3 4,-1.7 2,-0.2 3,-0.8 0.698 69.0 80.1 -51.1 -25.5 26.2 9.4 2.3 241 242 A F H <> S+ 0 0 0 -3,-2.2 4,-2.4 -6,-0.6 -1,-0.3 0.829 83.3 61.8 -58.9 -32.4 24.7 9.3 5.7 242 243 A R H <> S+ 0 0 97 -3,-2.0 4,-2.2 1,-0.2 -1,-0.3 0.910 103.7 48.6 -55.7 -44.9 22.7 12.4 4.8 243 244 A D H <> S+ 0 0 85 -3,-0.8 4,-1.5 -4,-0.4 -1,-0.2 0.851 108.4 54.0 -61.2 -39.5 21.1 10.4 1.9 244 245 A I H < S+ 0 0 0 -4,-1.7 4,-0.3 2,-0.2 -2,-0.2 0.914 108.6 48.6 -65.0 -44.1 20.2 7.6 4.2 245 246 A I H >< S+ 0 0 0 -4,-2.4 3,-1.9 1,-0.2 -2,-0.2 0.944 110.9 50.8 -56.3 -47.7 18.5 9.9 6.6 246 247 A D H >< S+ 0 0 35 -4,-2.2 3,-1.6 1,-0.3 -1,-0.2 0.784 97.2 68.9 -65.7 -22.9 16.6 11.4 3.7 247 248 A A T 3< S+ 0 0 14 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.545 88.2 66.9 -71.6 -7.8 15.6 7.9 2.6 248 249 A T T < 0 0 3 -3,-1.9 -1,-0.3 -4,-0.3 -2,-0.2 0.279 360.0 360.0 -93.3 9.1 13.4 7.7 5.7 249 250 A R < 0 0 204 -3,-1.6 -1,-0.2 -215,-0.1 -2,-0.1 0.704 360.0 360.0 -70.4 360.0 11.1 10.4 4.4