==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 20-APR-00 1EVY . COMPND 2 MOLECULE: GLYCEROL-3-PHOSPHATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LEISHMANIA MEXICANA; . AUTHOR S.SURESH,S.TURLEY,F.R.OPPERDOES,P.A.M.MICHELS,W.G.J.HOL . 346 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16071.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 248 71.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 9.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 1.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 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 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 139 40.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 3.2 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 4 0 0 2 0 4 3 0 0 0 0 1 0 0 0 0 1 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 3 1 0 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 PARALLEL BRIDGES PER LADDER . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 K 0 0 110 0, 0.0 174,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 105.4 70.5 44.0 20.5 2 10 A D + 0 0 162 2,-0.0 2,-0.4 173,-0.0 0, 0.0 0.364 360.0 119.9 -84.6 6.5 68.2 41.5 18.8 3 11 A E - 0 0 140 1,-0.1 172,-0.0 0, 0.0 0, 0.0 -0.543 65.1-125.1 -75.6 123.7 67.9 39.8 22.1 4 12 A L - 0 0 42 -2,-0.4 2,-0.4 1,-0.1 172,-0.2 -0.166 15.5-134.5 -64.8 168.1 64.4 39.7 23.5 5 13 A L - 0 0 32 170,-2.8 2,-0.3 173,-0.2 -1,-0.1 -0.993 14.3-161.5-127.8 132.6 63.4 41.0 26.9 6 14 A Y - 0 0 141 -2,-0.4 2,-0.3 24,-0.0 24,-0.2 -0.848 11.3-166.3-109.7 149.6 61.2 39.1 29.3 7 15 A L E -a 30 0A 12 22,-2.2 24,-2.5 -2,-0.3 25,-0.2 -0.816 28.5-129.0-131.7 171.4 59.4 40.7 32.2 8 16 A N E S+ 0 0 96 1,-0.3 24,-2.9 -2,-0.3 2,-0.4 0.879 87.5 11.6 -84.4 -43.3 57.6 39.9 35.4 9 17 A K E +a 32 0A 15 68,-0.2 70,-2.9 22,-0.2 2,-0.3 -0.991 51.8 173.0-145.8 153.8 54.5 41.9 34.9 10 18 A A E -a 33 0A 0 22,-1.2 24,-2.7 -2,-0.4 2,-0.4 -0.967 14.8-156.2-146.5 147.6 52.6 43.9 32.4 11 19 A V E -ab 34 81A 0 69,-2.2 71,-2.3 -2,-0.3 2,-0.5 -0.980 2.8-156.0-131.0 151.9 49.3 45.5 32.5 12 20 A V E -ab 35 82A 0 22,-2.8 24,-2.0 -2,-0.4 2,-0.9 -0.977 5.8-154.9-124.9 115.9 46.9 46.5 29.9 13 21 A F E S+ab 36 83A 0 69,-3.3 71,-3.2 -2,-0.5 72,-0.5 -0.765 72.6 51.3 -90.2 109.1 44.3 49.2 30.5 14 22 A G - 0 0 7 22,-1.3 71,-0.1 -2,-0.9 23,-0.1 -0.048 60.9-155.5 128.5 119.9 41.5 48.4 28.1 15 23 A S + 0 0 14 4,-0.1 40,-0.2 -2,-0.1 39,-0.1 0.021 51.2 116.4-113.0 23.8 39.8 45.0 27.7 16 24 A G S > S- 0 0 26 68,-0.2 4,-3.1 38,-0.1 5,-0.3 -0.219 85.4 -75.9 -82.2-172.0 38.4 45.1 24.2 17 25 A A H > S+ 0 0 36 1,-0.2 4,-3.3 2,-0.2 5,-0.2 0.905 129.8 42.3 -49.0 -51.6 39.5 42.7 21.4 18 26 A F H > S+ 0 0 37 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.923 114.3 50.4 -67.7 -41.4 42.8 44.3 20.6 19 27 A G H > S+ 0 0 0 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.955 114.1 45.9 -61.7 -47.2 43.8 44.9 24.2 20 28 A T H X S+ 0 0 0 -4,-3.1 4,-2.5 1,-0.2 3,-0.3 0.945 111.5 51.7 -60.3 -42.4 43.0 41.3 25.0 21 29 A A H X S+ 0 0 0 -4,-3.3 4,-1.8 -5,-0.3 -1,-0.2 0.912 109.6 51.0 -60.3 -39.3 44.9 40.1 21.9 22 30 A L H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 -1,-0.3 0.805 104.8 55.3 -66.9 -26.5 47.8 42.1 23.1 23 31 A A H X S+ 0 0 0 -4,-1.7 4,-3.7 -3,-0.3 -2,-0.2 0.929 105.0 55.1 -67.9 -42.0 47.6 40.5 26.5 24 32 A M H < S+ 0 0 25 -4,-2.5 4,-0.3 1,-0.2 -2,-0.2 0.932 108.8 47.3 -56.0 -45.4 47.9 37.2 24.7 25 33 A V H >< S+ 0 0 2 -4,-1.8 3,-1.4 1,-0.2 -1,-0.2 0.921 114.3 46.1 -61.3 -47.9 51.0 38.4 23.1 26 34 A L H >X S+ 0 0 0 -4,-2.6 3,-2.9 1,-0.3 4,-1.8 0.853 94.6 75.2 -67.9 -30.2 52.4 39.7 26.4 27 35 A S T 3< S+ 0 0 16 -4,-3.7 -1,-0.3 1,-0.3 -2,-0.2 0.711 96.7 52.2 -56.0 -11.4 51.5 36.5 28.2 28 36 A K T <4 S+ 0 0 88 -3,-1.4 -1,-0.3 -4,-0.3 152,-0.2 0.391 116.8 34.4-102.4 0.3 54.5 35.0 26.4 29 37 A K T <4 S+ 0 0 3 -3,-2.9 -22,-2.2 1,-0.2 2,-0.4 0.485 115.5 57.6-128.4 -7.5 57.0 37.5 27.3 30 38 A C E < -a 7 0A 5 -4,-1.8 -22,-0.2 -24,-0.2 -1,-0.2 -0.996 69.1-140.3-128.9 128.3 55.8 38.3 30.8 31 39 A R E S+ 0 0 191 -24,-2.5 2,-0.4 -2,-0.4 -22,-0.2 0.934 92.0 22.6 -54.3 -43.8 55.2 36.1 33.8 32 40 A E E -a 9 0A 86 -24,-2.9 -22,-1.2 -25,-0.2 2,-0.4 -0.953 65.6-173.6-129.9 149.0 52.1 37.8 34.7 33 41 A V E -ac 10 65A 0 31,-2.1 33,-2.8 -2,-0.4 2,-0.5 -0.958 4.2-165.3-140.1 126.1 49.7 40.0 32.9 34 42 A C E -ac 11 66A 10 -24,-2.7 -22,-2.8 -2,-0.4 2,-0.5 -0.888 5.2-160.0-111.8 150.6 46.8 42.0 34.1 35 43 A V E -ac 12 67A 0 31,-1.7 33,-2.1 -2,-0.5 2,-0.3 -0.969 16.2-140.7-123.0 114.0 44.1 43.4 32.1 36 44 A W E +ac 13 68A 32 -24,-2.0 -22,-1.3 -2,-0.5 2,-0.4 -0.536 25.7 169.9 -77.0 128.1 42.0 46.3 33.7 37 45 A H - 0 0 10 31,-2.2 6,-0.2 -2,-0.3 -2,-0.0 -0.960 31.1-137.6-141.4 120.9 38.3 46.3 33.0 38 46 A M S S+ 0 0 140 -2,-0.4 2,-0.7 1,-0.1 -1,-0.1 0.818 82.8 74.2 -47.0 -51.4 35.8 48.7 34.9 39 47 A N > - 0 0 50 1,-0.2 4,-3.6 2,-0.1 3,-0.3 -0.588 59.7-167.7 -77.5 112.2 32.9 46.2 35.7 40 48 A E H > S+ 0 0 66 -2,-0.7 4,-1.8 1,-0.3 5,-0.2 0.906 90.4 56.8 -61.2 -44.1 33.8 43.8 38.5 41 49 A E H > S+ 0 0 145 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.940 111.5 42.8 -56.6 -39.5 31.0 41.7 37.8 42 50 A E H > S+ 0 0 63 -3,-0.3 4,-2.7 1,-0.2 5,-0.3 0.874 105.8 62.0 -70.5 -41.8 32.3 41.3 34.2 43 51 A V H X S+ 0 0 3 -4,-3.6 4,-1.6 1,-0.2 -1,-0.2 0.820 107.9 47.8 -52.6 -29.7 35.8 40.9 35.4 44 52 A R H X S+ 0 0 157 -4,-1.8 4,-2.5 -5,-0.2 -2,-0.2 0.945 106.7 50.3 -74.8 -55.2 34.4 37.8 37.1 45 53 A L H X S+ 0 0 60 -4,-1.6 4,-2.5 1,-0.2 6,-0.2 0.908 114.1 48.1 -50.3 -48.1 32.5 36.3 34.4 46 54 A V H X>S+ 0 0 0 -4,-2.7 4,-1.6 1,-0.2 5,-1.1 0.940 111.3 46.8 -63.9 -50.0 35.5 36.5 32.2 47 55 A N H <5S+ 0 0 45 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.829 112.0 53.2 -65.2 -25.3 38.0 35.2 34.6 48 56 A E H <5S+ 0 0 131 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.987 111.7 44.4 -68.4 -56.5 35.7 32.3 35.4 49 57 A K H <5S- 0 0 120 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.622 99.0-134.9 -58.9 -18.5 35.3 31.4 31.8 50 58 A R T <5S+ 0 0 55 -4,-1.6 11,-3.7 1,-0.2 2,-0.3 0.726 81.3 84.7 65.2 19.1 39.1 31.8 31.0 51 59 A E B + 0 0 0 7,-0.5 4,-2.5 4,-0.4 7,-0.2 -0.601 37.1 173.0 -80.9 88.7 36.9 37.3 27.2 53 61 A V T 4 S+ 0 0 31 -2,-1.7 4,-0.2 1,-0.2 -1,-0.2 0.549 71.1 61.2 -75.6 -5.2 33.3 36.6 26.2 54 62 A L T 4 S- 0 0 46 -3,-0.1 -1,-0.2 -39,-0.1 3,-0.1 0.939 128.1 -3.6 -83.9 -49.4 32.6 40.2 26.0 55 63 A F T 4 S+ 0 0 100 -40,-0.2 -2,-0.2 1,-0.1 -38,-0.2 0.413 134.6 39.8-124.7 -3.9 35.1 41.2 23.3 56 64 A L S >< S- 0 0 11 -4,-2.5 3,-1.4 3,-0.1 -4,-0.4 -0.260 74.1-178.2-142.5 52.3 37.2 38.4 22.2 57 65 A K T 3 + 0 0 142 1,-0.2 -4,-0.1 -4,-0.2 3,-0.1 -0.217 64.9 27.4 -57.5 143.8 34.9 35.4 22.1 58 66 A G T 3 S+ 0 0 66 1,-0.2 2,-0.7 0, 0.0 -1,-0.2 0.222 92.4 109.1 89.1 -12.5 36.3 32.0 21.2 59 67 A V < - 0 0 9 -3,-1.4 -7,-0.5 -7,-0.2 2,-0.5 -0.807 61.2-144.0-101.7 122.7 39.8 32.7 22.4 60 68 A Q B -H 51 0B 140 -2,-0.7 -9,-0.3 -9,-0.1 2,-0.1 -0.690 24.3-123.4 -84.1 130.8 40.8 30.9 25.5 61 69 A L - 0 0 3 -11,-3.7 -1,-0.1 -2,-0.5 4,-0.0 -0.370 22.6-102.7 -73.9 149.9 43.0 33.0 27.6 62 70 A A > - 0 0 24 1,-0.1 3,-1.6 -2,-0.1 -1,-0.1 -0.360 31.8-119.3 -64.4 150.2 46.4 32.1 28.7 63 71 A S T 3 S+ 0 0 108 1,-0.3 -1,-0.1 -3,-0.1 -2,-0.1 0.769 111.2 61.6 -60.1 -34.2 46.5 31.0 32.3 64 72 A N T 3 S+ 0 0 44 -37,-0.1 -31,-2.1 -32,-0.1 2,-0.6 0.259 86.1 94.1 -80.3 15.1 48.8 33.9 33.2 65 73 A I E < -c 33 0A 0 -3,-1.6 2,-0.4 -33,-0.2 -31,-0.2 -0.905 52.2-179.9-108.7 128.8 46.3 36.5 32.2 66 74 A T E -c 34 0A 60 -33,-2.8 -31,-1.7 -2,-0.6 2,-0.3 -0.971 18.7-144.4-137.3 131.2 44.0 38.0 34.8 67 75 A F E +c 35 0A 4 -2,-0.4 2,-0.3 -24,-0.2 -31,-0.2 -0.563 24.5 177.5 -81.9 140.7 41.3 40.6 34.5 68 76 A T E -c 36 0A 21 -33,-2.1 -31,-2.2 -2,-0.3 -29,-0.1 -0.998 34.8-151.1-147.2 144.2 40.8 43.0 37.3 69 77 A S S S+ 0 0 34 -2,-0.3 2,-0.8 -33,-0.2 -29,-0.1 0.415 75.0 95.7 -91.0 4.7 38.6 45.9 38.1 70 78 A D > - 0 0 53 1,-0.2 4,-4.0 -30,-0.0 3,-0.2 -0.770 56.6-163.2-106.6 108.2 41.2 47.5 40.4 71 79 A V H > S+ 0 0 14 -2,-0.8 4,-2.8 1,-0.2 5,-0.2 0.847 89.3 46.0 -47.1 -49.2 43.5 50.1 38.9 72 80 A E H > S+ 0 0 71 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.877 115.9 43.3 -67.2 -41.6 46.1 49.9 41.5 73 81 A K H 4 S+ 0 0 139 -3,-0.2 3,-0.5 2,-0.2 -2,-0.2 0.947 110.9 60.4 -67.9 -45.9 46.3 46.3 41.7 74 82 A A H < S+ 0 0 0 -4,-4.0 -2,-0.2 1,-0.3 -40,-0.2 0.958 117.6 26.8 -47.4 -54.7 46.2 46.3 38.0 75 83 A Y H >< S+ 0 0 17 -4,-2.8 3,-2.5 -5,-0.2 -1,-0.3 0.676 86.8 124.0 -90.8 -6.5 49.3 48.3 37.6 76 84 A N T 3< S- 0 0 110 -4,-1.3 -3,-0.0 -3,-0.5 -4,-0.0 -0.268 90.5 -1.9 -52.1 118.6 51.0 47.5 40.7 77 85 A G T 3 S+ 0 0 37 1,-0.2 -1,-0.3 -2,-0.2 -68,-0.2 0.447 91.1 152.0 83.8 -7.3 54.5 46.1 39.8 78 86 A A < - 0 0 1 -3,-2.5 -68,-0.2 1,-0.1 -1,-0.2 -0.293 32.9-164.8 -61.6 139.9 53.9 46.3 36.0 79 87 A E S S+ 0 0 72 -70,-2.9 2,-0.3 1,-0.3 -69,-0.2 0.367 80.2 29.5-105.1 3.4 57.2 46.8 34.0 80 88 A I S S- 0 0 0 -71,-0.3 -69,-2.2 30,-0.2 2,-0.4 -0.950 71.5-157.6-156.7 137.8 55.2 47.9 30.8 81 89 A I E -bd 11 112A 0 30,-2.4 32,-3.5 -2,-0.3 2,-0.4 -0.980 4.8-164.2-124.6 134.2 51.9 49.6 30.6 82 90 A L E -bd 12 113A 0 -71,-2.3 -69,-3.3 -2,-0.4 2,-0.5 -0.942 5.5-154.7-117.1 136.9 49.5 49.5 27.6 83 91 A F E +bd 13 114A 1 30,-2.4 32,-2.6 -2,-0.4 33,-0.5 -0.921 29.9 151.1-111.2 130.7 46.6 51.8 27.0 84 92 A V + 0 0 23 -71,-3.2 -68,-0.2 -2,-0.5 -70,-0.2 0.071 28.8 136.6-137.1 14.8 43.8 50.6 24.9 85 93 A I - 0 0 9 -72,-0.5 5,-0.1 -71,-0.1 -71,-0.1 -0.487 66.3 -95.0 -68.1 140.6 41.1 52.7 26.5 86 94 A P >> - 0 0 58 0, 0.0 3,-2.0 0, 0.0 4,-1.0 -0.185 32.2-114.4 -57.9 146.1 38.8 54.2 23.9 87 95 A T H >> S+ 0 0 8 30,-0.4 3,-0.7 1,-0.3 4,-0.6 0.840 113.2 56.0 -47.3 -50.1 39.6 57.7 22.9 88 96 A Q H 34 S+ 0 0 122 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.667 114.7 37.6 -62.5 -20.3 36.5 59.1 24.3 89 97 A F H <> S+ 0 0 119 -3,-2.0 4,-2.3 2,-0.1 -1,-0.2 0.398 93.2 93.8-110.2 -1.7 37.1 57.7 27.9 90 98 A L H S+ 0 0 35 -4,-0.2 4,-3.1 1,-0.2 5,-0.4 0.931 104.2 54.1 -50.7 -47.2 38.3 60.8 32.0 93 101 A F H X>S+ 0 0 13 -4,-2.3 4,-2.7 1,-0.2 5,-0.7 0.951 109.8 44.3 -57.4 -50.3 40.3 57.8 33.1 94 102 A F H X5S+ 0 0 4 -4,-1.7 4,-0.9 3,-0.2 -1,-0.2 0.903 116.0 50.2 -64.1 -33.6 43.4 59.7 33.9 95 103 A E H <5S+ 0 0 129 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.950 122.6 27.1 -67.1 -52.0 41.4 62.4 35.6 96 104 A K H <5S+ 0 0 183 -4,-3.1 -2,-0.2 -5,-0.2 -3,-0.2 0.765 138.7 12.8 -83.8 -30.1 39.4 60.2 37.8 97 105 A S H <5S+ 0 0 35 -4,-2.7 4,-0.4 -5,-0.4 -3,-0.2 0.430 104.8 75.0-134.2 4.8 41.6 57.1 38.3 98 106 A G X< + 0 0 0 -4,-0.9 4,-3.1 -5,-0.7 5,-0.3 0.378 58.2 102.6-106.3 11.4 45.1 57.6 37.2 99 107 A G H > S+ 0 0 51 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.934 92.7 35.3 -58.0 -43.0 46.6 59.8 39.8 100 108 A N H > S+ 0 0 102 2,-0.2 4,-3.4 -3,-0.2 -1,-0.2 0.957 116.1 55.2 -72.8 -44.6 48.5 57.0 41.5 101 109 A L H > S+ 0 0 1 -4,-0.4 4,-3.4 1,-0.2 5,-0.4 0.955 109.0 48.3 -49.3 -50.9 49.3 55.1 38.3 102 110 A I H X S+ 0 0 20 -4,-3.1 4,-2.7 1,-0.2 5,-0.3 0.929 110.0 51.8 -59.1 -43.2 50.9 58.3 36.8 103 111 A A H X S+ 0 0 54 -4,-1.6 4,-3.5 -5,-0.3 -1,-0.2 0.937 112.5 46.7 -59.5 -43.5 52.9 58.7 39.9 104 112 A Y H X S+ 0 0 30 -4,-3.4 4,-3.5 2,-0.2 5,-0.4 0.977 111.9 48.8 -60.8 -55.6 54.1 55.2 39.6 105 113 A A H X>S+ 0 0 0 -4,-3.4 5,-0.9 1,-0.3 4,-0.8 0.927 117.6 42.1 -52.3 -46.6 54.9 55.3 35.9 106 114 A K H <5S+ 0 0 111 -4,-2.7 -1,-0.3 -5,-0.4 -2,-0.2 0.948 116.3 47.7 -69.2 -42.7 56.7 58.4 36.4 107 115 A E H <5S+ 0 0 140 -4,-3.5 -2,-0.2 -5,-0.3 -3,-0.2 0.991 124.8 31.2 -58.5 -55.8 58.5 57.2 39.7 108 116 A K H <5S- 0 0 129 -4,-3.5 -1,-0.2 -5,-0.2 -2,-0.2 0.428 103.8-129.2 -81.3 -2.6 59.5 53.9 38.3 109 117 A Q T <5 - 0 0 129 -4,-0.8 -3,-0.2 -5,-0.4 -4,-0.2 0.901 36.9-174.5 57.9 35.6 59.9 55.3 34.8 110 118 A V < - 0 0 6 -5,-0.9 -1,-0.2 -6,-0.3 -30,-0.2 -0.622 27.7-116.1 -69.1 124.2 57.6 52.4 33.4 111 119 A P - 0 0 24 0, 0.0 -30,-2.4 0, 0.0 2,-0.4 -0.283 30.3-149.0 -61.0 137.2 57.5 52.4 29.4 112 120 A V E -de 81 140A 0 27,-2.7 29,-1.4 -32,-0.2 2,-0.6 -0.928 5.3-155.1-113.2 135.5 53.9 53.1 28.2 113 121 A L E -de 82 141A 0 -32,-3.5 -30,-2.4 -2,-0.4 2,-0.6 -0.938 7.4-149.3-118.7 113.3 52.5 51.7 25.0 114 122 A V E +de 83 142A 0 27,-3.6 29,-2.4 -2,-0.6 -30,-0.1 -0.737 31.2 155.6 -87.9 125.7 49.8 53.6 23.4 115 123 A C + 0 0 3 -32,-2.6 -31,-0.2 -2,-0.6 2,-0.2 0.297 39.8 110.3-122.7 -4.0 47.4 51.3 21.4 116 124 A T - 0 0 8 -33,-0.5 2,-0.3 -30,-0.1 12,-0.2 -0.522 50.5-164.1 -75.1 144.5 44.2 53.5 21.5 117 125 A K + 0 0 40 -2,-0.2 -30,-0.4 -33,-0.1 2,-0.3 -0.995 36.0 68.2-135.1 139.6 43.3 55.1 18.1 118 126 A G S S- 0 0 1 -2,-0.3 2,-0.4 78,-0.3 82,-0.1 -0.919 71.7 -83.3 146.7-173.7 41.0 58.0 17.3 119 127 A I - 0 0 10 -2,-0.3 2,-0.3 7,-0.2 7,-0.2 -0.997 36.0-124.2-131.5 128.0 40.6 61.7 17.7 120 128 A E > - 0 0 15 5,-3.0 4,-2.7 -2,-0.4 5,-0.4 -0.534 18.6-142.8 -72.0 129.7 39.2 63.3 20.8 121 129 A R T 4 S+ 0 0 111 -2,-0.3 -1,-0.1 1,-0.2 -33,-0.0 0.834 91.9 50.2 -66.2 -30.5 36.3 65.5 19.9 122 130 A S T 4 S+ 0 0 100 1,-0.2 -1,-0.2 3,-0.1 -2,-0.0 0.848 127.6 17.8 -79.7 -31.7 36.9 68.2 22.3 123 131 A T T 4 S- 0 0 55 -3,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.500 90.2-128.8-113.4 -7.7 40.5 69.0 21.6 124 132 A L < + 0 0 17 -4,-2.7 2,-0.3 1,-0.2 -3,-0.1 0.839 63.4 141.2 60.4 29.8 41.0 67.3 18.1 125 133 A K - 0 0 65 -5,-0.4 -5,-3.0 2,-0.0 -1,-0.2 -0.764 51.0-122.9-104.2 153.6 44.0 65.6 19.7 126 134 A F >> - 0 0 2 -2,-0.3 4,-2.1 -7,-0.2 3,-0.7 -0.536 35.0 -96.2 -91.4 164.5 45.2 61.9 19.1 127 135 A P H 3> S+ 0 0 0 0, 0.0 4,-3.0 0, 0.0 5,-0.3 0.877 120.1 45.0 -49.7 -56.4 45.6 59.3 21.9 128 136 A A H 3> S+ 0 0 12 1,-0.2 4,-1.9 -12,-0.2 5,-0.1 0.813 111.9 55.2 -63.4 -27.3 49.2 59.5 22.7 129 137 A E H <4 S+ 0 0 71 -3,-0.7 4,-0.3 2,-0.2 -1,-0.2 0.884 110.0 45.8 -69.9 -40.1 49.0 63.2 22.6 130 138 A I H >< S+ 0 0 0 -4,-2.1 3,-1.8 1,-0.2 4,-0.4 0.957 113.9 48.4 -65.8 -46.1 46.2 63.1 25.3 131 139 A I H >X S+ 0 0 0 -4,-3.0 4,-3.1 1,-0.3 3,-2.0 0.880 103.1 63.8 -58.6 -38.4 48.2 60.6 27.4 132 140 A G T 3< S+ 0 0 27 -4,-1.9 -1,-0.3 1,-0.3 5,-0.2 0.601 89.8 66.0 -62.0 -12.2 51.2 62.9 27.0 133 141 A E T <4 S+ 0 0 91 -3,-1.8 -1,-0.3 -4,-0.3 -2,-0.2 0.700 117.1 27.4 -82.0 -16.1 49.3 65.6 28.9 134 142 A F T <4 S+ 0 0 46 -3,-2.0 -2,-0.2 -4,-0.4 -3,-0.1 0.724 124.4 42.1-111.1 -40.1 49.6 63.2 31.9 135 143 A L S < S- 0 0 3 -4,-3.1 -1,-0.2 -30,-0.0 2,-0.2 -0.857 92.3 -96.1-113.6 149.5 52.7 61.1 31.2 136 144 A P > - 0 0 48 0, 0.0 3,-2.7 0, 0.0 4,-0.2 -0.423 29.5-123.8 -66.2 131.5 56.1 62.3 30.0 137 145 A S G > S+ 0 0 85 1,-0.3 3,-2.3 -5,-0.2 28,-0.2 0.754 106.9 64.2 -39.5 -39.0 56.7 61.9 26.2 138 146 A P G 3 S+ 0 0 95 0, 0.0 -1,-0.3 0, 0.0 28,-0.0 0.732 99.6 51.3 -65.3 -23.4 59.9 59.9 26.8 139 147 A L G < S+ 0 0 9 -3,-2.7 -27,-2.7 -28,-0.1 2,-0.4 0.454 97.9 103.6 -87.4 -3.7 57.9 57.2 28.4 140 148 A L E < +e 112 0A 16 -3,-2.3 2,-0.3 -4,-0.2 25,-0.3 -0.772 36.4 155.2 -98.7 129.4 55.6 57.3 25.2 141 149 A S E -e 113 0A 1 -29,-1.4 -27,-3.6 -2,-0.4 2,-0.4 -0.930 27.0-140.1-136.1 160.2 55.5 54.9 22.3 142 150 A V E -eF 114 163A 5 21,-2.9 21,-3.1 -2,-0.3 2,-0.5 -0.959 5.8-152.3-125.3 140.7 52.8 54.0 19.8 143 151 A L E + F 0 162A 0 -29,-2.4 2,-0.3 -2,-0.4 19,-0.2 -0.938 30.3 150.2-111.2 124.0 52.0 50.5 18.5 144 152 A A E + F 0 161A 0 17,-2.8 17,-3.5 -2,-0.5 107,-0.2 -0.992 8.4 104.8-156.3 147.8 50.4 50.3 15.0 145 153 A G S S- 0 0 0 -2,-0.3 2,-1.1 15,-0.3 15,-0.2 -0.926 76.1 -47.2 162.5 176.7 50.3 48.0 12.0 146 154 A P S S+ 0 0 31 0, 0.0 13,-0.5 0, 0.0 2,-0.1 -0.649 73.5 146.1 -75.6 103.6 48.1 45.5 10.2 147 155 A S - 0 0 16 -2,-1.1 11,-0.1 11,-0.1 5,-0.1 -0.521 33.4-165.4-150.4 76.2 46.8 43.4 13.1 148 156 A F > - 0 0 73 1,-0.1 4,-2.1 -2,-0.1 5,-0.2 -0.334 30.0-128.6 -57.5 132.3 43.4 41.9 13.2 149 157 A A H > S+ 0 0 19 1,-0.2 4,-4.0 2,-0.2 5,-0.2 0.893 101.0 56.1 -58.4 -42.0 42.9 40.9 16.9 150 158 A I H > S+ 0 0 87 1,-0.3 4,-2.4 2,-0.2 6,-0.2 0.936 110.4 44.7 -61.3 -38.6 41.9 37.4 16.4 151 159 A E H 4>S+ 0 0 80 2,-0.2 5,-2.4 1,-0.2 4,-0.3 0.903 114.7 47.0 -72.0 -39.4 44.9 36.6 14.5 152 160 A V H ><5S+ 0 0 5 -4,-2.1 3,-1.3 3,-0.2 -2,-0.2 0.943 112.8 52.5 -62.9 -43.1 47.2 38.4 16.9 153 161 A A H 3<5S+ 0 0 4 -4,-4.0 -2,-0.2 1,-0.3 -3,-0.2 0.884 110.5 46.3 -59.6 -39.4 45.4 36.6 19.8 154 162 A T T 3<5S- 0 0 79 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.357 117.1-109.9 -87.3 7.3 45.8 33.1 18.2 155 163 A G T < 5 + 0 0 22 -3,-1.3 2,-0.3 -4,-0.3 -3,-0.2 0.690 60.8 158.7 78.3 13.9 49.5 33.7 17.4 156 164 A V < - 0 0 74 -5,-2.4 -1,-0.2 -6,-0.2 -2,-0.1 -0.629 59.2 -76.8 -77.2 135.3 49.1 33.9 13.6 157 165 A F + 0 0 128 -2,-0.3 2,-0.3 27,-0.1 27,-0.2 0.024 64.8 167.8 -38.8 119.8 52.1 35.8 11.9 158 166 A T E - g 0 184A 6 25,-1.7 27,-2.4 -3,-0.1 2,-0.4 -0.994 22.6-159.4-143.0 141.1 51.8 39.5 12.4 159 167 A C E + g 0 185A 25 -13,-0.5 2,-0.3 -2,-0.3 27,-0.2 -0.971 17.9 168.9-125.0 140.2 54.1 42.5 11.9 160 168 A V E - g 0 186A 0 25,-2.1 27,-2.1 -2,-0.4 2,-0.4 -0.894 27.2-125.1-140.2 166.2 53.6 45.9 13.6 161 169 A S E -Fg 144 187A 8 -17,-3.5 -17,-2.8 -2,-0.3 2,-0.5 -0.906 12.0-153.8-115.3 152.9 55.5 48.9 14.0 162 170 A I E -Fg 143 188A 0 25,-3.1 27,-2.1 -2,-0.4 2,-0.4 -0.993 17.9-158.5-124.9 124.3 56.4 50.6 17.3 163 171 A A E +Fg 142 189A 0 -21,-3.1 -21,-2.9 -2,-0.5 2,-0.3 -0.904 22.3 155.0-115.7 138.2 57.0 54.4 17.2 164 172 A S - 0 0 3 25,-2.0 6,-0.1 -2,-0.4 -23,-0.1 -0.975 45.5-127.5-152.4 133.9 58.8 56.8 19.5 165 173 A A S S+ 0 0 89 -2,-0.3 2,-1.0 -25,-0.3 3,-0.1 0.915 111.8 58.1 -49.4 -41.1 60.4 60.2 18.7 166 174 A D S >> S- 0 0 86 1,-0.2 3,-1.8 -3,-0.1 4,-1.4 -0.814 83.5-156.1 -91.5 103.6 63.4 58.7 20.4 167 175 A I H 3> S+ 0 0 36 -2,-1.0 4,-2.8 1,-0.3 5,-0.2 0.824 89.3 67.2 -49.7 -30.4 64.0 55.6 18.2 168 176 A N H 3> S+ 0 0 99 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.866 97.3 48.7 -65.0 -34.1 65.8 54.1 21.2 169 177 A V H <> S+ 0 0 28 -3,-1.8 4,-2.3 2,-0.2 5,-0.3 0.928 111.3 52.0 -69.5 -41.8 62.6 53.8 23.3 170 178 A A H X S+ 0 0 0 -4,-1.4 4,-2.1 1,-0.2 -2,-0.2 0.931 107.3 53.0 -57.1 -47.5 60.9 52.2 20.3 171 179 A R H X S+ 0 0 121 -4,-2.8 4,-1.4 1,-0.2 -1,-0.2 0.878 109.1 49.1 -58.2 -36.5 63.8 49.7 20.1 172 180 A R H >X S+ 0 0 136 -4,-1.6 4,-1.1 2,-0.2 3,-0.6 0.953 110.8 47.3 -68.6 -50.0 63.4 48.7 23.7 173 181 A L H 3X S+ 0 0 1 -4,-2.3 4,-3.3 1,-0.3 3,-0.4 0.872 106.3 62.8 -57.7 -31.1 59.7 48.2 23.5 174 182 A Q H 3X S+ 0 0 50 -4,-2.1 4,-1.7 -5,-0.3 -1,-0.3 0.915 100.6 50.5 -58.0 -45.8 60.5 46.2 20.4 175 183 A R H << S+ 0 0 49 -4,-1.4 -170,-2.8 -3,-0.6 -1,-0.2 0.705 116.0 43.2 -68.3 -19.5 62.5 43.7 22.5 176 184 A I H < S+ 0 0 1 -4,-1.1 -2,-0.2 -3,-0.4 -1,-0.2 0.881 115.1 43.0 -93.2 -48.2 59.6 43.4 24.8 177 185 A M H < S+ 0 0 0 -4,-3.3 2,-0.3 -5,-0.2 -2,-0.2 0.781 93.8 93.9 -70.3 -25.6 56.6 43.1 22.5 178 186 A S S < S- 0 0 7 -4,-1.7 -173,-0.2 -5,-0.3 7,-0.2 -0.531 75.2-123.4 -73.9 131.7 58.4 40.7 20.0 179 187 A T > - 0 0 1 5,-1.8 3,-1.6 -2,-0.3 -1,-0.1 -0.275 8.0-127.5 -80.8 155.2 57.7 37.0 20.5 180 188 A G T 3 S+ 0 0 50 1,-0.3 -1,-0.1 -152,-0.2 -2,-0.0 0.801 112.3 52.4 -65.8 -28.2 60.1 34.2 21.0 181 189 A D T 3 S- 0 0 102 3,-0.0 -1,-0.3 1,-0.0 -2,-0.0 0.374 110.8-120.0 -89.0 10.0 58.5 32.2 18.2 182 190 A R S < S+ 0 0 150 -3,-1.6 3,-0.2 2,-0.2 -2,-0.1 0.804 80.8 122.7 57.3 29.5 58.8 35.2 15.8 183 191 A S S S+ 0 0 12 1,-0.3 -25,-1.7 -26,-0.1 2,-0.4 0.561 72.7 42.5 -92.8 -17.4 55.0 35.1 15.4 184 192 A F E S-g 158 0A 5 -27,-0.2 -5,-1.8 -5,-0.1 2,-0.4 -0.959 79.7-175.1-132.9 104.1 54.7 38.8 16.5 185 193 A V E -g 159 0A 10 -27,-2.4 -25,-2.1 -2,-0.4 2,-0.3 -0.949 6.1-160.0-112.4 126.3 57.4 40.9 14.9 186 194 A C E -g 160 0A 4 -2,-0.4 2,-0.4 -27,-0.2 -25,-0.2 -0.854 3.1-161.0-109.1 142.0 58.0 44.6 15.7 187 195 A W E -g 161 0A 137 -27,-2.1 -25,-3.1 -2,-0.3 2,-0.3 -0.964 20.8-125.0-123.2 139.2 59.8 47.1 13.6 188 196 A A E +g 162 0A 34 -2,-0.4 2,-0.3 -27,-0.2 -25,-0.2 -0.631 34.9 160.9 -85.1 143.0 61.0 50.4 15.1 189 197 A T E -g 163 0A 22 -27,-2.1 -25,-2.0 -2,-0.3 -19,-0.1 -0.984 37.9-141.5-148.6 162.2 60.1 53.9 13.7 190 198 A T S S+ 0 0 46 -2,-0.3 2,-2.5 -27,-0.2 3,-0.3 0.624 71.2 105.0 -98.8 -11.0 60.2 57.4 14.9 191 199 A D > + 0 0 2 1,-0.2 4,-2.2 2,-0.1 5,-0.2 -0.231 29.7 153.7 -75.6 68.2 57.0 58.5 13.3 192 200 A T H > S+ 0 0 37 -2,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.879 74.7 50.3 -59.5 -38.5 54.4 58.7 16.1 193 201 A V H > S+ 0 0 30 -3,-0.3 4,-3.0 2,-0.2 5,-0.3 0.969 108.2 51.6 -68.3 -44.7 52.3 61.3 14.4 194 202 A G H > S+ 0 0 0 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.918 110.0 51.1 -56.8 -40.7 52.1 59.4 11.2 195 203 A C H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.940 112.5 45.3 -61.6 -43.5 51.0 56.3 13.1 196 204 A E H X S+ 0 0 14 -4,-2.5 4,-1.5 -5,-0.2 -78,-0.3 0.936 112.7 49.4 -70.1 -38.5 48.3 58.1 14.9 197 205 A V H >X S+ 0 0 0 -4,-3.0 4,-3.3 1,-0.2 3,-0.6 0.971 114.0 46.1 -60.8 -50.1 47.0 59.9 11.9 198 206 A A H 3X S+ 0 0 1 -4,-3.0 4,-2.6 -5,-0.3 -1,-0.2 0.914 108.5 56.8 -57.9 -41.2 46.8 56.7 9.9 199 207 A S H 3< S+ 0 0 1 -4,-2.6 -1,-0.2 -5,-0.3 4,-0.2 0.789 116.3 35.7 -60.8 -32.2 45.2 54.8 12.8 200 208 A A H XX S+ 0 0 0 -4,-1.5 3,-1.1 -3,-0.6 4,-0.8 0.884 116.1 50.7 -86.8 -46.5 42.4 57.2 12.9 201 209 A V H >X S+ 0 0 0 -4,-3.3 4,-3.0 1,-0.3 3,-0.8 0.891 97.2 70.1 -60.3 -38.4 42.0 58.0 9.1 202 210 A K H 3X S+ 0 0 24 -4,-2.6 4,-2.0 -5,-0.4 -1,-0.3 0.813 95.4 54.3 -51.3 -30.8 41.9 54.4 8.1 203 211 A N H <> S+ 0 0 17 -3,-1.1 4,-0.8 -4,-0.2 88,-0.3 0.880 108.7 46.6 -72.4 -38.5 38.5 54.0 9.7 204 212 A V H XX S+ 0 0 0 -4,-0.8 4,-1.3 -3,-0.8 3,-1.2 0.941 113.3 50.0 -64.3 -50.4 37.1 56.9 7.8 205 213 A L H 3X S+ 0 0 0 -4,-3.0 4,-2.1 1,-0.3 -2,-0.2 0.872 102.9 61.8 -56.1 -35.2 38.6 55.5 4.6 206 214 A A H 3X S+ 0 0 0 -4,-2.0 4,-1.4 -5,-0.3 -1,-0.3 0.794 99.0 54.5 -65.0 -27.8 37.2 52.0 5.3 207 215 A I H S+ 0 0 14 -4,-3.2 5,-1.5 1,-0.2 4,-0.4 0.900 112.2 49.2 -56.1 -38.6 32.5 51.7 -3.2 213 221 A N H ><5S+ 0 0 51 -4,-1.6 3,-1.1 -5,-0.2 -1,-0.2 0.940 111.1 47.8 -68.7 -42.0 31.4 48.2 -2.7 214 222 A G H 3<5S+ 0 0 13 -4,-3.5 -1,-0.2 1,-0.2 -2,-0.2 0.709 106.1 60.1 -70.8 -15.8 27.8 49.1 -2.2 215 223 A L T 3<5S- 0 0 17 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.554 122.7 -99.8 -88.4 -6.1 27.9 51.4 -5.4 216 224 A G T < 5S+ 0 0 71 -3,-1.1 -3,-0.2 -4,-0.4 -2,-0.1 0.343 78.5 135.9 103.8 -7.2 28.8 48.4 -7.7 217 225 A M < - 0 0 68 -5,-1.5 -1,-0.3 -6,-0.2 2,-0.1 -0.100 38.3-148.1 -69.9 168.0 32.6 49.1 -7.9 218 226 A G > - 0 0 48 0, 0.0 4,-1.3 0, 0.0 -1,-0.1 -0.330 37.5 -62.5-122.6-155.3 35.1 46.4 -7.6 219 227 A L H > S+ 0 0 114 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.713 123.5 59.8 -66.7 -27.3 38.6 45.6 -6.4 220 228 A N H > S+ 0 0 152 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.923 106.3 49.0 -68.1 -40.5 40.3 48.0 -8.8 221 229 A A H > S+ 0 0 30 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.884 109.5 51.0 -64.5 -36.1 38.4 50.8 -7.2 222 230 A R H X S+ 0 0 26 -4,-1.3 4,-2.6 2,-0.2 -1,-0.2 0.920 108.3 53.4 -66.0 -41.7 39.3 49.7 -3.6 223 231 A A H X S+ 0 0 56 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.916 110.6 46.3 -63.2 -35.9 42.9 49.6 -4.6 224 232 A A H X S+ 0 0 52 -4,-2.1 4,-2.9 2,-0.2 5,-0.4 0.879 109.0 54.7 -74.5 -34.3 42.7 53.1 -5.9 225 233 A L H X S+ 0 0 16 -4,-2.2 4,-2.4 2,-0.2 5,-0.3 0.942 110.7 46.8 -62.6 -41.6 40.8 54.3 -2.7 226 234 A I H X S+ 0 0 28 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.955 115.0 46.3 -62.7 -49.0 43.6 53.0 -0.6 227 235 A M H X S+ 0 0 53 -4,-2.2 4,-0.6 1,-0.2 -2,-0.2 0.877 119.9 37.6 -63.6 -42.9 46.3 54.6 -2.8 228 236 A R H >X S+ 0 0 98 -4,-2.9 4,-0.8 2,-0.2 3,-0.5 0.853 114.1 57.2 -78.0 -33.7 44.7 58.0 -3.1 229 237 A G H >X S+ 0 0 0 -4,-2.4 4,-1.6 -5,-0.4 3,-1.5 0.937 99.0 61.2 -60.3 -43.2 43.5 57.8 0.6 230 238 A L H 3X S+ 0 0 13 -4,-2.4 4,-3.2 1,-0.3 -1,-0.2 0.827 96.3 58.1 -54.8 -35.4 47.0 57.3 1.8 231 239 A L H S+ 0 0 0 -4,-2.6 5,-2.6 -5,-0.3 4,-0.3 0.917 105.4 49.3 -59.7 -43.9 50.6 64.1 8.9 238 246 A A H ><5S+ 0 0 70 -4,-2.1 3,-1.7 1,-0.2 -1,-0.2 0.958 110.4 51.9 -62.0 -42.3 52.8 66.8 7.4 239 247 A A H 3<5S+ 0 0 44 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.781 106.4 52.6 -62.4 -34.1 50.5 69.4 8.7 240 248 A L T 3<5S- 0 0 44 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.346 122.9-103.8 -84.5 0.9 50.5 68.0 12.2 241 249 A G T < 5 + 0 0 66 -3,-1.7 -3,-0.2 -4,-0.3 -2,-0.1 0.596 69.2 148.9 88.0 12.8 54.3 68.1 12.3 242 250 A G < - 0 0 16 -5,-2.6 -1,-0.2 -6,-0.2 -51,-0.1 -0.349 53.0-132.0 -78.5 159.9 55.0 64.4 11.8 243 251 A D - 0 0 96 -53,-0.1 -1,-0.1 1,-0.1 -52,-0.1 0.635 32.7-139.5 -84.7 -13.3 58.1 63.3 10.0 244 252 A G >> + 0 0 22 1,-0.1 3,-1.7 -7,-0.1 4,-0.5 0.346 61.6 129.3 75.9 -3.9 55.9 60.9 7.8 245 253 A S T 34 S+ 0 0 69 1,-0.3 3,-0.1 2,-0.1 -1,-0.1 0.683 72.8 53.4 -58.5 -9.7 58.3 57.9 7.8 246 254 A A T >4 S+ 0 0 5 1,-0.2 3,-2.2 2,-0.1 6,-1.0 0.669 83.9 86.8 -97.1 -11.8 55.4 55.6 8.9 247 255 A V T <4 S+ 0 0 2 -3,-1.7 6,-2.2 1,-0.3 -1,-0.2 0.899 98.6 34.4 -50.7 -47.9 53.0 56.6 6.1 248 256 A F T 3< S+ 0 0 122 -4,-0.5 -1,-0.3 4,-0.2 -2,-0.1 0.191 112.5 79.1 -95.9 18.5 54.4 54.1 3.7 249 257 A G S X >S- 0 0 30 -3,-2.2 5,-2.4 4,-0.0 3,-0.6 -0.271 103.8 -68.9-109.9-159.4 55.1 51.5 6.4 250 258 A L T 3 >S+ 0 0 50 1,-0.2 5,-2.0 3,-0.2 6,-0.2 0.879 128.4 50.6 -61.0 -36.2 53.1 49.0 8.3 251 259 A A T 3 5S+ 0 0 0 -107,-0.2 -1,-0.2 3,-0.2 -106,-0.2 0.755 123.6 26.2 -74.6 -26.2 51.2 51.5 10.4 252 260 A G T <>5S+ 0 0 1 -6,-1.0 4,-2.4 -3,-0.6 5,-0.3 0.706 136.1 15.8-100.1 -86.4 50.1 53.6 7.4 253 261 A L H >5S+ 0 0 32 -6,-2.2 4,-2.9 -7,-0.4 5,-0.3 0.914 127.0 51.9 -52.9 -53.6 49.9 51.6 4.2 254 262 A G H >< S+ 0 0 15 -4,-2.6 3,-1.0 -5,-0.2 -1,-0.2 0.895 108.9 53.0 -70.4 -36.2 41.4 47.7 7.2 260 268 A C H 3< S+ 0 0 0 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.747 111.6 48.0 -71.1 -20.1 39.9 48.8 3.8 261 269 A S T 3< S+ 0 0 45 -4,-1.2 2,-1.6 -5,-0.2 -1,-0.2 0.335 76.1 112.0 -99.6 8.6 39.6 45.1 2.8 262 270 A S X - 0 0 23 -3,-1.0 3,-1.8 -4,-0.2 6,-0.4 -0.649 47.2-175.3 -86.2 89.4 37.9 43.8 5.9 263 271 A E T 3 S+ 0 0 97 -2,-1.6 -1,-0.2 1,-0.3 -4,-0.0 0.745 78.1 47.0 -57.2 -30.0 34.5 43.1 4.3 264 272 A L T 3 S+ 0 0 164 -3,-0.1 -1,-0.3 4,-0.1 -2,-0.1 0.529 86.4 115.7 -93.7 -1.9 32.8 42.1 7.4 265 273 A S S <> S- 0 0 26 -3,-1.8 4,-3.0 -6,-0.1 5,-0.2 -0.168 74.3-120.8 -62.7 152.3 34.1 45.1 9.5 266 274 A R H > S+ 0 0 138 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.846 112.7 55.1 -66.4 -34.8 31.5 47.5 10.7 267 275 A N H > S+ 0 0 13 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.959 112.8 44.9 -60.9 -48.2 33.0 50.5 8.9 268 276 A F H > S+ 0 0 4 -6,-0.4 4,-3.3 2,-0.2 -2,-0.2 0.949 114.1 46.9 -60.9 -52.3 32.8 48.4 5.6 269 277 A T H X S+ 0 0 41 -4,-3.0 4,-2.3 1,-0.2 -1,-0.2 0.926 113.1 49.4 -61.8 -39.5 29.2 47.2 6.2 270 278 A V H X S+ 0 0 14 -4,-2.6 4,-2.5 -5,-0.2 -1,-0.2 0.919 112.9 47.5 -64.3 -41.8 28.1 50.7 7.2 271 279 A G H X S+ 0 0 0 -4,-2.6 4,-2.6 -5,-0.2 -2,-0.2 0.928 109.2 53.8 -66.6 -37.7 29.7 52.1 4.0 272 280 A K H X S+ 0 0 75 -4,-3.3 4,-2.5 -5,-0.2 -2,-0.2 0.938 108.7 50.0 -61.9 -40.0 28.1 49.4 1.9 273 281 A K H <>S+ 0 0 91 -4,-2.3 5,-2.3 2,-0.2 -2,-0.2 0.947 112.2 45.8 -61.9 -48.7 24.7 50.3 3.3 274 282 A L H ><5S+ 0 0 9 -4,-2.5 3,-1.7 1,-0.2 -1,-0.2 0.915 112.2 51.3 -59.4 -41.3 25.2 53.8 2.6 275 283 A G H 3<5S+ 0 0 6 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.843 106.0 55.2 -61.9 -38.5 26.5 53.0 -0.9 276 284 A K T 3<5S- 0 0 141 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.304 130.4-100.7 -78.0 9.1 23.4 50.8 -1.4 277 285 A G T < 5S+ 0 0 58 -3,-1.7 -3,-0.2 1,-0.3 -2,-0.1 0.305 73.4 144.7 92.2 -10.2 21.4 54.0 -0.6 278 286 A L < - 0 0 65 -5,-2.3 -1,-0.3 -6,-0.2 2,-0.1 -0.435 48.1-123.1 -66.3 137.9 20.4 53.4 3.1 279 287 A P > - 0 0 60 0, 0.0 4,-2.7 0, 0.0 5,-0.3 -0.390 20.8-111.6 -79.2 154.3 20.4 56.5 5.2 280 288 A I H > S+ 0 0 12 38,-0.2 4,-4.2 2,-0.2 5,-0.1 0.888 111.6 54.9 -54.5 -44.4 22.5 56.7 8.3 281 289 A E H > S+ 0 0 71 2,-0.3 4,-5.5 1,-0.3 -1,-0.2 0.946 111.5 44.4 -55.8 -51.2 19.6 56.7 10.8 282 290 A E H 4 S+ 0 0 73 2,-0.3 -1,-0.3 1,-0.3 -2,-0.2 0.936 115.6 47.2 -61.7 -41.7 18.3 53.6 9.5 283 291 A I H < S+ 0 0 29 -4,-2.7 -2,-0.3 1,-0.2 -1,-0.3 0.932 115.3 48.2 -65.5 -36.2 21.7 52.2 9.4 284 292 A Q H < 0 0 118 -4,-4.2 -2,-0.3 -5,-0.3 -1,-0.2 0.965 360.0 360.0 -66.5 -47.4 22.0 53.5 12.8 285 293 A R < 0 0 215 -4,-5.5 -3,-0.0 -5,-0.1 -4,-0.0 -0.112 360.0 360.0 -48.8 360.0 18.7 52.1 14.0 286 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 287 297 A A 0 0 124 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 164.0 27.5 50.1 18.2 288 298 A V - 0 0 85 1,-0.1 2,-0.4 2,-0.0 -21,-0.1 -0.601 360.0-120.6 -83.5 140.0 29.1 53.0 16.4 289 299 A A > - 0 0 5 -2,-0.3 4,-2.0 1,-0.2 3,-0.4 -0.638 21.6-129.4 -75.5 136.5 31.4 52.3 13.4 290 300 A E H > S+ 0 0 79 -2,-0.4 4,-2.7 1,-0.3 5,-0.2 0.891 107.2 54.8 -54.2 -38.3 34.7 53.9 14.3 291 301 A G H > S+ 0 0 1 -88,-0.3 4,-1.9 1,-0.2 -1,-0.3 0.883 104.2 53.5 -69.6 -30.6 34.8 55.6 10.9 292 302 A V H > S+ 0 0 13 -3,-0.4 4,-0.7 2,-0.2 -2,-0.2 0.970 113.1 42.4 -65.2 -48.3 31.5 57.3 11.5 293 303 A A H < S+ 0 0 20 -4,-2.0 3,-0.5 1,-0.2 -2,-0.2 0.902 116.1 49.2 -61.7 -43.4 32.5 58.7 14.8 294 304 A T H X S+ 0 0 5 -4,-2.7 4,-2.8 -5,-0.2 5,-0.3 0.819 93.8 76.9 -69.3 -29.0 36.0 59.8 13.6 295 305 A A H X S+ 0 0 2 -4,-1.9 4,-1.9 -5,-0.2 -1,-0.2 0.847 94.4 46.0 -52.2 -41.2 34.7 61.5 10.4 296 306 A D H X S+ 0 0 26 -4,-0.7 4,-2.5 -3,-0.5 5,-0.2 0.966 115.1 42.6 -72.7 -48.9 33.5 64.7 12.0 297 307 A P H > S+ 0 0 1 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.917 114.0 55.2 -64.7 -34.1 36.5 65.4 14.3 298 308 A L H X S+ 0 0 2 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.948 108.4 47.3 -58.5 -48.4 38.8 64.5 11.4 299 309 A M H X S+ 0 0 28 -4,-1.9 4,-2.5 -5,-0.3 5,-0.3 0.883 112.1 49.7 -61.0 -40.5 37.1 67.0 9.1 300 310 A R H X S+ 0 0 83 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.936 111.9 48.5 -68.6 -36.9 37.3 69.7 11.8 301 311 A L H X S+ 0 0 7 -4,-2.6 4,-1.7 -5,-0.2 -2,-0.2 0.945 111.5 49.3 -63.5 -47.0 40.9 69.1 12.3 302 312 A A H X>S+ 0 0 8 -4,-2.8 5,-3.0 2,-0.2 4,-1.0 0.930 111.8 49.5 -57.3 -46.5 41.6 69.1 8.5 303 313 A K H ><5S+ 0 0 146 -4,-2.5 3,-1.2 1,-0.2 -1,-0.2 0.967 109.5 51.5 -60.1 -47.5 39.7 72.4 8.1 304 314 A Q H 3<5S+ 0 0 134 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.871 117.4 38.6 -59.3 -32.4 41.6 74.0 11.0 305 315 A L H 3<5S- 0 0 59 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.460 110.5-122.7 -96.2 -2.3 44.9 73.0 9.4 306 316 A K T <<5 + 0 0 174 -3,-1.2 2,-0.6 -4,-1.0 -3,-0.2 0.937 57.4 153.1 63.4 44.4 43.7 73.7 6.0 307 317 A V < - 0 0 20 -5,-3.0 2,-0.3 -6,-0.1 -1,-0.2 -0.923 38.7-140.8-108.5 121.8 44.4 70.3 4.8 308 318 A K + 0 0 183 -2,-0.6 -73,-0.1 -3,-0.1 -72,-0.0 -0.688 20.9 178.0 -80.6 138.5 42.3 69.0 1.8 309 319 A M > - 0 0 10 -2,-0.3 4,-3.0 1,-0.1 5,-0.2 -0.795 5.3-173.6-140.2 80.9 41.3 65.4 2.2 310 320 A P H > S+ 0 0 67 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 0.847 80.7 38.1 -46.7 -54.7 39.2 64.7 -0.8 311 321 A L H > S+ 0 0 23 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.917 117.7 49.8 -66.0 -48.2 38.0 61.2 -0.0 312 322 A C H > S+ 0 0 7 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.902 109.7 53.6 -59.2 -39.6 37.6 61.8 3.7 313 323 A H H X S+ 0 0 79 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.932 111.0 42.3 -62.0 -48.5 35.6 64.9 3.0 314 324 A Q H X S+ 0 0 27 -4,-1.7 4,-2.7 2,-0.2 -1,-0.2 0.859 113.4 55.1 -67.0 -35.7 33.1 63.2 0.6 315 325 A I H X S+ 0 0 7 -4,-2.7 4,-2.7 1,-0.2 5,-0.3 0.943 108.9 47.4 -64.0 -40.5 32.9 60.3 3.1 316 326 A Y H X>S+ 0 0 13 -4,-3.1 4,-3.4 -5,-0.2 5,-0.6 0.920 111.8 50.2 -64.2 -39.6 32.0 62.8 5.8 317 327 A E H X5S+ 0 0 45 -4,-2.1 6,-1.7 -5,-0.2 4,-1.0 0.915 111.5 48.3 -66.8 -39.0 29.4 64.5 3.6 318 328 A I H <5S+ 0 0 11 -4,-2.7 4,-0.3 4,-0.2 -38,-0.2 0.931 119.7 38.2 -67.5 -40.1 27.9 61.1 2.8 319 329 A V H <5S+ 0 0 5 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.913 130.9 24.6 -75.6 -41.1 27.8 60.1 6.5 320 330 A Y H <5S+ 0 0 75 -4,-3.4 -3,-0.2 -5,-0.3 -2,-0.1 0.880 125.9 36.8 -92.0 -45.8 26.9 63.4 8.0 321 331 A K S < - 0 0 80 1,-0.2 4,-2.3 2,-0.1 3,-0.2 -0.508 20.8-136.6 -66.8 132.5 24.1 61.0 -2.2 325 335 A P H > S+ 0 0 15 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.805 102.3 54.9 -58.4 -38.3 27.1 58.8 -2.8 326 336 A R H > S+ 0 0 148 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.867 110.3 47.6 -68.2 -34.1 26.9 58.9 -6.5 327 337 A D H > S+ 0 0 95 -3,-0.2 4,-2.9 2,-0.2 5,-0.3 0.901 110.2 51.8 -70.9 -39.9 27.0 62.7 -6.3 328 338 A A H X S+ 0 0 2 -4,-2.3 4,-3.1 2,-0.2 -2,-0.2 0.943 109.6 50.3 -61.9 -43.7 29.9 62.5 -4.0 329 339 A L H X S+ 0 0 45 -4,-2.8 4,-2.9 1,-0.2 -2,-0.2 0.907 111.8 48.6 -60.4 -39.9 31.8 60.2 -6.4 330 340 A A H < S+ 0 0 55 -4,-2.0 4,-0.4 2,-0.2 -1,-0.2 0.920 111.6 46.9 -67.1 -43.9 31.1 62.6 -9.2 331 341 A D H >< S+ 0 0 76 -4,-2.9 3,-1.2 1,-0.2 4,-0.2 0.911 112.7 51.8 -62.1 -40.9 32.2 65.7 -7.2 332 342 A L H >< S+ 0 0 42 -4,-3.1 3,-0.9 1,-0.3 -2,-0.2 0.932 110.4 48.1 -60.5 -43.2 35.2 63.7 -6.3 333 343 A L G >< S+ 0 0 117 -4,-2.9 3,-0.9 1,-0.2 -1,-0.3 0.543 88.7 89.5 -77.4 -0.9 35.8 62.9 -9.9 334 344 A S G < + 0 0 91 -3,-1.2 -1,-0.2 -4,-0.4 -2,-0.2 0.565 57.6 94.5 -71.5 -9.0 35.4 66.5 -10.8 335 345 A C G < S- 0 0 78 -3,-0.9 -1,-0.2 -4,-0.2 2,-0.2 0.664 80.5-135.4 -61.2 -16.9 39.0 67.4 -10.4 336 346 A G < - 0 0 51 -3,-0.9 2,-0.4 2,-0.1 -1,-0.2 -0.581 47.8 -29.0 95.1-168.1 40.1 66.9 -14.1 337 347 A L S S+ 0 0 178 -2,-0.2 2,-0.3 0, 0.0 0, 0.0 -0.769 72.3 171.0 -95.2 138.0 43.2 65.2 -15.2 338 348 A Q - 0 0 139 -2,-0.4 2,-0.2 2,-0.0 -2,-0.1 -0.906 36.8-101.8-146.4 174.0 46.2 65.2 -13.0 339 349 A D - 0 0 151 -2,-0.3 0, 0.0 1,-0.1 0, 0.0 -0.570 47.7-106.5 -84.7 151.4 49.6 64.0 -12.2 340 350 A E - 0 0 120 -2,-0.2 -1,-0.1 1,-0.1 -2,-0.0 0.803 39.0-130.8 -52.6 -34.7 49.9 61.4 -9.5 341 351 A G + 0 0 44 1,-0.3 -1,-0.1 -110,-0.0 -2,-0.0 0.764 61.6 127.4 91.3 17.6 51.2 63.7 -6.8 342 352 A L - 0 0 75 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 -0.950 51.9-134.7-115.7 128.3 54.1 61.6 -5.6 343 353 A P - 0 0 90 0, 0.0 3,-0.1 0, 0.0 2,-0.0 -0.287 33.3 -93.4 -73.0 160.7 57.7 63.0 -5.4 344 354 A P - 0 0 91 0, 0.0 3,-0.1 0, 0.0 0, 0.0 -0.449 24.3-154.6 -72.5 154.5 60.7 61.2 -6.7 345 355 A L S S+ 0 0 134 1,-0.3 2,-0.4 2,-0.1 0, 0.0 0.716 82.8 36.4 -90.0 -35.2 62.5 59.1 -4.2 346 356 A F 0 0 171 1,-0.2 -1,-0.3 -3,-0.1 0, 0.0 -0.971 360.0 360.0-124.9 134.4 65.8 59.2 -6.0 347 357 A K 0 0 225 -2,-0.4 -1,-0.2 -3,-0.1 -2,-0.1 0.948 360.0 360.0 -80.4 360.0 67.1 62.1 -7.9