==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 31-MAR-09 3GVV . COMPND 2 MOLECULE: UROPORPHYRINOGEN DECARBOXYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.P.HILL,J.D.PHILLIPS,F.G.WHITBY,C.WARBY,J.P.KUSHNER . 356 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14485.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 249 69.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 31 8.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 1 0.3 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 . 14 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 133 37.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.5 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 0 3 1 1 1 0 0 0 2 1 0 1 0 1 0 0 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 2 0 3 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 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 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 11 A F 0 0 125 0, 0.0 132,-0.1 0, 0.0 199,-0.0 0.000 360.0 360.0 360.0 132.1 21.1 48.5 64.9 2 12 A P - 0 0 40 0, 0.0 2,-0.3 0, 0.0 135,-0.2 -0.086 360.0-103.5 -66.3 148.8 22.3 47.9 61.3 3 13 A E - 0 0 180 133,-0.1 2,-0.3 1,-0.1 0, 0.0 -0.528 40.2-111.0 -79.8 137.2 25.9 48.5 60.3 4 14 A L - 0 0 31 -2,-0.3 134,-0.2 1,-0.1 3,-0.1 -0.472 30.1-175.3 -77.7 129.5 26.5 51.7 58.4 5 15 A K S S+ 0 0 166 132,-3.8 2,-0.5 1,-0.3 133,-0.2 0.933 75.9 36.1 -84.9 -81.5 27.4 51.4 54.7 6 16 A N + 0 0 45 132,-1.0 -1,-0.3 131,-0.4 3,-0.0 -0.636 63.3 158.7 -67.0 119.7 28.1 55.0 53.5 7 17 A D >> + 0 0 56 -2,-0.5 4,-1.9 -3,-0.1 3,-1.0 0.152 28.9 122.3-129.7 21.0 29.7 56.9 56.4 8 18 A T H 3> S+ 0 0 9 1,-0.3 4,-3.0 2,-0.2 5,-0.2 0.850 73.2 56.9 -49.6 -43.8 31.4 59.7 54.5 9 19 A F H 3> S+ 0 0 0 60,-0.4 4,-1.8 1,-0.2 -1,-0.3 0.875 107.6 46.8 -59.4 -39.4 29.5 62.3 56.5 10 20 A L H <> S+ 0 0 28 -3,-1.0 4,-1.9 2,-0.2 -1,-0.2 0.856 113.7 46.6 -75.7 -31.9 30.8 61.0 59.9 11 21 A R H X>S+ 0 0 73 -4,-1.9 5,-1.3 2,-0.2 4,-1.2 0.928 112.3 50.1 -80.8 -37.8 34.4 60.7 58.7 12 22 A A H <5S+ 0 0 3 -4,-3.0 3,-0.2 -5,-0.2 -2,-0.2 0.877 109.6 54.7 -55.3 -40.0 34.2 64.2 57.2 13 23 A A H <5S+ 0 0 1 -4,-1.8 277,-0.3 -5,-0.2 -2,-0.2 0.923 107.0 47.5 -64.6 -44.8 32.7 65.4 60.5 14 24 A W H <5S- 0 0 108 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.706 121.1-104.6 -78.3 -15.5 35.6 64.0 62.6 15 25 A G T <5S+ 0 0 27 -4,-1.2 307,-0.3 1,-0.4 -3,-0.2 0.242 72.5 141.3 116.7 -9.5 38.2 65.6 60.3 16 26 A E < - 0 0 99 -5,-1.3 -1,-0.4 -6,-0.2 306,-0.2 -0.320 57.9-100.9 -62.5 140.3 39.3 62.4 58.5 17 27 A E - 0 0 124 304,-0.1 2,-0.3 305,-0.1 -1,-0.1 -0.233 41.4-168.2 -56.9 153.8 40.0 62.6 54.8 18 28 A T - 0 0 15 -6,-0.1 -1,-0.0 -7,-0.0 -10,-0.0 -0.989 32.7-119.9-150.2 152.5 37.3 61.3 52.3 19 29 A D S S+ 0 0 126 -2,-0.3 2,-0.3 336,-0.0 336,-0.2 0.660 95.6 2.8 -68.6 -20.1 37.1 60.5 48.6 20 30 A Y S S- 0 0 30 335,-0.1 328,-0.1 334,-0.1 329,-0.1 -0.925 88.2 -84.9-156.3 175.2 34.4 63.1 47.9 21 31 A T - 0 0 2 -2,-0.3 330,-0.1 326,-0.2 303,-0.1 -0.820 38.6-135.9 -98.7 121.4 32.4 65.8 49.8 22 32 A P - 0 0 0 0, 0.0 303,-1.9 0, 0.0 2,-0.3 -0.360 25.8-168.8 -69.7 159.0 29.4 64.7 51.7 23 33 A V B +a 325 0A 0 301,-0.2 46,-3.0 44,-0.2 47,-0.3 -0.994 19.7 150.7-152.1 142.6 26.2 66.8 51.4 24 34 A W - 0 0 0 301,-1.1 2,-0.4 -2,-0.3 303,-0.3 -0.924 30.1-124.7-157.2 175.9 22.8 67.3 53.0 25 35 A C > - 0 0 0 -2,-0.3 3,-1.1 45,-0.2 4,-0.2 -0.982 19.4-113.8-134.6 143.2 20.3 70.2 53.5 26 36 A M T 3 S+ 0 0 1 -2,-0.4 305,-2.0 303,-0.3 303,-0.1 -0.443 109.1 15.2 -71.0 146.0 18.6 71.7 56.4 27 37 A R T 3 S+ 0 0 109 303,-0.2 -1,-0.3 2,-0.1 47,-0.0 0.890 79.0 151.8 53.4 43.0 14.8 71.1 56.1 28 38 A Q S < S+ 0 0 2 -3,-1.1 2,-1.0 1,-0.2 -2,-0.1 0.836 71.1 58.3 -70.5 -29.6 15.6 68.5 53.4 29 39 A A S S+ 0 0 11 -4,-0.2 2,-0.3 43,-0.1 -1,-0.2 -0.857 94.8 121.6 -91.8 96.2 12.4 67.0 54.6 30 40 A G S > S- 0 0 9 -2,-1.0 3,-2.6 28,-0.1 6,-0.3 -0.941 78.7 -80.5-154.9 176.4 10.2 70.0 53.8 31 41 A R T 3 S+ 0 0 139 1,-0.3 6,-0.2 -2,-0.3 301,-0.1 0.589 110.7 76.7 -62.2 -14.3 7.2 71.6 52.1 32 42 A Y T 3 S+ 0 0 6 304,-0.1 -1,-0.3 4,-0.1 3,-0.1 0.712 84.7 79.4 -66.1 -20.2 9.2 72.0 48.8 33 43 A L S X> S- 0 0 0 -3,-2.6 4,-1.1 1,-0.2 3,-0.6 -0.779 73.0-154.1 -86.0 123.1 8.5 68.2 48.5 34 44 A P H >> S+ 0 0 60 0, 0.0 4,-1.9 0, 0.0 3,-1.4 0.977 97.2 55.7 -60.6 -47.8 5.0 67.5 47.2 35 45 A E H 34 S+ 0 0 50 1,-0.3 4,-0.1 2,-0.2 5,-0.1 0.733 101.4 62.3 -55.1 -21.1 5.0 64.1 48.9 36 46 A F H X> S+ 0 0 7 -3,-0.6 4,-1.0 -6,-0.3 3,-0.6 0.871 105.0 43.6 -70.4 -40.2 5.7 66.0 52.1 37 47 A R H < S+ 0 0 29 -4,-1.0 3,-1.5 1,-0.2 -2,-0.2 0.855 96.9 66.2 -76.0 -38.7 1.4 66.5 56.3 41 51 A A T 3< S+ 0 0 87 -4,-2.7 -1,-0.2 1,-0.2 -3,-0.1 0.710 80.5 84.8 -49.7 -24.2 -2.2 66.5 55.3 42 52 A A T 3 S- 0 0 64 -3,-0.1 2,-0.3 -5,-0.1 -1,-0.2 0.836 107.3 -23.9 -53.0 -40.9 -2.5 63.3 57.4 43 53 A Q S < S- 0 0 86 -3,-1.5 -1,-0.1 -4,-0.2 2,-0.1 -0.972 86.9 -56.5-159.4 173.2 -3.0 65.3 60.6 44 54 A D > - 0 0 104 -2,-0.3 3,-2.0 1,-0.1 -3,-0.0 -0.396 66.8-103.7 -53.8 132.5 -2.5 68.6 62.5 45 55 A F G > S+ 0 0 42 1,-0.3 3,-0.7 2,-0.1 5,-0.1 0.605 111.1 54.5 -40.0 -39.8 1.3 69.4 62.6 46 56 A F G 3 S+ 0 0 10 1,-0.3 3,-0.3 3,-0.1 -1,-0.3 0.601 102.2 54.1 -83.7 -12.0 2.2 68.4 66.2 47 57 A S G < S+ 0 0 40 -3,-2.0 -1,-0.3 2,-0.2 -2,-0.1 -0.194 102.0 63.6 -99.9 38.4 0.9 64.8 66.3 48 58 A T S < S+ 0 0 0 -3,-0.7 -1,-0.2 2,-0.2 -2,-0.1 0.209 104.9 43.6-158.0 19.1 2.9 64.0 63.1 49 59 A C S S+ 0 0 3 -3,-0.3 -2,-0.2 5,-0.1 -3,-0.1 -0.206 111.1 55.1 85.7 -95.0 5.5 64.6 65.0 50 60 A R S S+ 0 0 106 -5,-0.1 -2,-0.2 1,-0.1 -3,-0.1 0.664 95.5 76.2 -78.3 -12.6 3.7 62.5 67.6 51 61 A S >> - 0 0 40 1,-0.2 4,-1.6 2,-0.0 3,-0.9 -0.864 69.0-156.9 -99.7 111.1 3.3 59.6 65.3 52 62 A P H 3> S+ 0 0 34 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.862 91.9 55.0 -49.2 -44.7 6.6 57.6 64.9 53 63 A E H 3> S+ 0 0 102 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.842 107.0 51.3 -63.1 -32.3 5.6 56.1 61.6 54 64 A A H <> S+ 0 0 11 -3,-0.9 4,-2.1 2,-0.2 -1,-0.2 0.909 109.3 47.1 -72.9 -44.2 4.9 59.5 60.1 55 65 A C H X S+ 0 0 3 -4,-1.6 4,-2.8 2,-0.2 19,-0.4 0.888 111.0 52.9 -61.6 -44.5 8.3 61.2 61.1 56 66 A C H X S+ 0 0 2 -4,-2.0 4,-2.3 -5,-0.2 -1,-0.2 0.955 108.2 50.8 -54.1 -52.4 10.2 58.3 59.8 57 67 A E H X S+ 0 0 58 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.912 113.8 43.7 -52.3 -50.8 8.3 58.5 56.4 58 68 A L H < S+ 0 0 0 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.873 110.5 55.4 -61.5 -40.4 9.1 62.3 56.1 59 69 A T H < S+ 0 0 0 -4,-2.8 4,-0.4 1,-0.2 13,-0.2 0.896 114.1 41.6 -63.6 -38.8 12.7 61.7 57.2 60 70 A L H >X S+ 0 0 17 -4,-2.3 4,-1.2 -5,-0.2 3,-0.6 0.764 91.9 85.0 -80.2 -28.7 13.0 59.2 54.4 61 71 A Q H >X S+ 0 0 4 -4,-1.9 3,-0.9 1,-0.3 4,-0.6 0.859 93.8 42.7 -45.6 -51.9 11.2 61.0 51.6 62 72 A P H >> S+ 0 0 0 0, 0.0 4,-2.0 0, 0.0 3,-1.0 0.849 107.8 60.9 -63.4 -35.3 14.2 63.1 50.4 63 73 A L H <4 S+ 0 0 12 -3,-0.6 -2,-0.2 -4,-0.4 5,-0.1 0.741 100.9 54.6 -63.0 -24.9 16.6 60.2 50.7 64 74 A R H << S+ 0 0 141 -4,-1.2 -1,-0.3 -3,-0.9 -3,-0.1 0.679 114.0 43.1 -77.0 -20.5 14.4 58.4 48.1 65 75 A R H << S+ 0 0 89 -3,-1.0 -2,-0.2 -4,-0.6 -1,-0.2 0.797 121.3 23.5 -93.6 -33.3 14.9 61.4 45.8 66 76 A F S < S- 0 0 11 -4,-2.0 2,-2.9 278,-0.0 -1,-0.3 -0.998 74.8-113.2-144.4 138.7 18.5 62.2 46.2 67 77 A P + 0 0 77 0, 0.0 -44,-0.2 0, 0.0 -4,-0.1 -0.332 52.7 173.7 -63.6 60.0 21.8 60.5 47.2 68 78 A L - 0 0 4 -2,-2.9 -44,-0.2 -6,-0.2 3,-0.1 -0.374 34.3-135.3 -73.0 158.7 22.1 62.6 50.3 69 79 A D S S+ 0 0 3 -46,-3.0 -60,-0.4 1,-0.1 2,-0.3 0.315 80.9 15.6-106.0 8.3 24.9 61.8 52.7 70 80 A A - 0 0 0 -47,-0.3 2,-0.4 69,-0.2 -45,-0.2 -0.940 64.3-136.2-163.7 159.8 22.9 62.0 55.9 71 81 A A E -b 141 0A 0 69,-2.2 71,-3.5 -2,-0.3 2,-0.4 -0.955 15.6-154.0-115.0 141.2 19.3 62.0 57.1 72 82 A I E -b 142 0A 10 -2,-0.4 71,-0.2 -13,-0.2 -43,-0.1 -0.949 29.6-107.0-113.5 136.7 18.2 64.4 59.7 73 83 A I - 0 0 5 69,-2.5 2,-0.6 -2,-0.4 -17,-0.1 -0.369 32.8-115.6 -67.0 139.7 15.2 63.4 61.8 74 84 A F + 0 0 21 -19,-0.4 2,-0.3 53,-0.1 -15,-0.1 -0.658 61.4 121.4 -79.5 121.1 12.1 65.3 61.1 75 85 A S - 0 0 19 -2,-0.6 2,-0.4 -20,-0.0 70,-0.0 -0.938 56.8-109.8-158.7 174.3 11.0 67.4 64.1 76 86 A D > - 0 0 22 -2,-0.3 3,-2.0 -30,-0.1 4,-0.2 -0.971 19.4-134.6-113.0 138.6 10.2 70.9 65.2 77 87 A I T > S+ 0 0 29 -2,-0.4 3,-0.7 1,-0.3 69,-0.3 0.658 102.4 73.8 -62.0 -14.2 12.5 72.8 67.6 78 88 A L T 3> S+ 0 0 0 1,-0.2 4,-2.1 2,-0.1 -1,-0.3 0.577 71.4 84.2 -75.2 -6.9 9.3 73.8 69.4 79 89 A V H <> S+ 0 0 0 -3,-2.0 4,-2.9 1,-0.2 -1,-0.2 0.852 86.9 55.6 -61.9 -33.8 8.8 70.3 70.9 80 90 A V H <> S+ 0 0 1 -3,-0.7 4,-1.7 2,-0.2 -1,-0.2 0.950 109.1 41.6 -69.6 -52.7 11.1 71.1 73.7 81 91 A P H 4>S+ 0 0 0 0, 0.0 5,-1.2 0, 0.0 4,-0.2 0.908 116.3 53.5 -61.9 -36.2 9.3 74.2 75.0 82 92 A Q H ><5S+ 0 0 36 -4,-2.1 3,-1.8 1,-0.2 4,-0.3 0.918 105.9 50.3 -61.7 -45.7 6.1 72.3 74.4 83 93 A A H 3<5S+ 0 0 7 -4,-2.9 -1,-0.2 1,-0.3 -3,-0.2 0.801 103.2 62.6 -59.5 -29.1 7.4 69.4 76.5 84 94 A L T 3<5S- 0 0 0 -4,-1.7 28,-2.7 -5,-0.1 -1,-0.3 0.534 132.6 -91.8 -72.5 -8.0 8.2 72.0 79.2 85 95 A G T < 5S+ 0 0 23 -3,-1.8 2,-0.5 1,-0.2 -3,-0.2 0.718 78.8 139.6 101.9 32.6 4.5 72.8 79.3 86 96 A M < - 0 0 1 -5,-1.2 2,-0.3 -4,-0.3 -1,-0.2 -0.917 48.6-127.4-109.7 125.5 3.9 75.5 76.8 87 97 A E - 0 0 126 -2,-0.5 13,-0.5 13,-0.1 2,-0.3 -0.484 22.0-160.3 -77.2 126.6 0.8 75.4 74.6 88 98 A V - 0 0 21 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.756 4.0-165.8 -99.8 147.0 1.3 75.7 70.9 89 99 A T - 0 0 56 8,-2.6 2,-0.9 -2,-0.3 8,-0.1 -0.971 22.2-134.6-126.3 149.6 -1.4 76.7 68.3 90 100 A M - 0 0 74 -2,-0.3 3,-0.3 6,-0.1 8,-0.0 -0.794 32.7-159.2-100.6 84.8 -1.3 76.3 64.5 91 101 A V B >> -H 95 0B 58 -2,-0.9 3,-2.9 4,-0.8 4,-0.7 -0.437 52.1 -45.5 -74.1 139.8 -2.7 79.8 63.6 92 102 A P T 34 S- 0 0 131 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.350 106.2 -58.7 -7.1 57.1 -4.2 80.3 60.0 93 103 A G T 34 S+ 0 0 90 -3,-0.3 -2,-0.1 2,-0.1 -3,-0.0 0.792 114.6 111.6 60.6 31.6 -1.5 78.5 57.9 94 104 A K T <4 S- 0 0 111 -3,-2.9 -1,-0.1 1,-0.3 -3,-0.0 0.339 71.8-133.2-112.4 -1.8 1.2 80.9 59.3 95 105 A G B < +H 91 0B 18 -4,-0.7 -4,-0.8 2,-0.1 -1,-0.3 -0.553 56.5 29.4 103.0-152.5 3.1 78.3 61.4 96 106 A P + 0 0 53 0, 0.0 2,-0.2 0, 0.0 64,-0.2 -0.126 62.7 168.6 -52.5 144.4 4.6 77.9 65.0 97 107 A S - 0 0 17 62,-0.1 -8,-2.6 -8,-0.1 62,-0.2 -0.799 34.3-161.6-171.3 119.1 2.9 79.9 67.8 98 108 A F - 0 0 6 60,-0.6 -10,-0.2 -2,-0.2 61,-0.1 -0.921 11.7-167.5 -99.7 106.3 2.7 80.3 71.5 99 109 A P S S+ 0 0 58 0, 0.0 -1,-0.1 0, 0.0 -11,-0.1 0.757 86.7 39.7 -61.2 -29.7 -0.6 82.1 72.3 100 110 A E S S- 0 0 107 -13,-0.5 -13,-0.1 -3,-0.1 58,-0.1 -0.655 83.3-176.1-123.8 77.6 0.6 82.7 75.9 101 111 A P - 0 0 27 0, 0.0 2,-0.4 0, 0.0 55,-0.2 -0.143 37.4 -91.7 -67.4 161.4 4.4 83.6 75.8 102 112 A L + 0 0 0 53,-2.4 3,-0.1 1,-0.2 56,-0.0 -0.620 55.5 155.5 -71.8 127.9 6.5 84.1 79.0 103 113 A R + 0 0 93 -2,-0.4 2,-0.3 1,-0.3 -1,-0.2 0.725 55.5 35.4-124.1 -40.8 6.5 87.8 79.9 104 114 A E S > S- 0 0 92 1,-0.1 3,-0.7 73,-0.0 -1,-0.3 -0.754 85.1-107.9-113.4 164.2 7.2 88.3 83.5 105 115 A E G > S+ 0 0 99 -2,-0.3 3,-1.4 1,-0.2 4,-0.2 0.779 114.9 63.8 -60.1 -32.8 9.6 86.3 85.8 106 116 A Q G > S+ 0 0 104 1,-0.3 3,-3.0 2,-0.2 4,-0.3 0.885 85.2 76.2 -59.1 -40.7 6.7 84.6 87.7 107 117 A D G X S+ 0 0 31 -3,-0.7 3,-2.2 1,-0.3 -1,-0.3 0.724 77.7 75.1 -39.2 -33.7 5.6 83.0 84.4 108 118 A L G X S+ 0 0 13 -3,-1.4 3,-1.9 -4,-0.3 -1,-0.3 0.750 78.2 72.5 -58.6 -26.9 8.5 80.6 84.9 109 119 A E G < S+ 0 0 151 -3,-3.0 -1,-0.3 1,-0.3 -2,-0.2 0.781 85.2 69.3 -55.6 -26.9 6.5 78.8 87.5 110 120 A R G < S+ 0 0 89 -3,-2.2 -1,-0.3 -4,-0.3 -2,-0.2 0.712 83.2 96.3 -65.0 -19.7 4.4 77.5 84.6 111 121 A L S < S- 0 0 19 -3,-1.9 -26,-0.2 -4,-0.2 -27,-0.1 -0.393 76.1-115.0 -84.9 150.3 7.3 75.3 83.4 112 122 A R - 0 0 100 -28,-2.7 -1,-0.1 1,-0.1 -28,-0.0 -0.333 44.0 -88.5 -67.5 157.1 7.9 71.6 84.1 113 123 A D >> - 0 0 98 1,-0.1 3,-0.9 -2,-0.1 4,-0.7 -0.532 41.6-125.6 -62.0 131.0 10.9 70.4 86.0 114 124 A P G >4 S+ 0 0 18 0, 0.0 3,-0.9 0, 0.0 4,-0.5 0.820 100.8 63.0 -55.1 -34.5 13.6 70.0 83.4 115 125 A E G 34 S+ 0 0 122 1,-0.2 3,-0.4 2,-0.1 4,-0.3 0.830 99.6 51.9 -66.1 -31.9 14.5 66.3 84.3 116 126 A V G X> S+ 0 0 63 -3,-0.9 3,-1.0 1,-0.2 4,-0.9 0.703 87.8 85.1 -74.4 -19.0 11.1 64.8 83.5 117 127 A V H XX S+ 0 0 0 -3,-0.9 3,-1.9 -4,-0.7 4,-1.0 0.890 77.8 63.8 -51.0 -51.6 11.0 66.4 80.0 118 128 A A H >4 S+ 0 0 21 -4,-0.5 3,-1.2 -3,-0.4 -1,-0.3 0.872 101.5 53.3 -39.1 -46.4 12.9 63.6 78.4 119 129 A S H X4 S+ 0 0 84 -3,-1.0 3,-0.9 -4,-0.3 -1,-0.3 0.791 102.3 57.5 -67.8 -24.5 10.0 61.3 79.3 120 130 A E H << S+ 0 0 92 -3,-1.9 3,-0.4 -4,-0.9 -1,-0.3 0.714 102.2 57.5 -75.3 -13.0 7.5 63.6 77.6 121 131 A L T XX + 0 0 0 -3,-1.2 4,-1.6 -4,-1.0 3,-1.1 0.097 64.8 122.4-107.7 23.2 9.5 63.3 74.3 122 132 A G H <> + 0 0 21 -3,-0.9 4,-2.1 1,-0.3 -1,-0.2 0.805 66.1 64.5 -54.6 -37.5 9.2 59.5 74.0 123 133 A Y H 3> S+ 0 0 27 -3,-0.4 4,-1.8 1,-0.2 -1,-0.3 0.876 103.8 48.5 -55.1 -37.9 7.5 59.7 70.6 124 134 A V H <> S+ 0 0 6 -3,-1.1 4,-2.5 2,-0.2 3,-0.3 0.960 108.7 50.9 -66.2 -50.7 10.7 61.3 69.2 125 135 A F H X S+ 0 0 40 -4,-1.6 4,-2.0 1,-0.3 -1,-0.2 0.891 112.5 49.4 -53.1 -37.2 13.0 58.7 70.7 126 136 A Q H X S+ 0 0 117 -4,-2.1 4,-2.5 1,-0.2 -1,-0.3 0.855 107.7 52.0 -68.7 -39.8 10.8 56.2 69.1 127 137 A A H X S+ 0 0 2 -4,-1.8 4,-2.4 -3,-0.3 -1,-0.2 0.819 108.3 53.2 -69.9 -31.9 10.8 57.8 65.7 128 138 A I H X S+ 0 0 1 -4,-2.5 4,-3.5 2,-0.2 5,-0.3 0.974 110.2 45.5 -67.0 -52.1 14.6 57.8 65.8 129 139 A T H X S+ 0 0 46 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.917 113.5 50.6 -58.3 -47.1 14.8 54.1 66.5 130 140 A L H X S+ 0 0 31 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.950 115.5 42.9 -49.9 -51.1 12.2 53.4 63.8 131 141 A T H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 5,-0.3 0.862 108.1 56.0 -74.4 -34.6 14.2 55.5 61.4 132 142 A R H X>S+ 0 0 38 -4,-3.5 4,-1.0 1,-0.2 5,-0.7 0.924 111.1 48.7 -61.0 -38.1 17.6 54.2 62.3 133 143 A Q H <5S+ 0 0 95 -4,-2.1 -2,-0.2 -5,-0.3 -1,-0.2 0.863 111.8 46.2 -65.2 -42.0 16.2 50.8 61.5 134 144 A R H <5S+ 0 0 121 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.736 104.1 57.9 -82.4 -22.8 14.7 51.6 58.2 135 145 A L H ><5S- 0 0 6 -4,-2.0 3,-1.6 -5,-0.1 -1,-0.2 0.849 93.1-161.3 -69.5 -30.0 17.6 53.5 56.7 136 146 A A T 3<5 - 0 0 52 -4,-1.0 -3,-0.1 -5,-0.3 -133,-0.1 0.891 63.5 -46.5 57.5 45.8 19.1 50.2 57.5 137 147 A G T 3 - 0 0 0 60,-2.9 4,-2.3 -2,-0.4 3,-0.4 -0.284 33.1-103.9 -69.3 151.2 20.0 75.9 71.3 148 158 A P H > S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.865 117.9 46.9 -46.3 -53.8 18.9 77.4 74.7 149 159 A W H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.917 110.6 52.7 -58.3 -43.0 18.9 81.1 73.5 150 160 A T H > S+ 0 0 1 -3,-0.4 4,-1.6 1,-0.2 3,-0.2 0.962 111.6 45.3 -56.8 -49.9 16.9 80.3 70.4 151 161 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.3 -1,-0.2 0.884 108.0 58.9 -64.0 -35.9 14.2 78.5 72.4 152 162 A M H X S+ 0 0 0 -4,-2.6 4,-2.6 -5,-0.3 5,-0.3 0.940 102.9 53.0 -56.8 -43.6 14.2 81.3 74.8 153 163 A T H X S+ 0 0 2 -4,-2.3 4,-3.1 1,-0.2 5,-0.3 0.855 110.0 46.7 -64.2 -39.9 13.3 83.7 72.1 154 164 A Y H X S+ 0 0 40 -4,-1.6 4,-1.7 3,-0.2 -1,-0.2 0.873 113.7 49.1 -64.3 -40.0 10.4 81.7 70.9 155 165 A M H < S+ 0 0 0 -4,-2.5 -53,-2.4 -5,-0.2 -2,-0.2 0.883 121.9 33.4 -70.3 -35.5 9.2 81.3 74.5 156 166 A V H < S+ 0 0 0 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.923 125.1 40.4 -88.9 -45.1 9.5 84.9 75.3 157 167 A E H < S- 0 0 35 -4,-3.1 2,-1.7 -5,-0.3 -3,-0.2 0.722 89.7-152.3 -76.3 -17.7 8.6 86.4 71.9 158 168 A G S < S+ 0 0 3 -4,-1.7 -60,-0.6 -5,-0.3 -1,-0.2 -0.570 72.2 20.1 84.3 -76.8 5.8 83.8 71.2 159 169 A G S S- 0 0 21 -2,-1.7 2,-0.2 1,-0.2 -2,-0.1 0.169 109.8 -61.8 -90.7-145.7 5.9 83.9 67.5 160 170 A G - 0 0 64 -64,-0.2 2,-0.3 -3,-0.1 -1,-0.2 -0.646 53.0-168.3-100.1 165.0 8.8 85.0 65.2 161 171 A S - 0 0 36 -2,-0.2 -4,-0.0 1,-0.1 -3,-0.0 -0.988 31.1-134.8-161.4 142.5 10.1 88.6 65.2 162 172 A S S S+ 0 0 113 -2,-0.3 -1,-0.1 1,-0.1 -2,-0.0 0.742 105.5 22.6 -70.1 -26.3 12.3 90.8 63.3 163 173 A T S S- 0 0 86 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.619 84.1-134.1-122.2 -21.3 14.2 92.3 66.3 164 174 A M > + 0 0 4 3,-0.1 4,-3.0 4,-0.1 5,-0.3 0.747 52.3 152.0 63.7 27.1 13.9 89.9 69.3 165 175 A A H > + 0 0 43 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.929 62.5 49.2 -60.3 -53.3 13.0 92.9 71.3 166 176 A Q H > S+ 0 0 53 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.894 116.5 45.8 -50.2 -40.0 10.8 91.3 74.0 167 177 A A H > S+ 0 0 0 2,-0.2 4,-1.5 1,-0.2 3,-0.3 0.918 112.6 46.3 -75.1 -47.0 13.5 88.7 74.5 168 178 A K H X S+ 0 0 60 -4,-3.0 4,-2.6 1,-0.2 5,-0.3 0.866 104.8 63.3 -63.5 -36.4 16.5 91.1 74.6 169 179 A R H X S+ 0 0 105 -4,-3.1 4,-3.4 -5,-0.3 5,-0.3 0.907 102.9 50.8 -50.1 -42.2 14.5 93.2 76.9 170 180 A W H X S+ 0 0 2 -4,-1.1 4,-3.1 -3,-0.3 8,-0.3 0.924 107.4 52.2 -60.9 -45.4 14.7 90.2 79.2 171 181 A L H < S+ 0 0 4 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.895 119.4 35.1 -57.5 -43.8 18.4 90.0 78.8 172 182 A Y H < S+ 0 0 159 -4,-2.6 -2,-0.2 2,-0.1 -1,-0.2 0.873 129.3 32.0 -83.3 -40.6 18.9 93.6 79.7 173 183 A Q H < S+ 0 0 128 -4,-3.4 -3,-0.2 -5,-0.3 -2,-0.2 0.691 130.0 29.9 -88.6 -21.6 16.1 94.0 82.4 174 184 A R X + 0 0 64 -4,-3.1 4,-2.8 -5,-0.3 5,-0.2 -0.426 61.3 157.8-137.0 59.0 16.0 90.5 83.9 175 185 A P H > S+ 0 0 55 0, 0.0 4,-3.6 0, 0.0 5,-0.2 0.928 79.1 47.7 -47.2 -48.8 19.5 89.0 83.7 176 186 A Q H > S+ 0 0 163 2,-0.2 4,-3.0 1,-0.2 5,-0.1 0.979 112.9 45.2 -62.0 -56.4 18.7 86.6 86.6 177 187 A A H > S+ 0 0 3 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.881 115.4 52.0 -47.8 -41.6 15.4 85.3 85.3 178 188 A S H X S+ 0 0 0 -4,-2.8 4,-2.7 -8,-0.3 5,-0.3 0.977 109.5 46.4 -62.8 -54.0 17.1 85.1 82.0 179 189 A H H X S+ 0 0 67 -4,-3.6 4,-1.8 -5,-0.2 -2,-0.2 0.904 113.1 52.2 -53.8 -35.5 19.9 83.0 83.4 180 190 A Q H X S+ 0 0 99 -4,-3.0 4,-2.3 -5,-0.2 3,-0.4 0.980 110.4 44.9 -69.6 -55.7 17.3 80.9 85.1 181 191 A L H X S+ 0 0 0 -4,-3.1 4,-2.4 1,-0.2 -1,-0.2 0.931 112.3 53.0 -46.4 -53.5 15.3 80.2 82.0 182 192 A L H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.844 108.2 50.6 -54.9 -36.7 18.4 79.4 80.0 183 193 A R H X S+ 0 0 87 -4,-1.8 4,-3.2 -3,-0.4 5,-0.3 0.946 108.2 52.1 -67.3 -47.8 19.6 77.0 82.6 184 194 A I H X S+ 0 0 27 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.893 110.3 49.6 -56.0 -40.8 16.2 75.2 82.5 185 195 A L H X S+ 0 0 0 -4,-2.4 4,-3.3 2,-0.2 -1,-0.2 0.936 110.9 48.7 -64.3 -45.3 16.5 75.0 78.8 186 196 A T H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.927 111.4 49.4 -59.2 -47.3 20.0 73.5 79.0 187 197 A D H < S+ 0 0 52 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.802 113.4 47.7 -68.7 -26.2 19.0 71.0 81.6 188 198 A A H X S+ 0 0 0 -4,-1.7 4,-1.3 -5,-0.3 -2,-0.2 0.947 110.4 51.7 -72.6 -46.6 16.1 70.0 79.4 189 199 A L H X S+ 0 0 0 -4,-3.3 4,-2.2 1,-0.2 5,-0.2 0.855 101.0 60.2 -59.4 -40.1 18.2 69.7 76.3 190 200 A V H >X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 3,-0.6 0.965 107.9 41.3 -58.7 -57.6 20.9 67.4 77.6 191 201 A P H 3> S+ 0 0 15 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.809 114.7 54.9 -62.7 -22.9 18.7 64.5 78.5 192 202 A Y H 3X S+ 0 0 3 -4,-1.3 4,-1.6 2,-0.2 -2,-0.2 0.869 111.6 42.6 -74.1 -32.3 16.8 65.0 75.3 193 203 A L H S+ 0 0 0 -4,-1.6 5,-3.0 1,-0.2 -1,-0.2 0.868 114.0 43.2 -60.6 -38.8 18.2 60.8 70.8 197 207 A V H ><5S+ 0 0 13 -4,-2.1 3,-1.5 3,-0.2 -1,-0.2 0.888 113.0 50.0 -76.0 -40.6 21.6 59.1 70.7 198 208 A V H 3<5S+ 0 0 80 -4,-3.5 -2,-0.2 1,-0.3 -1,-0.2 0.931 109.7 55.0 -60.1 -40.4 20.6 56.4 73.0 199 209 A A T 3<5S- 0 0 10 -4,-3.4 -1,-0.3 -5,-0.3 -2,-0.2 0.444 137.9 -80.6 -73.5 -0.4 17.6 56.0 70.7 200 210 A G T < 5S+ 0 0 2 -3,-1.5 -3,-0.2 1,-0.3 -59,-0.2 0.495 76.8 147.1 117.1 1.1 19.8 55.6 67.7 201 211 A A < - 0 0 4 -5,-3.0 -1,-0.3 -6,-0.2 -59,-0.2 -0.478 26.4-167.2 -69.7 141.3 21.0 59.0 66.5 202 212 A Q S S+ 0 0 22 -61,-3.2 2,-0.3 1,-0.2 -60,-0.2 0.557 71.1 17.1-106.9 -12.6 24.6 59.1 65.0 203 213 A A E S-c 142 0A 0 -62,-1.1 -60,-3.3 43,-0.2 2,-0.4 -0.966 70.4-142.2-151.8 154.4 25.2 62.9 64.9 204 214 A L E -cd 143 248A 0 43,-2.3 45,-1.9 -2,-0.3 2,-0.5 -0.986 6.3-157.3-128.5 133.4 23.6 65.8 66.6 205 215 A Q E -cd 144 249A 0 -62,-2.7 -60,-2.1 -2,-0.4 2,-0.5 -0.918 1.1-160.4-109.7 131.0 22.8 69.2 65.4 206 216 A L E -cd 145 250A 1 43,-3.0 45,-2.2 -2,-0.5 2,-0.6 -0.917 10.5-152.5-102.4 128.7 22.3 72.3 67.5 207 217 A Y E +cd 146 251A 26 -62,-1.8 -60,-2.9 -2,-0.5 2,-0.6 -0.893 20.9 173.2-104.9 113.8 20.4 75.2 65.9 208 218 A E E > + d 0 252A 0 43,-3.4 45,-1.3 -2,-0.6 3,-1.1 -0.696 16.5 160.6-111.3 72.6 21.2 78.7 67.2 209 219 A S T 3 + 0 0 24 -2,-0.6 3,-0.3 1,-0.3 -1,-0.1 0.666 68.4 53.7 -71.4 -15.7 19.1 80.3 64.5 210 220 A H T 3 + 0 0 23 1,-0.2 4,-0.3 -3,-0.1 3,-0.3 -0.116 69.5 111.0-111.7 36.7 18.8 83.6 66.6 211 221 A A X + 0 0 0 -3,-1.1 3,-2.0 42,-0.5 -1,-0.2 0.908 67.0 68.6 -68.5 -42.9 22.5 84.2 67.2 212 222 A G T 3 S+ 0 0 35 41,-1.2 -1,-0.2 1,-0.3 -2,-0.1 0.743 88.7 62.8 -52.7 -32.4 22.4 87.2 64.9 213 223 A H T 3 S+ 0 0 55 -3,-0.3 -1,-0.3 2,-0.0 2,-0.2 0.687 97.0 66.1 -70.5 -24.1 20.3 89.3 67.2 214 224 A L S < S- 0 0 5 -3,-2.0 3,-0.0 -4,-0.3 -46,-0.0 -0.603 76.2-143.8 -88.2 154.9 22.9 89.2 70.0 215 225 A G > - 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