==== 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 3GVR . COMPND 2 MOLECULE: UROPORPHYRINOGEN DECARBOXYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.P.HILL,J.D.PHILLIPS,F.G.WHITBY,C.WARBY . 356 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14730.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 246 69.1 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 . 4 1.1 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 . 12 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 135 37.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 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 3 1 1 2 1 1 1 0 0 0 2 1 0 1 0 1 0 0 0 0 0 1 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 . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 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 0 117 0, 0.0 132,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 147.4 21.3 48.8 63.4 2 12 A P - 0 0 37 0, 0.0 2,-0.2 0, 0.0 135,-0.2 -0.309 360.0-100.9 -63.4 147.0 22.4 48.1 59.9 3 13 A E - 0 0 178 133,-0.1 2,-0.1 1,-0.1 0, 0.0 -0.497 41.4-106.6 -71.3 132.2 26.1 48.8 59.0 4 14 A L - 0 0 40 -2,-0.2 134,-0.2 1,-0.1 3,-0.2 -0.367 32.1-174.5 -64.0 131.3 26.6 52.1 57.2 5 15 A K S S+ 0 0 177 132,-3.8 2,-0.6 1,-0.3 133,-0.2 0.870 76.5 33.7 -93.5 -46.7 27.4 51.7 53.5 6 16 A N + 0 0 39 131,-0.9 -1,-0.3 132,-0.8 3,-0.1 -0.954 60.9 160.4-116.0 113.1 28.2 55.3 52.5 7 17 A D >> + 0 0 64 -2,-0.6 4,-2.1 -3,-0.2 3,-0.7 0.136 32.4 121.1-119.7 16.6 29.9 57.2 55.3 8 18 A T H 3> S+ 0 0 11 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.872 74.2 55.0 -46.7 -48.4 31.4 60.0 53.3 9 19 A F H 3> S+ 0 0 0 60,-0.4 4,-2.0 1,-0.2 -1,-0.3 0.859 109.8 46.4 -55.6 -41.2 29.5 62.7 55.3 10 20 A L H <> S+ 0 0 27 -3,-0.7 4,-1.9 2,-0.2 -1,-0.2 0.879 112.4 49.3 -72.0 -38.4 30.9 61.4 58.6 11 21 A R H <>S+ 0 0 64 -4,-2.1 5,-2.4 2,-0.2 4,-0.4 0.943 112.5 47.2 -66.4 -47.7 34.5 61.1 57.4 12 22 A A H ><5S+ 0 0 3 -4,-2.8 3,-1.1 1,-0.2 -2,-0.2 0.895 111.4 53.3 -57.8 -42.1 34.3 64.7 56.0 13 23 A A H 3<5S+ 0 0 2 -4,-2.0 277,-0.3 1,-0.3 -1,-0.2 0.841 107.5 49.8 -62.4 -36.9 32.8 65.8 59.4 14 24 A W T 3<5S- 0 0 112 -4,-1.9 -1,-0.3 -3,-0.2 -2,-0.2 0.460 124.5-104.2 -84.0 -1.2 35.6 64.2 61.4 15 25 A G T < 5S+ 0 0 30 -3,-1.1 -3,-0.2 -4,-0.4 307,-0.2 0.462 73.2 139.3 99.2 3.3 38.1 66.0 59.1 16 26 A E < - 0 0 100 -5,-2.4 -1,-0.3 -6,-0.2 306,-0.2 -0.388 57.1 -99.2 -84.4 156.9 39.3 63.1 57.0 17 27 A E - 0 0 95 -2,-0.1 2,-0.3 304,-0.1 -1,-0.1 -0.409 42.3-172.3 -68.7 146.3 40.0 63.0 53.3 18 28 A T - 0 0 10 302,-0.2 3,-0.1 -2,-0.1 -9,-0.0 -0.909 36.2-115.5-136.3 168.9 37.2 61.6 51.0 19 29 A D S S+ 0 0 123 -2,-0.3 2,-0.3 1,-0.1 336,-0.1 0.598 97.8 3.4 -81.2 -15.1 36.8 60.8 47.3 20 30 A Y S S- 0 0 23 300,-0.1 328,-0.1 335,-0.0 -1,-0.1 -0.963 86.8 -87.9-158.7 168.1 34.2 63.5 46.8 21 31 A T - 0 0 2 326,-0.4 330,-0.1 -2,-0.3 2,-0.1 -0.759 43.5-133.8 -84.0 121.5 32.5 66.3 48.7 22 32 A P - 0 0 0 0, 0.0 303,-2.2 0, 0.0 2,-0.4 -0.470 24.6-160.6 -73.6 149.1 29.4 65.0 50.5 23 33 A V B +a 325 0A 1 44,-0.2 46,-3.0 301,-0.2 47,-0.5 -0.993 21.3 157.0-137.7 137.9 26.2 67.0 50.1 24 34 A W - 0 0 0 301,-1.5 2,-0.4 -2,-0.4 303,-0.3 -0.936 29.0-128.1-144.7 168.1 22.9 67.5 51.9 25 35 A C > - 0 0 0 -2,-0.3 3,-2.0 45,-0.2 4,-0.2 -0.975 18.6-119.7-126.0 130.7 20.3 70.3 52.1 26 36 A M T 3 S+ 0 0 5 -2,-0.4 305,-1.8 1,-0.3 303,-0.1 -0.386 107.3 14.0 -57.9 136.3 18.7 72.1 55.0 27 37 A R T 3 S+ 0 0 125 303,-0.2 -1,-0.3 2,-0.1 47,-0.0 0.753 76.7 152.2 59.0 29.9 15.0 71.4 54.7 28 38 A Q S < S+ 0 0 2 -3,-2.0 2,-1.0 1,-0.2 -2,-0.1 0.843 73.0 58.5 -55.9 -32.9 15.5 68.6 52.1 29 39 A A S S+ 0 0 9 -4,-0.2 2,-0.3 43,-0.1 -1,-0.2 -0.855 92.9 118.4 -92.1 97.3 12.2 67.3 53.5 30 40 A G S > S- 0 0 7 -2,-1.0 3,-2.5 28,-0.1 6,-0.3 -0.957 80.6 -79.7-157.4 173.6 10.1 70.4 52.7 31 41 A R T 3 S+ 0 0 129 1,-0.3 6,-0.2 -2,-0.3 301,-0.1 0.613 110.0 78.5 -58.8 -18.2 7.1 71.9 50.9 32 42 A Y T 3 S+ 0 0 4 299,-0.1 -1,-0.3 4,-0.1 3,-0.1 0.694 82.8 79.0 -63.0 -21.7 9.1 72.2 47.6 33 43 A L S X> S- 0 0 0 -3,-2.5 4,-1.2 1,-0.1 3,-0.7 -0.820 75.1-150.1 -89.3 124.3 8.4 68.5 47.2 34 44 A P H 3> S+ 0 0 57 0, 0.0 4,-1.9 0, 0.0 3,-0.3 0.899 99.5 55.3 -54.5 -43.4 4.9 67.7 46.0 35 45 A E H 3> S+ 0 0 46 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.719 101.2 60.5 -65.7 -22.6 4.9 64.4 47.9 36 46 A F H <> S+ 0 0 8 -3,-0.7 4,-2.2 -6,-0.3 -1,-0.2 0.913 105.5 45.1 -69.3 -47.2 5.7 66.3 51.1 37 47 A R H X S+ 0 0 117 -4,-1.2 4,-1.6 -3,-0.3 -2,-0.2 0.914 111.6 53.1 -63.0 -46.7 2.5 68.4 50.9 38 48 A E H < S+ 0 0 156 -4,-1.9 3,-0.4 1,-0.2 -2,-0.2 0.948 114.0 42.1 -51.3 -54.0 0.4 65.3 50.1 39 49 A T H >< S+ 0 0 40 -4,-1.8 3,-1.2 1,-0.2 -1,-0.2 0.843 112.4 53.7 -64.8 -36.9 1.8 63.4 53.2 40 50 A R H >< S+ 0 0 19 -4,-2.2 3,-1.2 1,-0.3 5,-0.4 0.730 93.8 71.6 -72.4 -22.6 1.5 66.5 55.4 41 51 A A T 3< + 0 0 75 -4,-1.6 -1,-0.3 -3,-0.4 -2,-0.2 0.486 66.5 96.9 -71.2 -3.8 -2.2 66.9 54.5 42 52 A A T < S- 0 0 80 -3,-1.2 -1,-0.2 -4,-0.1 2,-0.2 0.831 116.1 -46.3 -53.2 -36.9 -2.8 63.8 56.7 43 53 A Q S < S- 0 0 117 -3,-1.2 2,-0.4 -4,-0.1 5,-0.1 -0.628 93.4 -47.3-154.7-124.6 -3.7 66.5 59.2 44 54 A D > - 0 0 99 -2,-0.2 3,-2.2 1,-0.1 5,-0.1 -0.898 67.8 -90.2-131.4 109.0 -1.9 69.7 60.2 45 55 A F T >> S+ 0 0 39 -2,-0.4 4,-2.8 -5,-0.4 3,-2.5 -0.054 120.5 35.7 35.1 -97.0 1.9 69.7 60.9 46 56 A F H 3> S+ 0 0 22 1,-0.3 4,-0.6 2,-0.2 -1,-0.3 0.654 118.1 56.4 -57.0 -17.3 2.3 69.1 64.7 47 57 A S H <4 S+ 0 0 60 -3,-2.2 -1,-0.3 2,-0.2 -2,-0.2 0.563 112.8 39.1 -90.3 -14.8 -0.7 66.7 64.5 48 58 A T H X4 S+ 0 0 11 -3,-2.5 3,-1.5 -4,-0.1 7,-0.2 0.679 106.2 68.4 -97.8 -30.6 1.1 64.6 61.7 49 59 A C H 3< S+ 0 0 2 -4,-2.8 6,-0.2 1,-0.2 -2,-0.2 0.794 84.4 71.5 -49.8 -38.9 4.5 65.0 63.5 50 60 A R T 3< S+ 0 0 125 -4,-0.6 -1,-0.2 -5,-0.2 -2,-0.1 0.595 82.6 85.0 -61.0 -13.6 3.2 62.8 66.4 51 61 A S <> - 0 0 51 -3,-1.5 4,-2.1 1,-0.1 5,-0.2 -0.841 64.8-157.1-100.0 112.9 3.4 59.7 64.1 52 62 A P H > S+ 0 0 29 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.875 95.6 52.7 -49.9 -43.9 6.8 57.9 63.8 53 63 A E H > S+ 0 0 98 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.890 109.0 50.6 -62.7 -38.8 5.8 56.4 60.4 54 64 A A H > S+ 0 0 15 -3,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.941 112.1 44.8 -64.0 -50.4 4.9 59.8 59.0 55 65 A C H X S+ 0 0 5 -4,-2.1 4,-2.3 -7,-0.2 19,-0.4 0.885 112.3 53.5 -64.1 -40.3 8.1 61.5 60.1 56 66 A C H X S+ 0 0 1 -4,-2.4 4,-2.1 -5,-0.2 -2,-0.2 0.949 109.3 48.7 -53.3 -51.3 10.1 58.5 58.7 57 67 A E H X S+ 0 0 67 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.894 111.4 48.7 -60.2 -44.4 8.3 58.8 55.3 58 68 A L H < S+ 0 0 0 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.883 110.2 52.7 -62.6 -41.2 9.0 62.6 55.1 59 69 A T H < S+ 0 0 1 -4,-2.3 4,-0.4 1,-0.2 13,-0.3 0.895 112.9 43.7 -58.4 -45.5 12.7 61.9 56.0 60 70 A L H >X S+ 0 0 24 -4,-2.1 4,-1.0 1,-0.2 3,-0.9 0.802 92.2 83.2 -73.5 -32.7 13.1 59.4 53.2 61 71 A Q H >X S+ 0 0 3 -4,-2.0 3,-1.5 1,-0.3 4,-0.9 0.865 91.1 46.8 -42.7 -58.9 11.3 61.2 50.5 62 72 A P H >> S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 3,-0.6 0.847 107.0 59.7 -53.9 -34.5 14.2 63.5 49.3 63 73 A L H <4 S+ 0 0 11 -3,-0.9 -2,-0.2 -4,-0.4 -3,-0.1 0.745 100.1 55.7 -68.5 -23.1 16.6 60.4 49.3 64 74 A R H << S+ 0 0 140 -3,-1.5 -1,-0.2 -4,-1.0 -3,-0.1 0.771 114.5 41.0 -76.5 -26.1 14.3 58.7 46.7 65 75 A R H << S+ 0 0 100 -4,-0.9 -2,-0.2 -3,-0.6 -1,-0.1 0.879 122.8 23.1 -85.7 -44.9 14.8 61.8 44.5 66 76 A F S < S- 0 0 14 -4,-2.6 2,-2.3 278,-0.0 -1,-0.2 -0.941 74.9-115.0-132.5 146.1 18.5 62.6 44.9 67 77 A P + 0 0 76 0, 0.0 -44,-0.2 0, 0.0 -4,-0.1 -0.367 49.8 175.3 -77.4 62.4 21.6 60.8 45.9 68 78 A L - 0 0 4 -2,-2.3 -44,-0.2 -6,-0.2 3,-0.0 -0.383 34.1-135.5 -69.6 146.1 22.1 63.0 49.1 69 79 A D S S+ 0 0 4 -46,-3.0 -60,-0.4 1,-0.1 2,-0.3 0.477 83.1 22.5 -90.8 1.3 24.9 61.9 51.3 70 80 A A - 0 0 0 -47,-0.5 2,-0.4 69,-0.2 -45,-0.2 -0.985 64.8-139.4-155.3 157.0 22.9 62.2 54.5 71 81 A A E -b 141 0A 0 69,-2.3 71,-3.0 -2,-0.3 2,-0.4 -0.901 15.5-152.5-107.1 147.1 19.3 62.2 55.7 72 82 A I E -b 142 0A 14 -2,-0.4 71,-0.2 -13,-0.3 -43,-0.1 -0.984 28.3-108.1-119.1 132.4 18.1 64.6 58.4 73 83 A I - 0 0 5 69,-2.3 2,-0.6 -2,-0.4 -17,-0.1 -0.301 33.0-119.7 -56.5 136.2 15.2 63.6 60.6 74 84 A F + 0 0 20 -19,-0.4 2,-0.2 53,-0.1 -15,-0.1 -0.740 64.0 115.2 -79.7 121.1 12.1 65.5 59.8 75 85 A S - 0 0 15 -2,-0.6 2,-0.3 -16,-0.0 70,-0.1 -0.782 58.7-106.8-156.5-165.4 11.0 67.5 62.9 76 86 A D > - 0 0 34 -2,-0.2 3,-1.4 68,-0.1 4,-0.2 -0.988 16.7-130.4-137.2 149.0 10.6 71.1 64.0 77 87 A I T > S+ 0 0 21 -2,-0.3 3,-1.0 1,-0.3 69,-0.4 0.728 104.6 70.7 -66.8 -19.3 12.8 73.1 66.3 78 88 A L T 3> S+ 0 0 6 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.558 72.4 85.2 -75.9 -6.0 9.6 74.2 68.1 79 89 A V H <> S+ 0 0 1 -3,-1.4 4,-2.6 2,-0.2 -1,-0.2 0.777 85.9 56.7 -64.5 -26.8 9.0 70.7 69.6 80 90 A V H <> S+ 0 0 0 -3,-1.0 4,-1.5 2,-0.2 -1,-0.2 0.966 108.8 42.0 -71.6 -55.9 11.3 71.5 72.5 81 91 A P H 4>S+ 0 0 0 0, 0.0 5,-2.1 0, 0.0 4,-0.2 0.908 116.5 52.2 -55.5 -42.9 9.4 74.7 73.8 82 92 A Q H ><5S+ 0 0 35 -4,-2.2 3,-2.0 1,-0.2 -2,-0.2 0.954 108.5 48.7 -54.4 -51.6 6.2 72.7 73.1 83 93 A A H 3<5S+ 0 0 4 -4,-2.6 -1,-0.2 1,-0.3 -3,-0.2 0.749 105.5 60.6 -60.4 -23.9 7.6 69.7 75.2 84 94 A L T 3<5S- 0 0 0 -4,-1.5 28,-2.8 -3,-0.1 -1,-0.3 0.487 132.4 -90.7 -79.9 -6.5 8.4 72.4 77.9 85 95 A G T < 5S+ 0 0 28 -3,-2.0 2,-0.4 1,-0.3 -3,-0.2 0.534 81.2 134.2 110.0 9.1 4.7 73.3 78.1 86 96 A M < - 0 0 2 -5,-2.1 2,-0.4 1,-0.0 -1,-0.3 -0.748 51.9-126.8 -88.4 138.7 4.1 76.0 75.5 87 97 A E - 0 0 133 -2,-0.4 13,-0.4 13,-0.2 2,-0.4 -0.687 21.0-158.1 -85.4 132.2 1.1 75.7 73.2 88 98 A V - 0 0 20 -2,-0.4 2,-0.4 10,-0.2 10,-0.2 -0.895 3.6-163.6-109.6 136.2 1.6 75.9 69.5 89 99 A T E -H 97 0B 67 8,-2.6 8,-1.8 -2,-0.4 2,-0.9 -0.950 16.9-136.5-115.5 147.0 -1.1 76.8 66.9 90 100 A M E -H 96 0B 49 -2,-0.4 3,-0.0 6,-0.2 -2,-0.0 -0.811 17.2-149.0-109.5 89.5 -0.6 76.1 63.2 91 101 A V E >> -H 95 0B 56 4,-1.3 4,-1.5 -2,-0.9 3,-1.1 -0.383 34.6 -98.3 -61.7 128.1 -1.8 79.2 61.3 92 102 A P T 34 S- 0 0 122 0, 0.0 -1,-0.1 0, 0.0 -48,-0.0 -0.303 101.3 -20.8 -56.7 95.5 -3.2 78.1 57.8 93 103 A G T 34 S+ 0 0 77 -2,-0.8 -2,-0.1 -3,-0.0 -3,-0.0 0.243 125.5 90.1 86.7 -10.3 -0.2 78.7 55.5 94 104 A K T <4 S- 0 0 172 -3,-1.1 -3,-0.1 1,-0.2 -4,-0.0 0.561 89.1-121.8 -96.9 -10.5 1.3 81.2 58.1 95 105 A G E < -H 91 0B 23 -4,-1.5 -4,-1.3 2,-0.1 -1,-0.2 -0.006 41.2 -36.7 96.3 164.9 3.4 78.6 60.0 96 106 A P E +H 90 0B 38 0, 0.0 2,-0.3 0, 0.0 -6,-0.2 -0.328 66.4 169.7 -63.3 140.6 3.8 77.3 63.6 97 107 A S E -H 89 0B 36 -8,-1.8 -8,-2.6 62,-0.1 62,-0.2 -0.986 39.9-122.2-154.5 148.6 3.4 80.0 66.3 98 108 A F - 0 0 5 60,-3.3 -10,-0.2 -2,-0.3 -8,-0.0 -0.904 18.6-169.8 -98.1 107.8 3.0 80.6 70.1 99 109 A P S S+ 0 0 57 0, 0.0 -1,-0.1 0, 0.0 -11,-0.1 0.761 88.9 40.2 -68.0 -24.6 -0.3 82.4 70.6 100 110 A E S S- 0 0 110 -13,-0.4 -13,-0.2 -3,-0.1 58,-0.1 -0.640 85.3-176.2-122.1 76.4 0.7 83.0 74.2 101 111 A P - 0 0 25 0, 0.0 2,-0.3 0, 0.0 55,-0.2 -0.147 39.5 -88.6 -62.6 162.1 4.4 83.8 74.1 102 112 A L + 0 0 0 53,-2.9 3,-0.1 1,-0.1 -4,-0.0 -0.596 52.2 166.4 -70.6 129.5 6.5 84.4 77.3 103 113 A R + 0 0 103 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.688 54.9 18.9-123.1 -26.2 6.2 88.1 78.2 104 114 A E S > S- 0 0 104 73,-0.0 3,-1.6 1,-0.0 4,-0.3 -0.916 84.5 -94.1-140.5 172.9 7.5 88.5 81.7 105 115 A E G > S+ 0 0 112 -2,-0.3 3,-1.4 1,-0.3 4,-0.2 0.787 118.8 62.4 -56.0 -30.3 9.7 86.7 84.3 106 116 A Q G > S+ 0 0 123 1,-0.3 3,-2.0 2,-0.2 -1,-0.3 0.804 87.3 72.2 -69.3 -28.7 6.6 85.1 85.9 107 117 A D G X S+ 0 0 33 -3,-1.6 3,-1.4 1,-0.3 -1,-0.3 0.666 79.3 76.2 -59.9 -18.6 5.7 83.3 82.6 108 118 A L G X S+ 0 0 10 -3,-1.4 3,-1.4 -4,-0.3 -1,-0.3 0.771 80.0 72.7 -63.6 -24.5 8.7 81.0 83.3 109 119 A E G < S+ 0 0 156 -3,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.691 85.0 65.2 -62.2 -23.3 6.5 79.2 85.9 110 120 A R G < S+ 0 0 99 -3,-1.4 -1,-0.3 -4,-0.2 -2,-0.2 0.676 83.9 99.4 -72.9 -19.9 4.4 77.6 83.1 111 121 A L S < S- 0 0 21 -3,-1.4 -26,-0.2 -4,-0.3 -27,-0.1 -0.410 74.4-119.3 -77.7 142.2 7.4 75.5 81.9 112 122 A R - 0 0 103 -28,-2.8 -1,-0.1 1,-0.1 5,-0.1 -0.343 43.6 -86.5 -66.6 156.1 8.0 71.9 82.8 113 123 A D > - 0 0 102 1,-0.2 3,-2.4 2,-0.0 4,-0.3 -0.531 39.7-127.8 -59.0 127.1 11.2 70.9 84.6 114 124 A P G > S+ 0 0 16 0, 0.0 3,-1.4 0, 0.0 4,-0.4 0.759 103.2 74.9 -55.6 -22.5 13.7 70.4 81.7 115 125 A E G 3 S+ 0 0 159 1,-0.3 4,-0.2 2,-0.1 3,-0.1 0.642 95.5 48.2 -64.9 -16.3 14.4 66.9 83.1 116 126 A V G <> S+ 0 0 61 -3,-2.4 4,-1.2 1,-0.1 -1,-0.3 0.451 84.5 91.7-104.1 -1.7 11.1 65.6 81.8 117 127 A V H <> S+ 0 0 0 -3,-1.4 4,-1.1 -4,-0.3 3,-0.2 0.867 80.2 57.1 -61.8 -41.5 11.4 66.9 78.3 118 128 A A H >4 S+ 0 0 22 -4,-0.4 3,-0.8 1,-0.2 -1,-0.2 0.910 106.0 50.7 -58.6 -43.2 13.0 63.8 76.8 119 129 A S H >4 S+ 0 0 93 1,-0.3 3,-0.8 -4,-0.2 -1,-0.2 0.801 106.9 54.6 -67.5 -29.1 10.2 61.6 77.9 120 130 A E H 3< S+ 0 0 66 -4,-1.2 3,-0.3 -3,-0.2 -1,-0.3 0.744 107.3 52.6 -68.4 -24.3 7.7 64.1 76.3 121 131 A L T XX + 0 0 1 -4,-1.1 4,-1.4 -3,-0.8 3,-1.2 0.070 67.1 122.5-106.2 21.6 9.6 63.7 73.0 122 132 A G H <> + 0 0 18 -3,-0.8 4,-2.7 1,-0.3 5,-0.2 0.844 68.8 63.2 -48.7 -41.5 9.5 59.8 72.8 123 133 A Y H 3> S+ 0 0 21 -3,-0.3 4,-1.9 1,-0.2 -1,-0.3 0.830 101.2 51.8 -57.4 -35.2 7.8 60.0 69.4 124 134 A V H <> S+ 0 0 6 -3,-1.2 4,-1.9 2,-0.2 -1,-0.2 0.940 109.0 49.0 -65.9 -48.2 10.8 61.8 68.0 125 135 A F H X S+ 0 0 38 -4,-1.4 4,-2.6 1,-0.2 3,-0.3 0.940 111.3 50.7 -55.4 -46.4 13.1 59.0 69.3 126 136 A Q H X S+ 0 0 112 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.865 108.6 51.8 -59.8 -38.5 10.8 56.4 67.8 127 137 A A H X S+ 0 0 2 -4,-1.9 4,-2.2 -5,-0.2 -1,-0.2 0.838 110.0 49.9 -68.3 -31.6 10.9 58.2 64.4 128 138 A I H X S+ 0 0 0 -4,-1.9 4,-2.8 -3,-0.3 -2,-0.2 0.947 110.9 47.3 -71.2 -48.8 14.7 58.2 64.5 129 139 A T H X S+ 0 0 53 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.921 114.9 47.4 -55.1 -49.4 15.0 54.4 65.3 130 140 A L H X S+ 0 0 38 -4,-2.1 4,-3.0 -5,-0.2 -1,-0.2 0.943 113.3 46.8 -57.3 -54.4 12.5 53.6 62.5 131 141 A T H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.882 111.4 51.8 -56.9 -41.4 14.2 55.9 60.0 132 142 A R H X>S+ 0 0 44 -4,-2.8 5,-0.6 2,-0.2 4,-0.6 0.910 113.1 45.7 -63.8 -42.1 17.6 54.5 60.9 133 143 A Q H ><5S+ 0 0 99 -4,-2.3 3,-0.8 -5,-0.2 -2,-0.2 0.933 114.6 47.3 -64.4 -46.3 16.3 50.9 60.4 134 144 A R H 3<5S+ 0 0 123 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.808 105.2 57.2 -71.8 -30.4 14.5 51.8 57.1 135 145 A L H ><5S- 0 0 12 -4,-2.4 3,-2.0 -5,-0.2 -1,-0.3 0.726 91.8-155.4 -68.2 -20.8 17.5 53.6 55.6 136 146 A A T <<5 - 0 0 53 -3,-0.8 -3,-0.1 -4,-0.6 -133,-0.1 0.791 64.2 -53.3 44.9 42.6 19.4 50.3 56.1 137 147 A G T 3 - 0 0 0 60,-3.0 4,-2.8 -2,-0.2 5,-0.3 -0.429 33.4-105.4 -77.6 151.5 20.0 76.4 69.9 148 158 A P H > S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.874 118.4 45.0 -47.2 -52.4 19.0 77.9 73.3 149 159 A W H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.945 114.4 49.8 -61.0 -45.5 19.0 81.6 72.2 150 160 A T H > S+ 0 0 0 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.926 111.3 48.6 -58.0 -43.1 17.1 80.7 69.0 151 161 A L H X S+ 0 0 0 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.892 109.4 54.2 -65.6 -37.0 14.6 78.7 71.0 152 162 A M H X S+ 0 0 0 -4,-2.4 4,-2.3 -5,-0.3 5,-0.3 0.904 103.2 55.7 -60.8 -41.8 14.3 81.7 73.4 153 163 A T H X S+ 0 0 0 -4,-2.3 4,-3.4 1,-0.2 5,-0.4 0.939 109.7 45.6 -58.9 -47.2 13.5 84.1 70.5 154 164 A Y H X S+ 0 0 47 -4,-1.7 4,-2.0 1,-0.2 -56,-0.2 0.895 113.0 50.5 -59.9 -43.6 10.6 82.0 69.3 155 165 A M H < S+ 0 0 0 -4,-2.0 -53,-2.9 2,-0.2 -1,-0.2 0.827 120.6 34.1 -65.0 -35.9 9.2 81.6 72.9 156 166 A V H < S+ 0 0 0 -4,-2.3 -2,-0.2 -55,-0.2 -3,-0.2 0.888 123.5 41.7 -88.2 -46.9 9.4 85.3 73.6 157 167 A E H < S- 0 0 31 -4,-3.4 -3,-0.2 -5,-0.3 -2,-0.2 0.817 100.3-131.5 -69.5 -30.7 8.5 86.8 70.2 158 168 A G S < S- 0 0 5 -4,-2.0 -60,-3.3 -5,-0.4 2,-0.2 0.046 73.4 -26.7 97.4 -21.2 5.8 84.1 69.7 159 169 A G S S+ 0 0 10 -6,-0.3 -2,-0.2 -62,-0.2 -1,-0.2 -0.820 111.3 5.8 179.3-139.5 7.2 83.4 66.2 160 170 A G + 0 0 69 -2,-0.2 2,-0.3 -3,-0.1 -1,-0.1 -0.273 55.3 174.4 -71.3 153.3 9.2 85.2 63.5 161 171 A S - 0 0 37 1,-0.1 -4,-0.0 -3,-0.1 -3,-0.0 -0.984 32.2-151.0-156.9 147.0 10.7 88.7 63.9 162 172 A S S S+ 0 0 111 -2,-0.3 -1,-0.1 1,-0.0 -2,-0.0 0.683 102.5 23.5 -92.1 -19.1 12.9 91.1 61.9 163 173 A T S S- 0 0 81 0, 0.0 5,-0.1 0, 0.0 -1,-0.0 0.698 82.1-142.1-112.7 -28.9 14.4 92.9 65.0 164 174 A M > + 0 0 0 3,-0.1 4,-3.3 4,-0.1 5,-0.3 0.782 47.2 153.5 59.3 32.0 14.0 90.4 67.9 165 175 A A H > + 0 0 54 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.877 66.8 46.4 -60.6 -41.9 13.2 93.6 69.8 166 176 A Q H > S+ 0 0 67 2,-0.2 4,-1.6 3,-0.2 -1,-0.2 0.931 115.8 46.2 -64.8 -46.3 11.1 91.8 72.4 167 177 A A H > S+ 0 0 0 2,-0.2 4,-1.4 1,-0.2 3,-0.4 0.955 116.1 43.8 -62.4 -51.3 13.7 89.0 72.8 168 178 A K H X S+ 0 0 59 -4,-3.3 4,-2.1 1,-0.2 5,-0.2 0.801 105.5 63.5 -64.7 -31.7 16.7 91.5 73.1 169 179 A R H X>S+ 0 0 126 -4,-2.1 4,-3.5 -5,-0.3 5,-0.5 0.911 102.4 51.0 -53.6 -44.2 14.6 93.6 75.4 170 180 A W H X5S+ 0 0 0 -4,-1.6 4,-2.0 -3,-0.4 8,-0.3 0.900 107.7 52.7 -58.1 -43.8 14.7 90.6 77.8 171 181 A L H <5S+ 0 0 4 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.903 121.0 31.5 -60.8 -40.7 18.5 90.4 77.4 172 182 A Y H <5S+ 0 0 166 -4,-2.1 -2,-0.2 2,-0.1 -1,-0.2 0.863 132.2 30.7 -86.1 -41.0 18.9 94.1 78.4 173 183 A Q H <5S+ 0 0 112 -4,-3.5 -3,-0.2 -5,-0.2 -2,-0.2 0.809 132.3 29.4 -88.5 -35.3 16.0 94.6 80.8 174 184 A R X< + 0 0 65 -4,-2.0 4,-2.2 -5,-0.5 5,-0.2 -0.450 68.0 153.3-124.3 58.4 15.7 91.0 82.3 175 185 A P H > S+ 0 0 56 0, 0.0 4,-2.2 0, 0.0 -1,-0.1 0.830 74.6 47.4 -60.9 -38.1 19.3 89.6 82.2 176 186 A Q H > S+ 0 0 171 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.905 113.7 46.3 -69.3 -44.4 18.9 87.2 85.1 177 187 A A H > S+ 0 0 4 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.815 111.6 53.5 -66.2 -35.5 15.5 85.8 83.9 178 188 A S H X S+ 0 0 0 -4,-2.2 4,-3.0 -8,-0.3 5,-0.2 0.952 108.6 48.4 -61.5 -52.3 17.0 85.4 80.4 179 189 A H H X S+ 0 0 67 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.894 112.4 50.0 -54.2 -40.3 19.9 83.5 81.9 180 190 A Q H X S+ 0 0 97 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.950 112.1 46.6 -65.0 -49.6 17.4 81.3 83.8 181 191 A L H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.911 112.3 50.7 -54.2 -45.8 15.3 80.7 80.6 182 192 A L H X S+ 0 0 0 -4,-3.0 4,-2.2 2,-0.2 -1,-0.2 0.838 109.6 50.7 -66.1 -33.6 18.5 79.9 78.6 183 193 A R H X S+ 0 0 92 -4,-2.0 4,-3.4 -5,-0.2 -2,-0.2 0.928 108.9 51.1 -67.4 -46.3 19.6 77.4 81.3 184 194 A I H X S+ 0 0 24 -4,-2.4 4,-1.4 2,-0.2 -2,-0.2 0.939 111.8 47.8 -53.4 -49.1 16.2 75.6 81.2 185 195 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 3,-0.4 0.923 113.9 46.9 -59.7 -45.5 16.5 75.4 77.4 186 196 A T H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.932 110.2 52.7 -59.1 -50.7 20.1 74.0 77.7 187 197 A D H < S+ 0 0 56 -4,-3.4 -1,-0.2 1,-0.2 -2,-0.2 0.712 114.3 43.9 -60.1 -22.9 19.0 71.5 80.4 188 198 A A H X S+ 0 0 0 -4,-1.4 4,-1.5 -3,-0.4 -1,-0.2 0.815 110.7 53.0 -88.6 -36.0 16.2 70.3 78.1 189 199 A L H X S+ 0 0 0 -4,-2.4 4,-3.3 2,-0.2 5,-0.2 0.846 100.5 61.3 -68.4 -37.0 18.3 70.1 74.9 190 200 A V H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 5,-0.2 0.958 109.9 38.3 -61.9 -57.1 21.1 68.0 76.4 191 201 A P H > S+ 0 0 20 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.865 116.5 54.2 -60.9 -33.6 18.8 65.0 77.3 192 202 A Y H X S+ 0 0 3 -4,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.954 112.2 42.9 -62.9 -47.4 16.8 65.4 74.0 193 203 A L H X S+ 0 0 2 -4,-3.3 4,-1.6 2,-0.2 -1,-0.2 0.874 113.6 50.1 -68.4 -40.9 20.0 65.3 71.9 194 204 A V H X S+ 0 0 19 -4,-2.4 4,-2.9 -5,-0.2 5,-0.2 0.938 110.1 53.3 -59.6 -45.4 21.5 62.4 73.8 195 205 A G H X S+ 0 0 14 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.873 104.3 54.7 -56.3 -40.8 18.1 60.6 73.3 196 206 A Q H X>S+ 0 0 0 -4,-1.9 5,-2.8 2,-0.2 4,-0.6 0.895 111.5 44.7 -60.6 -40.3 18.3 61.2 69.5 197 207 A V H ><5S+ 0 0 15 -4,-1.6 3,-1.2 3,-0.2 -2,-0.2 0.940 111.2 51.3 -68.4 -51.0 21.7 59.5 69.5 198 208 A V H 3<5S+ 0 0 87 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.862 110.1 52.9 -50.3 -37.7 20.6 56.6 71.7 199 209 A A H 3<5S- 0 0 9 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.634 136.8 -81.2 -80.4 -14.7 17.7 56.2 69.3 200 210 A G T <<5S+ 0 0 1 -3,-1.2 -59,-0.3 -4,-0.6 -3,-0.2 0.429 74.9 146.5 136.4 -0.9 20.0 56.0 66.3 201 211 A A < - 0 0 3 -5,-2.8 -1,-0.3 -6,-0.1 -59,-0.2 -0.412 27.4-165.5 -65.5 136.4 21.2 59.5 65.1 202 212 A Q S S+ 0 0 20 -61,-3.3 2,-0.3 1,-0.2 -60,-0.2 0.365 71.7 17.4-107.7 -1.4 24.7 59.4 63.8 203 213 A A E -c 142 0A 0 -62,-0.8 -60,-3.2 43,-0.2 2,-0.4 -0.942 69.2-142.5-160.8 157.8 25.4 63.2 63.8 204 214 A L E -cd 143 248A 1 43,-2.3 45,-2.9 -2,-0.3 2,-0.5 -0.991 5.6-162.0-131.2 136.9 23.8 66.2 65.5 205 215 A Q E -cd 144 249A 1 -62,-2.2 -60,-1.8 -2,-0.4 2,-0.6 -0.967 5.5-157.4-118.6 126.7 23.1 69.7 64.3 206 216 A L E -cd 145 250A 3 43,-3.2 45,-2.5 -2,-0.5 2,-0.8 -0.899 16.1-147.5 -98.4 121.8 22.4 72.7 66.6 207 217 A F E +cd 146 251A 27 -62,-2.6 -60,-3.0 -2,-0.6 2,-0.7 -0.825 21.7 176.3 -97.3 108.7 20.5 75.4 64.7 208 218 A E E > + d 0 252A 0 43,-3.7 45,-1.5 -2,-0.8 3,-0.9 -0.731 17.5 158.4-105.2 76.2 21.3 79.0 65.9 209 219 A S T 3 + 0 0 15 -2,-0.7 3,-0.3 1,-0.2 -1,-0.2 0.721 68.2 50.1 -71.8 -23.9 19.2 80.7 63.2 210 220 A H T > S+ 0 0 22 1,-0.2 3,-0.6 -3,-0.2 4,-0.3 -0.030 73.7 110.4-112.7 29.4 18.7 83.9 65.1 211 221 A A G X + 0 0 0 -3,-0.9 3,-2.1 42,-0.3 -1,-0.2 0.876 65.9 67.6 -61.1 -43.7 22.4 84.6 66.0 212 222 A G G 3 S+ 0 0 31 41,-1.2 -1,-0.2 -3,-0.3 42,-0.1 0.598 86.1 66.8 -69.8 -15.5 22.7 87.5 63.7 213 223 A H G < S+ 0 0 52 -3,-0.6 2,-0.3 2,-0.1 -1,-0.3 0.710 94.0 72.0 -72.3 -24.2 20.4 89.8 65.6 214 224 A L S < S- 0 0 2 -3,-2.1 -50,-0.0 -4,-0.3 -46,-0.0 -0.709 77.5-140.7 -88.8 141.8 22.9 89.8 68.5 215 225 A G > - 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