==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 03-OCT-03 1R3W . COMPND 2 MOLECULE: UROPORPHYRINOGEN DECARBOXYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.D.PHILLIPS,F.G.WHITBY,J.P.KUSHNER,C.P.HILL . 356 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14892.0 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 . 14 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 134 37.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.2 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 2 2 1 1 2 1 1 0 0 0 2 1 0 2 0 0 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 . 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 0 106 0, 0.0 132,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 156.8 21.0 48.5 65.8 2 12 A P - 0 0 40 0, 0.0 135,-0.2 0, 0.0 2,-0.1 -0.239 360.0 -96.6 -58.1 146.1 22.1 47.8 62.2 3 13 A E - 0 0 170 133,-0.1 2,-0.2 1,-0.1 0, 0.0 -0.429 42.2-106.5 -66.4 139.1 25.8 48.4 61.5 4 14 A L - 0 0 40 1,-0.1 3,-0.2 -2,-0.1 134,-0.2 -0.519 34.0-175.9 -70.5 129.7 26.5 51.8 59.9 5 15 A K S S+ 0 0 172 132,-3.3 2,-0.7 1,-0.3 133,-0.2 0.865 74.5 36.1 -92.3 -50.3 27.4 51.5 56.2 6 16 A N + 0 0 39 132,-0.9 -1,-0.3 131,-0.8 3,-0.2 -0.923 61.5 161.2-110.0 104.2 28.2 55.1 55.2 7 17 A D >> + 0 0 69 -2,-0.7 4,-2.4 -3,-0.2 3,-0.6 0.136 34.6 117.8-107.4 19.4 30.0 56.8 58.1 8 18 A T H 3> S+ 0 0 13 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.871 73.7 54.6 -55.3 -43.6 31.5 59.7 56.1 9 19 A F H 3> S+ 0 0 0 60,-0.5 4,-2.0 1,-0.2 -1,-0.3 0.880 110.7 45.7 -58.3 -42.1 29.6 62.3 58.0 10 20 A L H <> S+ 0 0 28 -3,-0.6 4,-2.1 2,-0.2 -2,-0.2 0.937 111.4 50.7 -70.1 -45.7 30.9 61.0 61.3 11 21 A R H <>S+ 0 0 67 -4,-2.4 5,-2.6 1,-0.2 4,-0.5 0.938 112.8 47.4 -56.5 -46.1 34.5 60.7 60.2 12 22 A A H ><5S+ 0 0 2 -4,-2.6 3,-1.1 3,-0.2 -1,-0.2 0.881 108.3 55.7 -61.5 -40.4 34.3 64.3 58.9 13 23 A A H 3<5S+ 0 0 2 -4,-2.0 277,-0.3 1,-0.3 -1,-0.2 0.885 107.8 48.0 -62.0 -37.0 32.7 65.5 62.2 14 24 A W T 3<5S- 0 0 118 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.549 124.2-108.2 -81.2 -5.6 35.6 64.1 64.2 15 25 A G T < 5 + 0 0 24 -3,-1.1 -3,-0.2 -4,-0.5 2,-0.2 0.606 68.0 146.0 91.9 16.8 38.0 65.8 61.7 16 26 A E < - 0 0 97 -5,-2.6 -1,-0.3 -6,-0.2 306,-0.2 -0.467 55.6 -98.4 -84.1 154.9 39.3 62.8 59.9 17 27 A E - 0 0 110 -2,-0.2 2,-0.3 304,-0.1 -1,-0.1 -0.459 44.3-172.9 -68.9 141.9 40.2 62.8 56.2 18 28 A T - 0 0 14 302,-0.2 3,-0.0 -2,-0.1 -9,-0.0 -0.941 35.3-117.8-133.5 163.6 37.5 61.4 53.9 19 29 A D S S+ 0 0 122 -2,-0.3 2,-0.3 1,-0.0 336,-0.2 0.628 97.7 5.8 -75.2 -20.3 37.2 60.6 50.2 20 30 A Y S S- 0 0 27 300,-0.1 328,-0.1 334,-0.1 329,-0.1 -0.947 87.6 -92.2-152.8 170.5 34.5 63.2 49.5 21 31 A T - 0 0 0 326,-0.4 330,-0.1 -2,-0.3 303,-0.1 -0.791 40.8-133.1 -92.6 124.4 32.8 65.9 51.5 22 32 A P - 0 0 0 0, 0.0 303,-2.3 0, 0.0 2,-0.4 -0.454 25.3-164.5 -77.5 152.5 29.6 64.7 53.2 23 33 A V B +a 325 0A 0 301,-0.2 46,-2.8 44,-0.2 47,-0.4 -0.993 19.9 159.9-140.7 140.4 26.5 66.8 52.9 24 34 A W - 0 0 0 301,-1.7 2,-0.4 -2,-0.4 303,-0.2 -0.939 28.2-128.1-144.5 172.0 23.1 67.2 54.4 25 35 A C > - 0 0 0 -2,-0.3 3,-1.6 45,-0.2 4,-0.2 -0.973 19.0-119.4-125.9 130.0 20.6 70.0 54.5 26 36 A M T 3 S+ 0 0 7 -2,-0.4 305,-2.2 303,-0.4 303,-0.1 -0.364 105.4 16.8 -59.0 140.9 18.8 71.7 57.4 27 37 A R T 3 S+ 0 0 142 303,-0.3 -1,-0.3 2,-0.1 303,-0.0 0.788 77.6 148.7 55.3 36.0 15.0 71.2 57.0 28 38 A Q S < S+ 0 0 2 -3,-1.6 2,-0.9 1,-0.2 -2,-0.1 0.826 70.5 58.9 -63.0 -32.6 15.6 68.4 54.5 29 39 A A S S+ 0 0 15 -4,-0.2 2,-0.3 43,-0.1 -1,-0.2 -0.891 95.8 117.9 -90.4 101.6 12.4 66.9 55.8 30 40 A G S > S- 0 0 8 -2,-0.9 3,-2.1 28,-0.1 6,-0.3 -0.972 80.7 -81.2-163.4 174.0 10.3 70.0 55.0 31 41 A R T 3 S+ 0 0 133 1,-0.3 6,-0.2 -2,-0.3 301,-0.1 0.574 108.0 78.1 -66.4 -15.1 7.5 71.6 53.1 32 42 A Y T 3 S+ 0 0 4 299,-0.1 -1,-0.3 304,-0.1 3,-0.1 0.695 84.5 78.6 -65.6 -19.4 9.5 72.0 49.8 33 43 A L S X> S- 0 0 0 -3,-2.1 4,-1.8 1,-0.2 3,-0.7 -0.818 74.8-150.1 -90.8 121.6 8.7 68.2 49.4 34 44 A P H 3> S+ 0 0 59 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.910 100.1 55.2 -54.5 -40.9 5.2 67.5 48.1 35 45 A E H 3> S+ 0 0 50 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.797 102.8 55.8 -66.2 -29.3 5.3 64.2 50.0 36 46 A F H <> S+ 0 0 13 -3,-0.7 4,-2.4 -6,-0.3 -1,-0.2 0.940 107.8 48.7 -63.3 -46.5 6.1 66.0 53.2 37 47 A R H X S+ 0 0 125 -4,-1.8 4,-1.9 -7,-0.2 -2,-0.2 0.929 111.2 50.6 -62.2 -42.0 3.0 68.2 52.8 38 48 A E H X S+ 0 0 159 -4,-2.2 4,-0.7 2,-0.2 -1,-0.2 0.935 111.8 45.1 -61.1 -48.6 0.8 65.1 52.1 39 49 A T H >< S+ 0 0 41 -4,-2.1 3,-0.6 1,-0.2 4,-0.5 0.887 114.4 51.2 -64.3 -36.7 2.0 63.1 55.2 40 50 A R H 3< S+ 0 0 46 -4,-2.4 3,-0.5 1,-0.2 -1,-0.2 0.816 93.2 71.3 -69.0 -30.4 1.5 66.3 57.3 41 51 A A H 3< S+ 0 0 85 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.830 88.1 69.1 -60.2 -27.5 -2.0 66.9 56.1 42 52 A A S << S+ 0 0 83 -4,-0.7 -1,-0.2 -3,-0.6 2,-0.2 0.944 110.9 11.0 -49.8 -59.2 -3.1 63.8 58.2 43 53 A Q S S- 0 0 63 -3,-0.5 2,-0.1 -4,-0.5 3,-0.0 -0.580 85.7 -90.7-114.5 176.2 -2.5 65.4 61.6 44 54 A D > - 0 0 106 -2,-0.2 4,-2.1 1,-0.1 5,-0.2 -0.483 53.0 -97.5 -78.3 163.9 -1.7 68.8 63.3 45 55 A F H > S+ 0 0 26 1,-0.2 4,-1.8 2,-0.2 3,-0.2 0.889 120.4 40.5 -55.2 -55.4 2.0 69.7 63.7 46 56 A F H > S+ 0 0 12 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.806 113.7 56.5 -70.4 -23.9 2.7 68.7 67.3 47 57 A S H 4 S+ 0 0 46 2,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.858 105.0 51.6 -71.7 -35.1 0.5 65.5 66.8 48 58 A T H >< S+ 0 0 0 -4,-2.1 3,-1.8 1,-0.2 7,-0.4 0.931 106.3 55.1 -60.6 -44.0 2.8 64.5 63.9 49 59 A C H 3< S+ 0 0 1 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.776 104.7 54.6 -61.9 -27.0 5.8 65.0 66.2 50 60 A R T 3< S+ 0 0 123 -4,-0.9 -1,-0.3 -3,-0.2 -2,-0.2 0.364 90.6 84.2 -90.0 3.4 4.1 62.5 68.7 51 61 A S <> - 0 0 34 -3,-1.8 4,-2.6 -4,-0.2 5,-0.2 -0.925 62.3-160.6-107.8 108.2 3.8 59.7 66.1 52 62 A P H > S+ 0 0 29 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.911 92.9 49.9 -52.8 -42.6 7.0 57.6 65.7 53 63 A E H > S+ 0 0 101 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.899 110.9 48.2 -65.6 -42.1 5.9 56.3 62.4 54 64 A A H > S+ 0 0 15 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.943 113.3 47.8 -62.8 -43.7 5.0 59.7 61.0 55 65 A C H X S+ 0 0 1 -4,-2.6 4,-2.2 -7,-0.4 19,-0.5 0.897 112.1 49.5 -62.7 -45.2 8.4 61.1 62.2 56 66 A C H X S+ 0 0 2 -4,-2.5 4,-2.0 -5,-0.2 -1,-0.2 0.941 111.0 50.1 -57.6 -46.9 10.3 58.2 60.7 57 67 A E H X S+ 0 0 66 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.937 111.4 46.9 -60.7 -46.6 8.5 58.6 57.4 58 68 A L H < S+ 0 0 1 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.894 111.3 53.4 -63.5 -36.9 9.2 62.3 57.2 59 69 A T H < S+ 0 0 1 -4,-2.2 4,-0.5 -5,-0.2 13,-0.2 0.897 112.0 44.0 -63.1 -41.4 12.9 61.6 58.1 60 70 A L H >X S+ 0 0 27 -4,-2.0 4,-1.3 1,-0.2 3,-0.7 0.800 92.7 82.6 -77.7 -28.1 13.3 59.1 55.3 61 71 A Q H >X S+ 0 0 3 -4,-1.9 4,-0.9 1,-0.3 3,-0.8 0.876 92.1 46.1 -48.9 -51.8 11.5 61.0 52.5 62 72 A P H >> S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 3,-0.6 0.864 107.8 58.0 -60.1 -34.7 14.5 63.2 51.5 63 73 A L H <4 S+ 0 0 11 -3,-0.7 -2,-0.2 -4,-0.5 -3,-0.1 0.765 99.9 58.0 -67.4 -25.9 16.9 60.2 51.6 64 74 A R H << S+ 0 0 144 -4,-1.3 -1,-0.2 -3,-0.8 -3,-0.1 0.774 115.8 36.3 -72.4 -26.0 14.6 58.5 48.9 65 75 A R H << S+ 0 0 94 -4,-0.9 -2,-0.2 -3,-0.6 -1,-0.2 0.816 124.5 29.7 -90.1 -37.0 15.2 61.5 46.6 66 76 A F S < S- 0 0 10 -4,-2.4 2,-2.0 -5,-0.1 -1,-0.2 -0.969 72.3-121.9-135.1 143.0 18.8 62.4 47.4 67 77 A P + 0 0 74 0, 0.0 -44,-0.2 0, 0.0 -4,-0.1 -0.379 47.7 172.5 -80.0 59.6 22.0 60.6 48.5 68 78 A L - 0 0 3 -2,-2.0 -44,-0.2 -6,-0.2 3,-0.0 -0.396 35.4-135.3 -68.8 146.8 22.4 62.8 51.6 69 79 A D S S+ 0 0 3 -46,-2.8 -60,-0.5 -2,-0.1 2,-0.3 0.390 82.6 28.1 -91.6 3.8 25.1 61.6 54.0 70 80 A A - 0 0 0 -47,-0.4 2,-0.3 69,-0.2 -45,-0.2 -0.978 64.6-142.3-156.2 151.1 23.0 62.0 57.2 71 81 A A E -b 141 0A 0 69,-2.7 71,-3.0 -2,-0.3 2,-0.4 -0.854 13.9-152.6-103.3 150.5 19.4 61.9 58.3 72 82 A I E -b 142 0A 17 -2,-0.3 71,-0.2 -13,-0.2 -43,-0.1 -0.998 26.9-110.8-122.3 131.1 18.0 64.3 60.9 73 83 A I - 0 0 4 69,-2.3 2,-0.6 -2,-0.4 -17,-0.1 -0.296 30.7-115.7 -60.7 139.3 15.0 63.1 63.0 74 84 A F S S+ 0 0 17 -19,-0.5 2,-0.2 53,-0.1 -1,-0.1 -0.694 70.0 104.1 -75.6 120.0 11.8 64.9 62.3 75 85 A S - 0 0 12 -2,-0.6 2,-0.3 -3,-0.0 3,-0.1 -0.858 61.1-107.5-166.1-161.8 10.8 66.8 65.5 76 86 A D > - 0 0 21 -2,-0.2 3,-1.3 68,-0.1 4,-0.2 -0.996 15.0-127.0-145.8 150.1 10.9 70.5 66.6 77 87 A I T > S+ 0 0 25 -2,-0.3 3,-1.3 1,-0.2 69,-0.4 0.778 104.3 70.1 -64.4 -22.0 12.9 72.5 69.1 78 88 A L T 3> S+ 0 0 2 1,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.568 71.6 85.8 -80.6 0.1 9.7 73.7 70.7 79 89 A V H <> S+ 0 0 1 -3,-1.3 4,-2.3 1,-0.2 -1,-0.3 0.807 85.3 60.3 -64.0 -26.2 8.9 70.3 72.2 80 90 A V H <> S+ 0 0 0 -3,-1.3 4,-1.6 2,-0.2 -1,-0.2 0.976 104.9 42.6 -69.5 -55.4 11.2 71.3 75.2 81 91 A P H 4>S+ 0 0 0 0, 0.0 5,-2.1 0, 0.0 4,-0.2 0.865 115.8 53.5 -56.0 -34.9 9.3 74.4 76.4 82 92 A Q H ><5S+ 0 0 31 -4,-1.8 3,-1.8 1,-0.2 -2,-0.2 0.946 107.9 47.9 -61.7 -46.4 6.1 72.3 75.8 83 93 A A H 3<5S+ 0 0 6 -4,-2.3 -1,-0.2 1,-0.3 -3,-0.1 0.749 104.1 62.7 -70.8 -22.5 7.4 69.5 78.0 84 94 A L T 3<5S- 0 0 0 -4,-1.6 28,-2.5 -5,-0.1 -1,-0.3 0.510 130.7 -91.8 -76.9 -5.4 8.3 72.2 80.6 85 95 A G T < 5S+ 0 0 27 -3,-1.8 2,-0.3 1,-0.3 -3,-0.2 0.452 83.6 130.1 110.0 5.4 4.6 73.0 80.9 86 96 A M < - 0 0 4 -5,-2.1 2,-0.4 12,-0.0 -1,-0.3 -0.685 55.4-126.4 -88.8 141.6 4.0 75.7 78.4 87 97 A E - 0 0 140 -2,-0.3 13,-0.4 13,-0.2 2,-0.4 -0.763 33.2-178.3 -86.8 132.0 1.1 75.4 75.9 88 98 A V - 0 0 11 -2,-0.4 2,-0.2 10,-0.2 10,-0.2 -0.999 8.5-168.8-138.3 133.2 2.3 75.9 72.2 89 99 A T E -H 97 0B 61 8,-2.8 8,-2.1 -2,-0.4 2,-0.6 -0.728 25.2-134.2-114.7 161.6 0.4 76.0 68.9 90 100 A M E -H 96 0B 64 -2,-0.2 -45,-0.2 6,-0.2 5,-0.1 -0.876 35.5-145.6-112.1 90.0 1.4 75.9 65.2 91 101 A V E >> -H 95 0B 49 4,-1.9 3,-1.1 -2,-0.6 4,-0.8 -0.256 33.1 -86.9 -56.5 138.0 -0.9 78.7 63.9 92 102 A P T 34 S- 0 0 113 0, 0.0 -1,-0.2 0, 0.0 0, 0.0 -0.334 104.1 -25.3 -52.5 103.8 -2.3 78.1 60.3 93 103 A G T 34 S+ 0 0 86 -2,-0.4 -2,-0.1 -3,-0.1 -3,-0.0 0.456 127.2 86.2 68.4 2.2 0.5 79.6 58.1 94 104 A K T <4 S- 0 0 168 -3,-1.1 -3,-0.2 1,-0.3 -1,-0.1 0.102 86.4-130.1-121.1 21.4 1.7 82.0 60.9 95 105 A G E < -H 91 0B 25 -4,-0.8 -4,-1.9 -5,-0.1 -1,-0.3 0.045 50.2 -9.1 73.3-171.4 4.2 79.7 62.8 96 106 A P E -H 90 0B 39 0, 0.0 64,-0.4 0, 0.0 2,-0.3 -0.295 58.6-178.9 -70.1 144.9 4.6 78.8 66.5 97 107 A S E -H 89 0B 41 -8,-2.1 -8,-2.8 62,-0.1 62,-0.2 -0.998 24.6-161.4-143.8 139.5 2.8 80.6 69.2 98 108 A F - 0 0 4 60,-2.1 -10,-0.2 -2,-0.3 -12,-0.0 -0.960 12.9-162.2-110.9 106.8 2.7 80.5 73.0 99 109 A P S S+ 0 0 72 0, 0.0 -1,-0.1 0, 0.0 -11,-0.1 0.756 87.1 41.9 -64.7 -21.7 -0.5 82.2 74.0 100 110 A E S S- 0 0 112 -13,-0.4 -13,-0.2 -3,-0.1 58,-0.1 -0.674 83.6-175.9-123.2 77.0 0.7 82.7 77.5 101 111 A P - 0 0 26 0, 0.0 2,-0.5 0, 0.0 55,-0.2 -0.239 36.4 -95.6 -67.7 163.0 4.4 83.7 77.4 102 112 A L + 0 0 0 53,-2.5 3,-0.1 1,-0.2 56,-0.0 -0.674 54.8 154.9 -74.3 121.2 6.7 84.1 80.3 103 113 A R + 0 0 96 -2,-0.5 2,-0.3 1,-0.3 -1,-0.2 0.636 55.9 35.1-126.3 -23.6 6.7 87.8 81.2 104 114 A E S > S- 0 0 97 1,-0.1 3,-1.6 73,-0.0 4,-0.4 -0.877 82.8-106.6-129.7 165.2 7.5 88.1 84.9 105 115 A E G > S+ 0 0 104 -2,-0.3 3,-1.7 1,-0.3 4,-0.3 0.847 115.6 61.0 -54.0 -37.8 9.7 86.3 87.3 106 116 A Q G > S+ 0 0 122 1,-0.3 3,-1.6 2,-0.2 -1,-0.3 0.742 88.1 74.3 -66.1 -22.8 6.8 84.6 89.0 107 117 A D G X S+ 0 0 31 -3,-1.6 3,-1.5 1,-0.3 -1,-0.3 0.755 79.3 73.3 -63.5 -21.6 5.8 82.9 85.7 108 118 A L G X S+ 0 0 10 -3,-1.7 3,-1.6 -4,-0.4 -1,-0.3 0.777 80.8 74.1 -62.4 -21.1 8.8 80.6 86.2 109 119 A E G < S+ 0 0 158 -3,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.724 85.6 64.1 -64.2 -20.9 6.8 78.8 88.9 110 120 A R G < S+ 0 0 99 -3,-1.5 -1,-0.3 -4,-0.2 -2,-0.2 0.663 84.1 98.9 -77.5 -15.2 4.6 77.2 86.3 111 121 A L S < S- 0 0 20 -3,-1.6 -26,-0.2 -4,-0.2 -27,-0.1 -0.382 75.7-111.9 -79.3 148.5 7.4 75.2 84.8 112 122 A R - 0 0 96 -28,-2.5 -1,-0.1 1,-0.1 5,-0.1 -0.319 43.5 -88.4 -62.3 152.5 8.1 71.5 85.5 113 123 A D > - 0 0 91 1,-0.2 3,-2.0 2,-0.0 4,-0.4 -0.540 41.2-128.8 -55.3 128.3 11.2 70.5 87.3 114 124 A P G > S+ 0 0 17 0, 0.0 3,-1.2 0, 0.0 4,-0.5 0.792 102.8 69.8 -60.1 -25.1 13.7 70.1 84.4 115 125 A E G 3 S+ 0 0 145 1,-0.2 4,-0.2 2,-0.1 3,-0.1 0.658 97.2 51.1 -67.0 -15.6 14.7 66.6 85.6 116 126 A V G <> S+ 0 0 60 -3,-2.0 4,-1.2 1,-0.1 3,-0.3 0.501 84.9 89.3 -99.7 -3.2 11.3 65.3 84.6 117 127 A V H <> S+ 0 0 0 -3,-1.2 4,-0.8 -4,-0.4 3,-0.3 0.885 80.4 57.5 -62.2 -40.4 11.3 66.7 81.0 118 128 A A H >4 S+ 0 0 19 -4,-0.5 3,-1.2 1,-0.3 -1,-0.2 0.911 103.2 54.5 -62.7 -38.2 13.0 63.7 79.4 119 129 A S H >4 S+ 0 0 89 -3,-0.3 3,-0.9 1,-0.3 -1,-0.3 0.862 106.1 53.3 -61.6 -31.1 10.2 61.4 80.7 120 130 A E H 3< S+ 0 0 79 -4,-1.2 3,-0.3 -3,-0.3 -1,-0.3 0.633 105.6 55.3 -75.2 -14.2 7.7 63.8 79.0 121 131 A L T XX + 0 0 0 -3,-1.2 4,-1.4 -4,-0.8 3,-1.4 0.063 64.7 122.1-109.8 21.2 9.6 63.4 75.6 122 132 A G H <> + 0 0 21 -3,-0.9 4,-2.6 1,-0.3 5,-0.2 0.826 68.1 65.2 -48.4 -38.3 9.5 59.6 75.4 123 133 A Y H 3> S+ 0 0 18 -3,-0.3 4,-1.7 1,-0.2 -1,-0.3 0.813 99.7 50.6 -58.5 -33.2 7.7 60.0 72.0 124 134 A V H <> S+ 0 0 2 -3,-1.4 4,-2.1 2,-0.2 -1,-0.2 0.908 109.6 50.1 -70.5 -43.9 10.8 61.6 70.5 125 135 A F H X S+ 0 0 40 -4,-1.4 4,-2.6 1,-0.2 5,-0.2 0.909 109.6 52.2 -61.8 -40.1 13.0 58.8 71.8 126 136 A Q H X S+ 0 0 114 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.905 109.5 49.2 -61.3 -40.6 10.6 56.3 70.3 127 137 A A H X S+ 0 0 1 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.868 110.6 50.7 -63.9 -41.7 10.8 58.1 66.9 128 138 A I H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.947 111.4 46.8 -63.0 -46.5 14.6 58.0 67.1 129 139 A T H X S+ 0 0 53 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.946 114.4 47.3 -62.9 -47.3 14.8 54.3 67.8 130 140 A L H X S+ 0 0 35 -4,-2.2 4,-2.7 -5,-0.2 -1,-0.2 0.922 113.4 47.5 -60.1 -45.2 12.3 53.5 65.1 131 141 A T H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.904 109.9 52.8 -65.4 -40.9 14.1 55.7 62.5 132 142 A R H X>S+ 0 0 49 -4,-2.7 4,-0.8 2,-0.2 5,-0.6 0.898 112.5 45.8 -60.7 -41.0 17.5 54.2 63.4 133 143 A Q H ><5S+ 0 0 95 -4,-2.2 3,-0.7 -5,-0.2 -2,-0.2 0.948 114.7 46.3 -66.6 -47.3 16.1 50.7 62.9 134 144 A R H 3<5S+ 0 0 126 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.854 104.2 61.2 -68.4 -33.5 14.3 51.6 59.6 135 145 A L H ><5S- 0 0 11 -4,-2.6 3,-1.8 -5,-0.2 -1,-0.2 0.803 91.4-155.9 -61.0 -29.9 17.4 53.4 58.2 136 146 A A T <<5 - 0 0 55 -4,-0.8 -3,-0.1 -3,-0.7 -133,-0.1 0.818 62.6 -55.2 59.9 35.8 19.2 50.1 58.5 137 147 A G T 3 - 0 0 0 60,-2.4 4,-2.6 -2,-0.2 5,-0.3 -0.386 32.4-105.4 -74.6 154.9 20.0 76.1 72.7 148 158 A P H > S+ 0 0 1 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.905 116.9 46.7 -49.7 -51.1 18.9 77.7 76.0 149 159 A W H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.947 113.5 48.4 -60.8 -47.0 19.0 81.3 74.9 150 160 A T H > S+ 0 0 0 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.928 112.5 48.2 -62.1 -39.7 17.0 80.6 71.7 151 161 A L H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.922 108.5 55.6 -66.5 -37.5 14.4 78.6 73.7 152 162 A M H X S+ 0 0 0 -4,-2.7 4,-2.3 -5,-0.3 5,-0.3 0.896 102.9 56.5 -58.6 -40.4 14.2 81.4 76.2 153 163 A T H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 6,-0.4 0.906 108.5 45.9 -63.3 -39.8 13.3 83.8 73.3 154 164 A F H X S+ 0 0 24 -4,-1.5 4,-1.9 1,-0.2 -1,-0.2 0.905 113.0 50.6 -65.2 -40.8 10.4 81.7 72.3 155 165 A M H < S+ 0 0 0 -4,-2.1 -53,-2.5 2,-0.2 -2,-0.2 0.839 120.4 34.0 -66.1 -35.2 9.2 81.3 75.8 156 166 A V H < S+ 0 0 0 -4,-2.3 -2,-0.2 -55,-0.2 -3,-0.2 0.861 123.3 41.8 -89.8 -44.5 9.3 85.1 76.5 157 167 A E H < S- 0 0 32 -4,-2.8 -3,-0.2 -5,-0.3 -2,-0.2 0.799 97.4-134.7 -73.9 -29.8 8.4 86.5 73.2 158 168 A G S < S- 0 0 8 -4,-1.9 -60,-2.1 -5,-0.4 2,-0.3 0.580 75.8 -10.8 84.8 13.8 5.6 83.9 72.6 159 169 A G S S- 0 0 8 -6,-0.4 -2,-0.2 -62,-0.2 -1,-0.2 -0.964 110.1 -21.7 156.9-163.7 6.8 83.3 69.0 160 170 A G - 0 0 60 -64,-0.4 2,-0.3 -2,-0.3 3,-0.0 -0.259 53.8-175.9 -71.3 162.0 9.2 84.9 66.5 161 171 A S - 0 0 37 1,-0.1 -4,-0.0 -2,-0.0 -3,-0.0 -0.976 32.4-139.3-157.3 146.8 10.4 88.5 66.7 162 172 A S S S+ 0 0 113 -2,-0.3 -1,-0.1 1,-0.1 -2,-0.0 0.632 106.7 20.6 -84.0 -10.9 12.5 90.8 64.6 163 173 A T S S- 0 0 74 -3,-0.0 -1,-0.1 0, 0.0 5,-0.1 0.556 82.3-137.7-127.4 -17.8 14.2 92.3 67.7 164 174 A M > + 0 0 0 1,-0.1 4,-2.7 3,-0.1 5,-0.3 0.840 46.6 157.5 49.9 39.2 13.8 90.0 70.6 165 175 A A H > + 0 0 57 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.832 67.0 46.1 -64.9 -37.3 13.1 93.2 72.6 166 176 A Q H > S+ 0 0 80 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.928 115.1 45.3 -72.6 -42.7 11.2 91.4 75.4 167 177 A A H > S+ 0 0 0 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.894 115.5 47.3 -66.8 -39.8 13.7 88.6 75.9 168 178 A K H X S+ 0 0 61 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.852 106.0 58.4 -68.4 -34.0 16.6 91.1 75.8 169 179 A R H X>S+ 0 0 143 -4,-1.6 4,-3.0 -5,-0.3 5,-0.5 0.905 104.3 53.2 -61.6 -38.9 14.7 93.3 78.2 170 180 A W H X5S+ 0 0 5 -4,-1.8 4,-2.4 1,-0.2 8,-0.3 0.932 106.9 51.6 -57.1 -46.6 14.8 90.3 80.6 171 181 A L H <5S+ 0 0 4 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.894 119.4 34.4 -59.8 -41.4 18.6 90.0 80.1 172 182 A Y H <5S+ 0 0 163 -4,-2.1 -2,-0.2 2,-0.1 -1,-0.2 0.859 131.4 28.7 -81.5 -38.2 19.1 93.7 81.1 173 183 A Q H <5S+ 0 0 124 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.705 131.7 31.9 -97.8 -27.2 16.3 94.2 83.7 174 184 A R X< + 0 0 86 -4,-2.4 4,-2.5 -5,-0.5 5,-0.2 -0.461 65.6 152.2-127.5 57.9 16.0 90.7 85.1 175 185 A P H > S+ 0 0 55 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.887 76.1 49.1 -59.2 -40.4 19.5 89.1 84.9 176 186 A Q H > S+ 0 0 170 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.942 113.2 44.7 -64.4 -48.9 18.9 86.8 87.8 177 187 A A H > S+ 0 0 1 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.851 112.6 54.8 -63.6 -35.8 15.6 85.5 86.6 178 188 A S H X S+ 0 0 0 -4,-2.5 4,-2.9 -8,-0.3 5,-0.2 0.964 108.8 45.9 -60.6 -51.2 17.1 85.1 83.1 179 189 A H H X S+ 0 0 68 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.896 111.4 54.3 -58.2 -41.1 20.0 83.0 84.5 180 190 A Q H X S+ 0 0 94 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.947 112.2 43.2 -58.1 -47.7 17.4 81.0 86.5 181 191 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.923 112.7 51.7 -64.8 -44.5 15.4 80.3 83.3 182 192 A L H X S+ 0 0 0 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.887 110.7 49.5 -62.3 -35.4 18.6 79.5 81.2 183 193 A R H X S+ 0 0 91 -4,-2.6 4,-2.8 -5,-0.2 -1,-0.2 0.915 108.7 52.1 -68.1 -42.2 19.6 77.0 83.9 184 194 A I H X S+ 0 0 25 -4,-2.2 4,-1.5 1,-0.2 -2,-0.2 0.942 112.3 47.0 -55.4 -50.1 16.2 75.3 83.9 185 195 A L H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 3,-0.3 0.927 112.2 48.5 -60.2 -45.3 16.5 75.0 80.1 186 196 A T H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.919 110.7 51.5 -58.6 -48.0 20.1 73.6 80.3 187 197 A D H < S+ 0 0 53 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.748 114.3 44.1 -67.5 -21.7 19.0 71.1 83.0 188 198 A A H X S+ 0 0 0 -4,-1.5 4,-1.6 -3,-0.3 -2,-0.2 0.845 112.3 52.1 -82.3 -39.6 16.1 69.9 80.8 189 199 A L H X S+ 0 0 0 -4,-2.7 4,-3.0 -5,-0.2 5,-0.3 0.848 101.0 60.1 -67.8 -40.4 18.2 69.8 77.6 190 200 A V H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.969 110.0 39.0 -58.5 -58.1 21.0 67.7 79.0 191 201 A P H > S+ 0 0 19 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.855 116.6 54.0 -61.8 -31.9 18.9 64.6 79.9 192 202 A Y H X S+ 0 0 3 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.950 111.4 43.6 -65.3 -49.5 16.8 65.1 76.8 193 203 A L H X S+ 0 0 1 -4,-3.0 4,-1.6 2,-0.2 -1,-0.2 0.925 113.7 50.7 -63.8 -43.8 19.9 65.1 74.5 194 204 A V H X S+ 0 0 19 -4,-2.6 4,-2.6 -5,-0.3 3,-0.3 0.939 109.3 52.0 -55.3 -45.7 21.4 62.1 76.4 195 205 A G H X S+ 0 0 14 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.847 104.3 57.2 -61.9 -33.5 18.1 60.2 76.0 196 206 A Q H <>S+ 0 0 1 -4,-1.8 5,-2.6 2,-0.2 4,-0.4 0.896 110.1 43.9 -63.8 -40.0 18.3 61.0 72.2 197 207 A V H ><5S+ 0 0 15 -4,-1.6 3,-1.3 -3,-0.3 -2,-0.2 0.920 111.1 53.1 -70.6 -44.5 21.6 59.2 72.1 198 208 A V H 3<5S+ 0 0 91 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.899 109.3 51.5 -54.2 -40.1 20.4 56.3 74.3 199 209 A A T 3<5S- 0 0 8 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.587 137.0 -79.4 -76.3 -13.0 17.5 55.9 71.8 200 210 A G T < 5S+ 0 0 1 -3,-1.3 -59,-0.3 -4,-0.4 -3,-0.2 0.354 75.1 146.6 134.8 -11.7 19.9 55.8 68.8 201 211 A A < - 0 0 3 -5,-2.6 -1,-0.3 -6,-0.1 -59,-0.2 -0.348 27.0-166.0 -59.0 138.1 21.1 59.2 67.7 202 212 A Q S S+ 0 0 23 -61,-3.1 2,-0.3 1,-0.2 -60,-0.2 0.387 72.0 13.6-109.7 -1.1 24.6 59.1 66.3 203 213 A A E -c 142 0A 0 -62,-0.8 -60,-2.9 43,-0.2 2,-0.4 -0.935 68.8-142.5-164.5 160.9 25.3 62.9 66.4 204 214 A L E -cd 143 248A 2 43,-2.1 45,-2.7 -2,-0.3 2,-0.4 -0.998 5.5-162.9-135.6 136.4 23.6 66.0 68.0 205 215 A Q E -cd 144 249A 2 -62,-2.1 -60,-1.7 -2,-0.4 2,-0.5 -0.973 7.3-155.0-120.3 132.8 23.1 69.5 66.8 206 216 A L E -cd 145 250A 3 43,-2.9 45,-2.3 -2,-0.4 2,-0.8 -0.939 14.3-145.7-105.7 121.2 22.2 72.4 69.1 207 217 A F E +cd 146 251A 26 -62,-2.6 -60,-2.4 -2,-0.5 2,-0.9 -0.810 23.2 175.5 -94.3 102.6 20.4 75.2 67.4 208 218 A E E > + d 0 252A 0 43,-2.6 3,-1.5 -2,-0.8 45,-0.9 -0.587 20.2 160.7 -94.9 65.7 21.2 78.7 68.7 209 219 A S T 3 + 0 0 24 -2,-0.9 3,-0.3 1,-0.3 -1,-0.2 0.694 67.0 48.2 -66.3 -24.2 19.0 80.2 65.9 210 220 A H T > S+ 0 0 32 -3,-0.2 3,-1.0 1,-0.2 4,-0.3 0.026 73.0 115.0-108.1 27.5 18.6 83.6 67.6 211 221 A A G X + 0 0 0 -3,-1.5 3,-1.8 42,-0.3 43,-0.2 0.840 64.0 69.4 -57.4 -38.4 22.2 84.2 68.5 212 222 A G G 3 S+ 0 0 31 41,-1.2 -1,-0.2 1,-0.3 42,-0.1 0.665 84.0 67.9 -66.5 -17.5 22.4 87.2 66.2 213 223 A H G < S+ 0 0 51 -3,-1.0 2,-0.4 2,-0.1 -1,-0.3 0.708 95.4 68.4 -71.4 -24.6 20.2 89.4 68.3 214 224 A L S < S- 0 0 1 -3,-1.8 -46,-0.0 -4,-0.3 0, 0.0 -0.766 76.7-144.6 -88.7 126.4 22.9 89.4 71.0 215 225 A G > - 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