==== 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 3GW3 . 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 . 357 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14646.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 245 68.6 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 . 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 . 12 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 138 38.7 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 2 2 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 10 A G 0 0 119 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -6.2 21.4 46.7 68.1 2 11 A F - 0 0 63 1,-0.1 132,-0.1 135,-0.0 3,-0.1 -0.712 360.0 -83.1-115.5 163.9 21.2 48.6 64.7 3 12 A P - 0 0 37 0, 0.0 135,-0.2 0, 0.0 2,-0.2 -0.347 54.4 -99.1 -66.3 147.7 22.2 47.9 61.1 4 13 A E - 0 0 172 133,-0.1 2,-0.2 1,-0.1 0, 0.0 -0.429 40.2-109.0 -72.2 133.9 25.9 48.6 60.2 5 14 A L - 0 0 35 -2,-0.2 3,-0.2 1,-0.2 134,-0.2 -0.405 32.8-175.9 -66.5 128.8 26.5 51.9 58.5 6 15 A K S S+ 0 0 169 132,-3.5 2,-0.7 1,-0.3 133,-0.2 0.919 74.7 36.7 -88.6 -55.0 27.4 51.5 54.9 7 16 A N + 0 0 39 132,-0.9 -1,-0.3 131,-0.8 3,-0.2 -0.896 61.5 161.7-104.7 105.5 28.2 55.1 53.8 8 17 A D > + 0 0 67 -2,-0.7 4,-2.4 -3,-0.2 3,-0.4 0.096 34.6 117.8-109.1 21.3 30.0 56.9 56.7 9 18 A T H > S+ 0 0 11 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.877 74.5 53.7 -56.8 -42.1 31.5 59.8 54.6 10 19 A F H > S+ 0 0 0 60,-0.5 4,-2.0 1,-0.2 -1,-0.2 0.882 110.5 46.7 -61.0 -40.5 29.6 62.4 56.5 11 20 A L H > S+ 0 0 26 -3,-0.4 4,-2.1 2,-0.2 -2,-0.2 0.913 111.2 50.7 -71.5 -41.7 30.9 61.1 59.9 12 21 A R H X>S+ 0 0 68 -4,-2.4 5,-2.7 1,-0.2 4,-0.5 0.951 112.3 47.2 -60.9 -44.9 34.5 60.9 58.7 13 22 A A H ><5S+ 0 0 3 -4,-2.6 3,-1.1 1,-0.2 -1,-0.2 0.894 109.3 55.3 -58.6 -41.3 34.3 64.5 57.4 14 23 A A H 3<5S+ 0 0 2 -4,-2.0 277,-0.3 1,-0.3 -1,-0.2 0.863 108.2 47.4 -63.4 -38.0 32.8 65.6 60.7 15 24 A W H 3<5S- 0 0 114 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.533 123.9-104.8 -80.9 -5.5 35.6 64.1 62.7 16 25 A G T <<5 + 0 0 32 -3,-1.1 -3,-0.2 -4,-0.5 2,-0.2 0.593 69.6 145.9 95.0 13.4 38.2 65.8 60.4 17 26 A E < - 0 0 97 -5,-2.7 -1,-0.3 -6,-0.2 306,-0.3 -0.489 55.7-101.6 -82.2 152.2 39.3 62.8 58.4 18 27 A E - 0 0 103 -2,-0.2 2,-0.3 304,-0.1 -1,-0.1 -0.443 44.3-170.3 -66.5 141.2 40.2 62.8 54.7 19 28 A T - 0 0 8 302,-0.2 3,-0.1 -2,-0.1 -10,-0.0 -0.919 34.2-117.8-132.0 164.7 37.4 61.5 52.5 20 29 A D S S+ 0 0 126 -2,-0.3 2,-0.3 1,-0.1 336,-0.1 0.613 97.2 1.3 -78.2 -15.1 37.2 60.5 48.8 21 30 A Y S S- 0 0 26 300,-0.1 328,-0.1 335,-0.1 -1,-0.1 -0.951 88.1 -88.1-159.7 171.3 34.6 63.2 48.1 22 31 A T - 0 0 1 326,-0.4 330,-0.1 -2,-0.3 303,-0.1 -0.795 42.3-134.1 -93.4 123.1 32.8 66.0 50.0 23 32 A P - 0 0 0 0, 0.0 303,-2.3 0, 0.0 2,-0.4 -0.431 24.4-162.1 -75.2 154.7 29.6 64.7 51.7 24 33 A V B +a 326 0A 0 44,-0.2 46,-2.9 301,-0.2 47,-0.4 -0.997 20.5 160.0-141.4 140.3 26.4 66.8 51.4 25 34 A W - 0 0 0 301,-1.6 2,-0.4 -2,-0.4 303,-0.3 -0.927 28.1-129.6-144.1 169.0 23.1 67.2 53.1 26 35 A C > - 0 0 0 -2,-0.3 3,-1.8 45,-0.2 4,-0.2 -0.980 19.1-119.4-123.8 131.3 20.5 70.1 53.1 27 36 A M T 3 S+ 0 0 6 -2,-0.4 305,-2.3 1,-0.3 303,-0.1 -0.392 105.7 16.8 -60.5 139.8 18.8 71.7 56.0 28 37 A R T 3 S+ 0 0 149 303,-0.3 -1,-0.3 2,-0.1 47,-0.0 0.703 77.1 149.5 60.2 28.9 15.1 71.2 55.6 29 38 A Q S < S+ 0 0 2 -3,-1.8 2,-0.9 1,-0.2 -2,-0.1 0.845 71.9 57.3 -60.4 -31.4 15.7 68.4 53.1 30 39 A A S S+ 0 0 8 -4,-0.2 2,-0.3 43,-0.1 -1,-0.2 -0.885 95.5 117.4 -89.5 102.9 12.4 67.0 54.5 31 40 A G S > S- 0 0 6 -2,-0.9 3,-2.2 28,-0.1 6,-0.3 -0.965 80.5 -80.1-161.9 175.9 10.3 70.1 53.7 32 41 A R T 3 S+ 0 0 132 1,-0.3 6,-0.2 -2,-0.3 301,-0.1 0.568 109.1 78.3 -66.4 -13.1 7.5 71.7 51.8 33 42 A Y T 3 S+ 0 0 2 299,-0.1 -1,-0.3 304,-0.1 3,-0.1 0.690 85.3 77.8 -66.0 -20.2 9.4 72.1 48.6 34 43 A L S X> S- 0 0 0 -3,-2.2 4,-1.8 1,-0.2 3,-0.6 -0.842 74.3-151.6 -91.3 123.6 8.6 68.4 48.2 35 44 A P H 3> S+ 0 0 59 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.900 98.8 56.1 -58.5 -37.9 5.1 67.6 47.0 36 45 A E H 3> S+ 0 0 47 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.786 103.4 54.9 -66.9 -30.1 5.2 64.3 48.9 37 46 A F H <> S+ 0 0 9 -3,-0.6 4,-2.2 -6,-0.3 -1,-0.2 0.929 108.4 47.9 -64.5 -46.9 6.0 66.1 52.2 38 47 A R H X S+ 0 0 96 -4,-1.8 4,-2.2 -7,-0.2 -2,-0.2 0.934 111.5 52.5 -59.8 -43.5 2.9 68.3 51.7 39 48 A E H < S+ 0 0 158 -4,-2.3 4,-0.5 2,-0.2 -2,-0.2 0.948 112.2 41.4 -58.4 -53.8 0.8 65.1 51.0 40 49 A T H >X S+ 0 0 32 -4,-2.4 3,-0.7 1,-0.2 4,-0.6 0.843 115.3 52.1 -71.9 -25.5 1.9 63.2 54.1 41 50 A R H >< S+ 0 0 34 -4,-2.2 3,-0.5 1,-0.2 -1,-0.2 0.841 95.2 69.7 -71.3 -32.4 1.6 66.3 56.3 42 51 A A T 3< S+ 0 0 87 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.709 91.0 65.5 -58.4 -16.9 -1.9 66.9 55.0 43 52 A A T <4 S+ 0 0 78 -3,-0.7 2,-0.2 -4,-0.5 -1,-0.2 0.940 111.7 17.3 -72.4 -50.1 -2.9 63.8 57.0 44 53 A Q S << S- 0 0 60 -4,-0.6 2,-0.2 -3,-0.5 3,-0.0 -0.674 87.7 -97.2-112.2 169.2 -2.2 65.2 60.5 45 54 A D >> - 0 0 110 -2,-0.2 4,-2.6 1,-0.1 3,-1.0 -0.526 53.4 -93.7 -77.1 162.2 -1.8 68.7 62.0 46 55 A F H 3> S+ 0 0 25 45,-0.3 4,-2.2 1,-0.3 5,-0.1 0.851 122.1 37.5 -52.2 -57.1 1.9 69.7 62.5 47 56 A F H 3> S+ 0 0 13 1,-0.2 4,-0.6 2,-0.2 -1,-0.3 0.655 115.0 57.7 -75.4 -12.7 2.7 68.7 66.0 48 57 A S H <4 S+ 0 0 43 -3,-1.0 3,-0.3 2,-0.2 4,-0.3 0.847 104.7 51.1 -75.6 -41.0 0.5 65.6 65.5 49 58 A T H >< S+ 0 0 0 -4,-2.6 3,-2.0 1,-0.2 7,-0.4 0.957 105.9 55.6 -55.5 -49.8 2.8 64.6 62.6 50 59 A C H 3< S+ 0 0 1 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.797 106.1 53.4 -54.7 -29.0 5.8 65.1 64.9 51 60 A R T 3< S+ 0 0 115 -4,-0.6 -1,-0.3 -3,-0.3 -2,-0.2 0.356 89.0 82.8 -89.1 -0.4 4.2 62.6 67.3 52 61 A S <> - 0 0 36 -3,-2.0 4,-2.4 -4,-0.3 5,-0.2 -0.926 64.1-159.1-105.0 111.1 3.7 59.7 64.9 53 62 A P H > S+ 0 0 34 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.898 92.5 51.9 -57.8 -39.1 6.9 57.8 64.6 54 63 A E H > S+ 0 0 101 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.896 110.0 48.3 -64.2 -39.4 5.8 56.3 61.2 55 64 A A H > S+ 0 0 8 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.932 112.9 47.8 -65.1 -42.9 5.0 59.8 59.8 56 65 A C H X S+ 0 0 1 -4,-2.4 4,-2.2 -7,-0.4 19,-0.5 0.910 112.4 49.6 -63.1 -41.8 8.4 61.2 61.0 57 66 A C H X S+ 0 0 1 -4,-2.5 4,-2.1 -5,-0.2 5,-0.2 0.946 111.1 49.8 -62.6 -48.1 10.2 58.2 59.5 58 67 A E H X S+ 0 0 63 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.926 111.2 47.0 -56.7 -47.3 8.4 58.7 56.2 59 68 A L H < S+ 0 0 0 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.888 111.4 53.3 -66.7 -34.8 9.2 62.4 55.9 60 69 A T H < S+ 0 0 1 -4,-2.2 4,-0.5 -5,-0.2 13,-0.2 0.899 112.1 44.2 -62.2 -42.2 12.8 61.7 56.9 61 70 A L H >X S+ 0 0 26 -4,-2.1 4,-1.2 1,-0.2 3,-0.7 0.796 92.7 83.2 -76.7 -28.2 13.2 59.1 54.1 62 71 A Q H >X S+ 0 0 3 -4,-1.9 4,-1.1 1,-0.3 3,-0.9 0.891 91.4 45.5 -50.1 -50.5 11.5 61.0 51.4 63 72 A P H 3> S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 3,-0.4 0.873 107.3 59.3 -63.6 -32.0 14.4 63.2 50.3 64 73 A L H <4 S+ 0 0 12 -3,-0.7 -2,-0.2 -4,-0.5 -3,-0.1 0.750 100.3 57.1 -64.2 -24.0 16.8 60.2 50.3 65 74 A R H << S+ 0 0 143 -4,-1.2 -1,-0.2 -3,-0.9 -3,-0.1 0.797 115.6 37.6 -75.8 -25.4 14.5 58.5 47.7 66 75 A R H < S+ 0 0 93 -4,-1.1 -2,-0.2 -3,-0.4 -1,-0.1 0.838 124.3 26.3 -87.4 -37.2 15.1 61.6 45.5 67 76 A F S < S- 0 0 10 -4,-2.5 2,-2.1 278,-0.0 -1,-0.2 -0.966 71.7-119.8-136.4 144.7 18.7 62.4 46.1 68 77 A P + 0 0 71 0, 0.0 -44,-0.2 0, 0.0 -4,-0.1 -0.327 48.6 171.7 -82.3 62.3 21.9 60.6 47.2 69 78 A L - 0 0 3 -2,-2.1 -44,-0.2 -6,-0.2 -2,-0.0 -0.397 36.5-133.4 -70.4 151.6 22.3 62.8 50.2 70 79 A D S S+ 0 0 3 -46,-2.9 -60,-0.5 -2,-0.1 2,-0.3 0.409 83.5 25.8 -91.6 -0.4 25.1 61.7 52.6 71 80 A A - 0 0 0 -47,-0.4 2,-0.3 69,-0.2 -45,-0.2 -0.979 64.0-142.3-152.6 158.2 23.0 62.1 55.8 72 81 A A E -b 142 0A 0 69,-2.4 71,-3.2 -2,-0.3 2,-0.4 -0.866 15.0-153.3-110.5 149.1 19.4 62.0 56.9 73 82 A I E -b 143 0A 17 -2,-0.3 71,-0.2 -13,-0.2 -43,-0.1 -0.998 28.3-108.5-122.8 131.4 18.1 64.3 59.6 74 83 A I - 0 0 3 69,-2.5 2,-0.6 -2,-0.4 -17,-0.1 -0.297 32.4-117.4 -58.0 136.5 15.2 63.2 61.7 75 84 A F + 0 0 15 -19,-0.5 2,-0.2 53,-0.1 -15,-0.1 -0.689 67.7 106.3 -73.3 124.3 12.0 65.1 60.9 76 85 A S - 0 0 11 -2,-0.6 2,-0.3 -3,-0.0 3,-0.1 -0.840 61.3-105.1-165.7-156.0 10.9 67.0 64.0 77 86 A D > - 0 0 17 -2,-0.2 3,-1.7 68,-0.1 4,-0.2 -0.987 16.6-125.9-150.6 146.5 10.9 70.7 65.1 78 87 A I T > S+ 0 0 22 -2,-0.3 3,-1.5 1,-0.3 69,-0.4 0.815 105.6 69.6 -61.1 -24.6 13.0 72.7 67.6 79 88 A L T 3> S+ 0 0 1 1,-0.3 4,-2.0 2,-0.2 -1,-0.3 0.585 72.3 85.6 -75.7 -3.5 9.7 73.8 69.3 80 89 A V H <> S+ 0 0 1 -3,-1.7 4,-2.5 1,-0.2 -1,-0.3 0.823 86.3 58.8 -61.2 -29.2 9.0 70.3 70.7 81 90 A V H <> S+ 0 0 0 -3,-1.5 4,-1.7 -4,-0.2 -1,-0.2 0.978 106.6 41.2 -69.0 -55.6 11.2 71.2 73.6 82 91 A P H 4>S+ 0 0 0 0, 0.0 5,-2.2 0, 0.0 4,-0.4 0.875 115.4 54.9 -62.4 -29.4 9.4 74.3 74.9 83 92 A Q H ><5S+ 0 0 31 -4,-2.0 3,-1.6 1,-0.2 -2,-0.2 0.954 107.5 48.4 -60.5 -47.8 6.1 72.3 74.2 84 93 A A H 3<5S+ 0 0 5 -4,-2.5 -1,-0.2 1,-0.3 -3,-0.1 0.757 103.9 61.6 -62.8 -25.7 7.5 69.5 76.5 85 94 A L T 3<5S- 0 0 0 -4,-1.7 28,-2.7 -5,-0.1 -1,-0.3 0.553 131.6 -92.4 -77.7 -9.4 8.3 72.2 79.1 86 95 A G T < 5S+ 0 0 28 -3,-1.6 2,-0.3 -4,-0.4 -3,-0.2 0.469 80.8 135.4 115.4 5.7 4.6 72.9 79.2 87 96 A M < - 0 0 3 -5,-2.2 2,-0.5 1,-0.0 -1,-0.3 -0.618 53.1-126.2 -82.8 139.5 4.0 75.7 76.7 88 97 A E - 0 0 142 -2,-0.3 13,-0.4 13,-0.2 2,-0.3 -0.769 35.6-176.2 -87.7 129.7 1.1 75.5 74.4 89 98 A V - 0 0 16 -2,-0.5 2,-0.3 10,-0.2 10,-0.2 -0.821 14.6-164.8-124.8 157.0 2.1 75.9 70.7 90 99 A T B -H 98 0B 52 8,-1.7 8,-2.0 -2,-0.3 -2,-0.0 -0.990 16.7-167.0-136.8 151.9 0.5 76.0 67.3 91 100 A M - 0 0 37 -2,-0.3 -45,-0.3 6,-0.2 3,-0.1 -0.421 22.1-175.5-127.7 54.3 1.6 75.7 63.7 92 101 A V >> - 0 0 69 4,-0.4 3,-2.4 1,-0.1 4,-0.7 -0.382 41.1 -99.7 -51.1 108.8 -1.5 77.0 62.0 93 102 A P T 34 S+ 0 0 112 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.004 105.5 15.3 -44.2 130.9 -0.7 76.5 58.2 94 103 A G T 34 S+ 0 0 87 -3,-0.1 -2,-0.1 1,-0.0 -3,-0.0 0.223 118.7 70.1 89.0 -11.8 0.5 79.7 56.5 95 104 A K T <4 S- 0 0 159 -3,-2.4 -3,-0.1 1,-0.2 -1,-0.0 0.705 87.7-139.4-108.9 -27.6 1.2 81.5 59.8 96 105 A G < - 0 0 26 -4,-0.7 -4,-0.4 -5,-0.1 -1,-0.2 -0.324 49.5 -21.9 88.3-176.9 4.2 79.7 61.3 97 106 A P - 0 0 38 0, 0.0 64,-0.4 0, 0.0 2,-0.3 -0.308 64.4-179.9 -68.2 146.3 4.8 78.8 64.9 98 107 A S B -H 90 0B 46 -8,-2.0 -8,-1.7 62,-0.1 62,-0.2 -0.958 27.5-163.2-148.2 134.7 3.0 80.6 67.7 99 108 A F - 0 0 4 60,-2.1 -10,-0.2 -2,-0.3 -12,-0.0 -0.949 12.3-164.8-103.7 107.8 2.8 80.5 71.5 100 109 A P S S+ 0 0 72 0, 0.0 -1,-0.1 0, 0.0 -11,-0.1 0.744 87.4 44.2 -65.5 -19.3 -0.5 82.5 72.2 101 110 A E S S- 0 0 113 -13,-0.4 -13,-0.2 -3,-0.1 58,-0.1 -0.681 84.1-176.6-123.2 76.6 0.7 82.8 75.9 102 111 A P - 0 0 29 0, 0.0 2,-0.5 0, 0.0 55,-0.2 -0.229 36.8 -96.2 -69.7 160.5 4.4 83.7 75.7 103 112 A L + 0 0 0 53,-2.6 3,-0.1 1,-0.2 56,-0.0 -0.663 53.9 156.9 -70.3 125.5 6.6 84.1 78.8 104 113 A R + 0 0 86 -2,-0.5 2,-0.3 1,-0.3 -1,-0.2 0.617 55.1 33.4-130.1 -20.5 6.6 87.8 79.7 105 114 A E S > S- 0 0 91 1,-0.1 3,-1.8 73,-0.0 4,-0.4 -0.908 83.2-105.2-134.5 169.0 7.5 88.1 83.3 106 115 A E G > S+ 0 0 103 -2,-0.3 3,-1.7 1,-0.3 4,-0.3 0.843 116.2 62.9 -61.6 -32.6 9.7 86.3 85.8 107 116 A Q G > S+ 0 0 123 1,-0.3 3,-1.5 2,-0.2 -1,-0.3 0.739 87.8 72.1 -62.3 -26.1 6.7 84.7 87.4 108 117 A D G X S+ 0 0 28 -3,-1.8 3,-1.6 1,-0.3 -1,-0.3 0.723 79.6 75.0 -65.7 -19.7 5.8 82.9 84.1 109 118 A L G X S+ 0 0 10 -3,-1.7 3,-1.7 -4,-0.4 -1,-0.3 0.782 80.0 74.0 -61.3 -26.7 8.8 80.6 84.7 110 119 A E G < S+ 0 0 155 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.717 86.2 63.4 -60.4 -20.4 6.7 78.8 87.4 111 120 A R G < S+ 0 0 99 -3,-1.6 -1,-0.3 -4,-0.2 -2,-0.2 0.671 82.8 97.4 -81.5 -12.2 4.6 77.2 84.7 112 121 A L S < S- 0 0 19 -3,-1.7 -26,-0.2 -4,-0.3 -27,-0.1 -0.403 76.4-113.6 -78.9 149.5 7.4 75.2 83.1 113 122 A R - 0 0 98 -28,-2.7 -1,-0.1 1,-0.1 5,-0.1 -0.328 43.8 -85.6 -65.8 157.9 8.0 71.5 84.0 114 123 A D > - 0 0 90 1,-0.2 3,-2.2 2,-0.0 4,-0.4 -0.544 41.2-130.3 -57.2 128.4 11.2 70.4 85.8 115 124 A P G > S+ 0 0 16 0, 0.0 3,-1.2 0, 0.0 4,-0.4 0.775 102.2 72.1 -63.6 -20.6 13.6 70.1 83.0 116 125 A E G 3 S+ 0 0 154 1,-0.2 4,-0.2 2,-0.1 3,-0.1 0.649 97.4 49.5 -65.5 -13.9 14.6 66.6 84.3 117 126 A V G <> S+ 0 0 58 -3,-2.2 4,-1.4 1,-0.1 3,-0.3 0.525 85.4 89.5-101.3 -5.8 11.2 65.2 83.1 118 127 A V H <> S+ 0 0 0 -3,-1.2 4,-0.9 -4,-0.4 -2,-0.1 0.860 79.7 58.8 -59.6 -39.3 11.3 66.7 79.6 119 128 A A H >4 S+ 0 0 19 -4,-0.4 3,-1.1 1,-0.2 -1,-0.2 0.927 103.5 53.0 -62.4 -38.4 13.0 63.7 78.0 120 129 A S H >4 S+ 0 0 88 -3,-0.3 3,-1.3 1,-0.3 -1,-0.2 0.896 106.2 53.9 -63.3 -36.7 10.1 61.4 79.1 121 130 A E H 3< S+ 0 0 77 -4,-1.4 3,-0.3 1,-0.2 -1,-0.3 0.694 106.7 53.5 -66.0 -18.2 7.7 63.8 77.4 122 131 A L T XX + 0 0 0 -3,-1.1 3,-1.8 -4,-0.9 4,-1.4 0.121 67.3 120.9-108.5 20.1 9.6 63.5 74.2 123 132 A G H <> + 0 0 24 -3,-1.3 4,-2.4 1,-0.3 -1,-0.2 0.816 68.8 64.7 -49.8 -38.5 9.6 59.7 74.0 124 133 A Y H 3> S+ 0 0 16 -3,-0.3 4,-2.0 2,-0.2 -1,-0.3 0.801 99.2 51.3 -55.9 -32.7 7.8 60.0 70.6 125 134 A V H <> S+ 0 0 2 -3,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.927 109.9 49.1 -72.9 -41.5 10.9 61.6 69.1 126 135 A F H X S+ 0 0 38 -4,-1.4 4,-2.5 1,-0.2 5,-0.2 0.898 109.7 52.7 -64.7 -38.6 13.1 58.8 70.4 127 136 A Q H X S+ 0 0 122 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.915 110.1 48.2 -59.6 -43.2 10.6 56.3 68.9 128 137 A A H X S+ 0 0 1 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.863 110.8 51.0 -63.1 -41.2 10.8 58.1 65.6 129 138 A I H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.944 110.9 47.0 -63.8 -46.8 14.6 58.1 65.7 130 139 A T H X S+ 0 0 49 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.933 114.5 48.1 -61.5 -46.9 14.9 54.3 66.4 131 140 A L H X S+ 0 0 33 -4,-2.2 4,-2.8 -5,-0.2 -1,-0.2 0.925 113.2 46.5 -57.8 -46.4 12.4 53.5 63.7 132 141 A T H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.895 110.4 52.8 -68.1 -38.7 14.1 55.7 61.2 133 142 A R H X>S+ 0 0 42 -4,-2.9 4,-1.1 67,-0.2 5,-0.6 0.937 112.9 45.8 -62.1 -42.8 17.6 54.2 62.1 134 143 A Q H ><5S+ 0 0 87 -4,-2.6 3,-0.6 -5,-0.2 -2,-0.2 0.954 114.7 46.6 -62.8 -47.6 16.2 50.7 61.5 135 144 A R H 3<5S+ 0 0 128 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.861 104.8 59.1 -68.0 -34.9 14.5 51.6 58.2 136 145 A L H ><5S- 0 0 11 -4,-2.7 3,-1.8 -5,-0.2 -1,-0.3 0.815 90.6-158.7 -60.3 -29.0 17.5 53.4 56.8 137 146 A A T <<5 - 0 0 56 -4,-1.1 -3,-0.1 -3,-0.6 -133,-0.1 0.825 64.6 -52.8 55.5 35.9 19.3 50.1 57.3 138 147 A G T 3 - 0 0 0 60,-2.3 4,-2.8 -2,-0.2 5,-0.3 -0.408 33.0-104.2 -75.7 154.7 20.0 76.1 71.3 149 158 A P H > S+ 0 0 0 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.902 118.5 45.6 -49.5 -49.8 19.0 77.7 74.6 150 159 A W H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 59,-0.1 0.943 113.4 49.3 -63.5 -44.8 19.0 81.3 73.4 151 160 A T H > S+ 0 0 0 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.943 112.8 47.5 -61.4 -43.1 17.0 80.5 70.2 152 161 A L H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.918 108.8 55.7 -61.5 -41.1 14.4 78.5 72.2 153 162 A M H X S+ 0 0 0 -4,-2.7 4,-2.2 -5,-0.3 5,-0.3 0.904 102.9 55.8 -55.8 -43.9 14.2 81.4 74.7 154 163 A T H X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 5,-0.4 0.916 109.2 45.4 -59.1 -44.6 13.4 83.8 71.8 155 164 A Y H X S+ 0 0 36 -4,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.899 112.8 51.3 -64.7 -37.9 10.4 81.8 70.7 156 165 A M H < S+ 0 0 0 -4,-2.2 -53,-2.6 -5,-0.2 -2,-0.2 0.853 120.6 32.5 -70.0 -32.3 9.2 81.3 74.3 157 166 A V H < S+ 0 0 0 -4,-2.2 -2,-0.2 -55,-0.2 -1,-0.2 0.866 124.3 42.3 -89.7 -45.1 9.3 85.1 75.1 158 167 A E H < S- 0 0 32 -4,-2.9 -3,-0.2 -5,-0.3 -2,-0.2 0.827 97.6-135.3 -71.1 -34.1 8.5 86.5 71.6 159 168 A G S < S- 0 0 7 -4,-1.9 -60,-2.1 -5,-0.4 2,-0.3 0.511 74.7 -10.7 91.6 7.6 5.7 84.0 71.0 160 169 A G S S- 0 0 9 -6,-0.4 -2,-0.2 -62,-0.2 -1,-0.1 -0.958 110.4 -22.6 161.6-165.6 6.9 83.4 67.5 161 170 A G - 0 0 62 -64,-0.4 2,-0.3 -2,-0.3 0, 0.0 -0.247 55.1-177.0 -65.6 158.4 9.3 84.9 65.0 162 171 A S - 0 0 35 1,-0.1 -4,-0.0 3,-0.0 -3,-0.0 -0.971 32.0-139.2-156.7 147.6 10.5 88.6 65.2 163 172 A S S S+ 0 0 111 -2,-0.3 -1,-0.1 1,-0.1 -2,-0.0 0.596 105.9 21.5 -83.1 -11.5 12.7 90.8 63.2 164 173 A T S S- 0 0 78 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.554 82.3-139.4-127.1 -20.3 14.3 92.4 66.3 165 174 A M > + 0 0 0 1,-0.1 4,-3.2 3,-0.1 5,-0.3 0.835 46.3 156.6 52.8 33.9 13.8 90.0 69.2 166 175 A A H > + 0 0 54 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.841 66.3 47.4 -62.6 -36.8 13.1 93.2 71.2 167 176 A Q H > S+ 0 0 76 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.928 115.0 44.7 -72.9 -42.8 11.1 91.4 73.9 168 177 A A H > S+ 0 0 0 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.916 115.3 47.9 -65.8 -41.1 13.7 88.6 74.4 169 178 A K H X S+ 0 0 60 -4,-3.2 4,-2.2 2,-0.2 5,-0.2 0.863 105.3 59.4 -66.4 -33.8 16.6 91.1 74.4 170 179 A R H X>S+ 0 0 141 -4,-1.9 4,-3.0 -5,-0.3 5,-0.6 0.901 103.7 53.1 -60.5 -39.9 14.7 93.3 76.8 171 180 A W H X5S+ 0 0 5 -4,-1.8 4,-2.5 3,-0.2 8,-0.3 0.946 106.4 51.7 -56.2 -47.7 14.8 90.2 79.1 172 181 A L H <5S+ 0 0 3 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.911 120.3 33.9 -58.6 -39.9 18.6 90.0 78.8 173 182 A Y H <5S+ 0 0 158 -4,-2.2 -1,-0.2 2,-0.1 -2,-0.2 0.864 131.3 29.1 -83.6 -37.9 19.1 93.7 79.7 174 183 A Q H <5S+ 0 0 116 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.735 132.5 29.8 -99.2 -26.3 16.3 94.2 82.2 175 184 A R X< + 0 0 87 -4,-2.5 4,-2.5 -5,-0.6 -1,-0.2 -0.426 66.4 151.3-129.5 58.2 15.9 90.7 83.7 176 185 A P H > S+ 0 0 54 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.862 74.9 51.1 -62.7 -37.4 19.4 89.1 83.5 177 186 A Q H > S+ 0 0 175 2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.950 113.4 44.0 -62.4 -48.5 18.9 86.8 86.5 178 187 A A H > S+ 0 0 1 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.851 112.3 55.2 -64.3 -34.4 15.5 85.5 85.2 179 188 A S H X S+ 0 0 0 -4,-2.5 4,-2.8 -8,-0.3 -2,-0.2 0.947 108.5 46.2 -62.4 -48.2 17.1 85.1 81.7 180 189 A H H X S+ 0 0 61 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.897 111.2 53.9 -61.8 -39.5 20.0 83.0 83.1 181 190 A Q H X S+ 0 0 92 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.943 111.8 43.9 -56.4 -50.6 17.3 81.0 85.0 182 191 A L H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.906 113.1 51.2 -61.5 -44.4 15.4 80.3 81.8 183 192 A L H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.887 110.9 48.8 -62.9 -36.6 18.6 79.5 79.8 184 193 A R H X S+ 0 0 88 -4,-2.6 4,-2.9 2,-0.2 -1,-0.2 0.893 109.5 51.8 -67.5 -41.4 19.6 77.0 82.5 185 194 A I H X S+ 0 0 26 -4,-2.2 4,-1.4 -5,-0.2 -2,-0.2 0.942 112.4 47.3 -59.6 -46.1 16.2 75.4 82.5 186 195 A L H X S+ 0 0 0 -4,-2.7 4,-2.8 2,-0.2 3,-0.4 0.923 112.0 48.9 -61.1 -44.1 16.5 75.0 78.7 187 196 A T H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.931 110.2 51.8 -60.0 -47.7 20.1 73.6 79.0 188 197 A D H < S+ 0 0 55 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.739 113.7 44.0 -65.5 -23.6 18.9 71.1 81.6 189 198 A A H X S+ 0 0 0 -4,-1.4 4,-1.6 -3,-0.4 -1,-0.2 0.839 112.4 52.5 -82.9 -40.7 16.1 69.9 79.3 190 199 A L H X S+ 0 0 0 -4,-2.8 4,-3.1 -5,-0.2 5,-0.3 0.874 101.2 59.6 -64.1 -41.5 18.2 69.8 76.2 191 200 A V H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.969 110.2 39.3 -56.5 -56.8 21.0 67.7 77.6 192 201 A P H > S+ 0 0 19 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.843 116.6 54.0 -65.3 -31.4 18.8 64.6 78.5 193 202 A Y H X S+ 0 0 3 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.951 111.4 42.6 -62.4 -49.8 16.9 65.1 75.3 194 203 A L H X S+ 0 0 1 -4,-3.1 4,-1.7 2,-0.2 -1,-0.2 0.907 114.1 51.3 -63.4 -42.4 20.0 65.1 73.1 195 204 A V H X S+ 0 0 20 -4,-2.6 4,-2.7 -5,-0.3 3,-0.3 0.944 109.6 51.6 -58.4 -45.4 21.5 62.1 75.0 196 205 A G H X S+ 0 0 14 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.835 104.4 57.1 -61.6 -34.2 18.1 60.3 74.5 197 206 A Q H <>S+ 0 0 0 -4,-1.8 5,-3.0 2,-0.2 -1,-0.2 0.885 110.3 43.4 -63.5 -39.5 18.3 61.0 70.8 198 207 A V H ><5S+ 0 0 14 -4,-1.7 3,-1.6 -3,-0.3 -2,-0.2 0.921 111.4 53.4 -71.9 -44.9 21.7 59.2 70.6 199 208 A V H 3<5S+ 0 0 88 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.909 109.2 51.4 -51.9 -41.7 20.5 56.3 72.9 200 209 A A T 3<5S- 0 0 8 -4,-2.3 -1,-0.3 -5,-0.2 -67,-0.2 0.557 137.6 -80.9 -73.0 -14.1 17.6 55.9 70.4 201 210 A G T < 5S+ 0 0 1 -3,-1.6 -59,-0.3 1,-0.3 -3,-0.2 0.397 74.1 148.4 131.0 -6.1 20.0 55.8 67.4 202 211 A A < - 0 0 3 -5,-3.0 -1,-0.3 -6,-0.1 -59,-0.2 -0.391 27.0-164.9 -58.9 137.3 21.1 59.3 66.3 203 212 A Q S S+ 0 0 21 -61,-3.1 2,-0.3 1,-0.2 -60,-0.2 0.377 72.4 12.9-106.0 0.3 24.7 59.1 64.9 204 213 A A E -c 143 0A 0 -62,-0.8 -60,-2.9 43,-0.2 2,-0.4 -0.940 69.6-141.3-165.1 161.5 25.4 62.9 65.0 205 214 A L E -cd 144 249A 2 43,-2.0 45,-2.8 -2,-0.3 2,-0.5 -1.000 6.1-162.0-137.6 138.9 23.7 65.9 66.6 206 215 A Q E -cd 145 250A 1 -62,-2.0 -60,-1.8 -2,-0.4 2,-0.6 -0.976 6.9-154.9-122.9 129.8 23.1 69.5 65.4 207 216 A L E -cd 146 251A 4 43,-3.1 45,-2.6 -2,-0.5 2,-0.9 -0.934 13.5-147.2-102.5 120.5 22.3 72.4 67.7 208 217 A F E +cd 147 252A 26 -62,-2.7 -60,-2.3 -2,-0.6 2,-1.0 -0.791 21.8 175.8 -92.9 103.5 20.4 75.2 65.9 209 218 A E E > + d 0 253A 0 43,-2.7 3,-1.4 -2,-0.9 45,-1.1 -0.573 19.0 160.3 -97.2 69.4 21.2 78.6 67.2 210 219 A S T 3 + 0 0 20 -2,-1.0 3,-0.3 1,-0.3 -1,-0.2 0.678 66.8 49.9 -70.1 -19.9 19.1 80.2 64.5 211 220 A H T > S+ 0 0 26 -3,-0.2 3,-1.1 1,-0.2 4,-0.3 0.112 72.8 112.3-109.8 20.6 18.6 83.5 66.3 212 221 A A G X> + 0 0 0 -3,-1.4 3,-2.0 1,-0.2 4,-0.7 0.839 64.2 70.5 -54.5 -41.7 22.3 84.2 67.1 213 222 A G G 34 S+ 0 0 30 41,-1.3 -1,-0.2 1,-0.3 42,-0.1 0.687 87.6 63.0 -60.4 -23.1 22.5 87.2 64.8 214 223 A H G <4 S+ 0 0 54 -3,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.707 99.0 57.9 -73.3 -19.8 20.3 89.4 66.9 215 224 A L T <4 S- 0 0 12 -3,-2.0 4,-0.5 -4,-0.3 -2,-0.2 0.911 79.2-155.9 -82.5 -45.2 22.8 89.4 69.8 216 225 A G X - 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