==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 21-AUG-98 1URO . COMPND 2 MOLECULE: PROTEIN (UROPORPHYRINOGEN DECARBOXYLASE); . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR F.G.WHITBY,J.D.PHILLIPS,J.P.KUSHNER,C.P.HILL . 357 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14547.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 246 68.9 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 . 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 . 13 3.6 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 . 135 37.8 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 10 A G 0 0 125 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 21.1 20.9 46.4 69.0 2 11 A F - 0 0 62 1,-0.1 132,-0.1 135,-0.0 3,-0.1 -0.769 360.0 -84.2-117.0 161.4 20.9 48.5 65.7 3 12 A P - 0 0 49 0, 0.0 135,-0.2 0, 0.0 2,-0.2 -0.226 54.2-102.9 -62.0 145.5 22.0 47.9 62.2 4 13 A E - 0 0 171 133,-0.1 2,-0.2 1,-0.1 0, 0.0 -0.511 42.0-102.0 -69.5 141.0 25.7 48.6 61.7 5 14 A L - 0 0 36 -2,-0.2 3,-0.2 1,-0.2 134,-0.2 -0.401 34.3-175.0 -67.0 130.0 26.4 51.9 59.9 6 15 A K S S+ 0 0 172 132,-3.7 2,-0.8 1,-0.3 133,-0.2 0.924 76.3 36.4 -90.2 -57.7 27.2 51.5 56.2 7 16 A N + 0 0 39 132,-1.2 -1,-0.3 131,-0.8 3,-0.2 -0.844 61.0 161.4-100.5 105.8 28.1 55.1 55.2 8 17 A D > + 0 0 60 -2,-0.8 4,-2.6 -3,-0.2 3,-0.4 0.162 35.5 117.8-108.5 19.9 29.9 56.9 58.1 9 18 A T H > S+ 0 0 6 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.891 74.8 55.0 -51.3 -46.1 31.4 59.7 56.0 10 19 A F H > S+ 0 0 1 60,-0.5 4,-2.1 1,-0.2 -1,-0.3 0.897 110.1 44.4 -55.4 -46.3 29.4 62.2 58.0 11 20 A L H > S+ 0 0 26 -3,-0.4 4,-2.0 2,-0.2 -2,-0.2 0.907 111.4 52.6 -69.9 -39.8 30.8 61.0 61.3 12 21 A R H <>S+ 0 0 70 -4,-2.6 5,-2.6 2,-0.2 4,-0.4 0.950 111.7 46.3 -60.8 -43.4 34.3 60.8 60.1 13 22 A A H ><5S+ 0 0 2 -4,-2.7 3,-1.5 1,-0.2 -2,-0.2 0.907 109.2 56.0 -63.3 -39.2 34.2 64.4 58.9 14 23 A A H 3<5S+ 0 0 2 -4,-2.1 277,-0.3 1,-0.3 -1,-0.2 0.851 107.4 48.4 -62.0 -38.3 32.6 65.5 62.2 15 24 A W T 3<5S- 0 0 114 -4,-2.0 -1,-0.3 -3,-0.2 -2,-0.2 0.492 124.3-105.7 -80.2 -5.2 35.5 64.0 64.1 16 25 A G T < 5S+ 0 0 23 -3,-1.5 -3,-0.2 -4,-0.4 307,-0.2 0.504 70.1 145.2 96.4 9.3 38.0 65.8 61.8 17 26 A E < - 0 0 105 -5,-2.6 -1,-0.3 -6,-0.2 306,-0.2 -0.390 55.7-103.2 -83.6 155.2 39.1 62.8 59.7 18 27 A E - 0 0 112 -2,-0.1 2,-0.3 304,-0.1 -1,-0.1 -0.517 44.1-175.6 -70.8 142.8 40.0 62.8 56.1 19 28 A T - 0 0 11 302,-0.3 3,-0.0 -2,-0.2 -10,-0.0 -0.891 37.0-110.7-135.5 167.8 37.2 61.3 53.9 20 29 A D S S+ 0 0 126 -2,-0.3 2,-0.3 1,-0.0 336,-0.1 0.583 98.0 1.6 -75.8 -18.9 36.9 60.5 50.2 21 30 A Y S S- 0 0 24 334,-0.1 328,-0.1 335,-0.0 329,-0.1 -0.950 89.6 -86.3-157.3 168.3 34.4 63.2 49.5 22 31 A T - 0 0 1 326,-0.4 330,-0.1 -2,-0.3 303,-0.1 -0.766 42.7-133.1 -87.5 124.7 32.6 65.9 51.5 23 32 A P - 0 0 0 0, 0.0 303,-2.3 0, 0.0 2,-0.4 -0.489 26.1-163.8 -74.0 152.8 29.5 64.6 53.2 24 33 A V B +a 326 0A 0 44,-0.2 46,-2.9 301,-0.2 47,-0.4 -0.997 20.4 160.0-142.6 139.6 26.4 66.8 52.9 25 34 A W - 0 0 0 301,-1.5 2,-0.4 -2,-0.4 303,-0.2 -0.905 28.6-129.0-142.5 169.4 23.0 67.1 54.6 26 35 A C > - 0 0 0 -2,-0.3 3,-1.9 45,-0.2 4,-0.2 -0.989 19.0-119.1-130.3 129.9 20.4 70.0 54.7 27 36 A M T 3 S+ 0 0 6 -2,-0.4 305,-2.0 303,-0.3 303,-0.1 -0.430 106.9 16.8 -60.3 136.7 18.7 71.7 57.6 28 37 A R T 3 S+ 0 0 153 303,-0.2 -1,-0.3 1,-0.1 47,-0.0 0.715 76.6 149.4 67.7 25.3 14.9 71.1 57.1 29 38 A Q S < S+ 0 0 2 -3,-1.9 2,-0.9 1,-0.2 -2,-0.1 0.805 72.1 57.5 -60.1 -27.7 15.6 68.4 54.6 30 39 A A S S+ 0 0 9 -4,-0.2 2,-0.3 32,-0.1 -1,-0.2 -0.912 95.0 115.6 -96.3 103.3 12.3 67.0 55.9 31 40 A G S > S- 0 0 4 -2,-0.9 3,-2.4 28,-0.1 6,-0.3 -0.983 81.2 -77.6-160.3 177.1 10.2 70.1 55.1 32 41 A R T 3 S+ 0 0 112 1,-0.3 6,-0.2 -2,-0.3 301,-0.1 0.573 109.0 78.7 -61.1 -14.9 7.4 71.7 53.2 33 42 A Y T 3 S+ 0 0 3 299,-0.1 -1,-0.3 304,-0.1 3,-0.1 0.689 85.3 74.4 -67.4 -16.8 9.4 72.0 50.0 34 43 A L S X> S- 0 0 0 -3,-2.4 4,-1.6 1,-0.2 3,-0.8 -0.866 76.1-148.7 -95.4 126.2 8.6 68.3 49.5 35 44 A P H 3> S+ 0 0 61 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.923 99.3 57.1 -59.9 -38.7 5.0 67.6 48.4 36 45 A E H 3> S+ 0 0 44 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.780 102.8 54.9 -63.3 -28.4 5.2 64.2 50.3 37 46 A F H <> S+ 0 0 9 -3,-0.8 4,-2.9 -6,-0.3 -1,-0.2 0.921 107.8 48.3 -68.6 -47.0 6.0 66.1 53.5 38 47 A R H X S+ 0 0 100 -4,-1.6 4,-2.2 -7,-0.2 -2,-0.2 0.934 112.7 49.1 -58.4 -48.3 2.9 68.3 53.2 39 48 A E H X S+ 0 0 156 -4,-2.4 4,-0.6 2,-0.2 -2,-0.2 0.942 113.4 44.9 -58.6 -49.2 0.7 65.2 52.5 40 49 A T H >< S+ 0 0 33 -4,-2.2 3,-1.2 1,-0.2 4,-0.3 0.927 114.8 50.0 -60.5 -44.4 2.1 63.3 55.5 41 50 A R H >< S+ 0 0 35 -4,-2.9 3,-1.2 1,-0.2 -2,-0.2 0.849 98.4 66.9 -67.1 -24.0 1.7 66.4 57.7 42 51 A A H 3< S+ 0 0 84 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.710 82.8 77.8 -69.1 -16.0 -1.8 67.0 56.5 43 52 A A T << S- 0 0 82 -3,-1.2 2,-0.2 -4,-0.6 -1,-0.2 0.806 111.1 -6.4 -62.2 -31.9 -2.9 63.7 58.4 44 53 A Q S < S- 0 0 54 -3,-1.2 2,-0.2 -4,-0.3 -1,-0.0 -0.855 88.4 -69.9-150.2-177.0 -2.8 65.5 61.7 45 54 A D >> - 0 0 107 -2,-0.2 4,-2.1 1,-0.1 3,-1.0 -0.496 58.1 -97.9 -77.4 154.3 -1.9 68.8 63.6 46 55 A F H 3> S+ 0 0 26 45,-0.3 4,-2.0 1,-0.2 5,-0.1 0.823 120.1 39.8 -39.7 -60.1 1.8 69.7 63.9 47 56 A F H 3> S+ 0 0 12 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.751 111.2 58.5 -69.9 -19.1 2.5 68.4 67.5 48 57 A S H <4 S+ 0 0 46 -3,-1.0 4,-0.2 2,-0.2 -1,-0.2 0.872 106.2 50.7 -74.9 -38.5 0.4 65.3 66.9 49 58 A T H >< S+ 0 0 0 -4,-2.1 3,-2.0 1,-0.2 7,-0.3 0.966 107.6 52.0 -60.3 -50.1 2.8 64.6 64.0 50 59 A C H 3< S+ 0 0 1 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.778 108.5 54.5 -56.6 -29.8 5.8 65.1 66.3 51 60 A R T 3< S+ 0 0 106 -4,-1.1 -1,-0.3 -5,-0.1 -2,-0.2 0.390 89.2 83.0 -86.7 0.9 4.2 62.6 68.7 52 61 A S <> - 0 0 36 -3,-2.0 4,-2.8 -4,-0.2 5,-0.3 -0.914 63.4-158.5-108.0 110.3 3.7 59.7 66.2 53 62 A P H > S+ 0 0 31 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.932 93.8 49.1 -51.8 -45.2 6.9 57.7 65.9 54 63 A E H > S+ 0 0 102 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.867 110.9 48.7 -65.2 -38.3 5.8 56.3 62.5 55 64 A A H > S+ 0 0 12 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.941 113.7 46.7 -67.8 -40.2 5.0 59.7 61.1 56 65 A C H X S+ 0 0 1 -4,-2.8 4,-2.9 -7,-0.3 19,-0.4 0.930 112.7 50.6 -65.6 -43.5 8.3 61.2 62.3 57 66 A C H X S+ 0 0 2 -4,-3.0 4,-2.3 -5,-0.3 -1,-0.2 0.946 110.9 48.7 -58.8 -47.3 10.2 58.2 60.9 58 67 A E H X S+ 0 0 64 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.906 112.2 47.0 -60.2 -46.3 8.4 58.6 57.5 59 68 A L H < S+ 0 0 0 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.921 111.4 53.2 -63.3 -41.1 9.1 62.4 57.3 60 69 A T H X S+ 0 0 2 -4,-2.9 4,-0.6 -5,-0.2 13,-0.2 0.911 112.6 44.0 -58.6 -41.9 12.8 61.7 58.3 61 70 A L H X S+ 0 0 24 -4,-2.3 4,-1.3 -5,-0.2 3,-0.4 0.801 92.6 81.5 -76.6 -28.0 13.1 59.1 55.5 62 71 A Q H >X S+ 0 0 4 -4,-2.0 3,-0.9 1,-0.2 4,-0.9 0.894 92.4 46.6 -48.0 -49.9 11.4 61.0 52.7 63 72 A P H >> S+ 0 0 0 0, 0.0 4,-2.7 0, 0.0 3,-0.9 0.912 107.7 58.6 -64.2 -31.6 14.4 63.2 51.7 64 73 A L H 3< S+ 0 0 10 -4,-0.6 -2,-0.2 -3,-0.4 -3,-0.1 0.766 100.1 56.9 -66.7 -22.8 16.7 60.2 51.7 65 74 A R H << S+ 0 0 143 -4,-1.3 -1,-0.3 -3,-0.9 -3,-0.1 0.742 114.9 38.6 -79.3 -20.9 14.5 58.5 49.1 66 75 A R H << S+ 0 0 97 -3,-0.9 -2,-0.2 -4,-0.9 -1,-0.2 0.799 123.1 28.1 -93.4 -36.0 15.1 61.5 46.8 67 76 A F S < S- 0 0 9 -4,-2.7 2,-2.2 278,-0.0 -1,-0.2 -0.973 73.3-119.2-134.1 148.8 18.6 62.4 47.5 68 77 A P + 0 0 72 0, 0.0 -44,-0.2 0, 0.0 2,-0.1 -0.333 49.2 172.1 -82.6 66.5 21.9 60.6 48.5 69 78 A L - 0 0 4 -2,-2.2 -44,-0.2 -6,-0.2 -2,-0.0 -0.418 34.8-135.9 -73.5 148.8 22.2 62.7 51.7 70 79 A D S S+ 0 0 3 -46,-2.9 -60,-0.5 -2,-0.1 2,-0.3 0.367 82.3 24.5 -90.7 2.6 25.0 61.7 54.1 71 80 A A - 0 0 0 -47,-0.4 2,-0.4 69,-0.2 -45,-0.2 -0.980 64.8-143.0-157.4 153.0 23.0 62.0 57.3 72 81 A A E -b 142 0A 0 69,-2.6 71,-3.3 -2,-0.3 2,-0.5 -0.919 14.8-151.3-111.3 151.0 19.3 62.0 58.3 73 82 A I E -b 143 0A 16 -2,-0.4 71,-0.2 -13,-0.2 -43,-0.1 -0.994 27.8-106.8-123.0 132.6 18.1 64.3 61.0 74 83 A I - 0 0 3 69,-2.6 2,-0.5 -2,-0.5 -17,-0.1 -0.254 32.0-117.8 -55.1 134.7 15.1 63.2 63.2 75 84 A F + 0 0 18 -19,-0.4 2,-0.3 53,-0.1 -1,-0.1 -0.670 68.0 106.7 -73.9 123.2 11.9 65.0 62.4 76 85 A S - 0 0 11 -2,-0.5 2,-0.3 -3,-0.0 3,-0.1 -0.848 61.6-105.8-166.8-157.9 10.8 66.9 65.5 77 86 A D > - 0 0 25 -2,-0.3 3,-1.6 68,-0.1 4,-0.2 -0.988 15.8-127.7-148.6 146.1 10.7 70.6 66.6 78 87 A I T > S+ 0 0 22 -2,-0.3 3,-1.3 1,-0.3 69,-0.4 0.816 105.2 70.1 -64.1 -23.3 12.9 72.6 69.0 79 88 A L T 3> S+ 0 0 2 1,-0.3 4,-1.9 2,-0.2 -1,-0.3 0.593 72.4 85.8 -73.4 -6.2 9.6 73.7 70.8 80 89 A V H <> S+ 0 0 0 -3,-1.6 4,-2.4 1,-0.2 -1,-0.3 0.855 85.7 57.7 -61.2 -28.7 9.0 70.2 72.2 81 90 A V H <> S+ 0 0 0 -3,-1.3 4,-1.5 -4,-0.2 -1,-0.2 0.965 106.5 42.8 -69.2 -54.2 11.2 71.2 75.2 82 91 A P H 4>S+ 0 0 0 0, 0.0 5,-2.0 0, 0.0 4,-0.3 0.890 114.8 54.2 -62.0 -31.6 9.4 74.3 76.4 83 92 A Q H ><5S+ 0 0 30 -4,-1.9 3,-2.0 1,-0.2 -2,-0.2 0.954 107.9 47.6 -63.4 -44.1 6.1 72.3 75.9 84 93 A A H 3<5S+ 0 0 7 -4,-2.4 -1,-0.2 1,-0.3 -3,-0.2 0.762 103.7 64.8 -68.5 -20.1 7.4 69.4 78.1 85 94 A L T 3<5S- 0 0 0 -4,-1.5 28,-2.7 -5,-0.2 -1,-0.3 0.574 131.0 -91.8 -77.6 -8.7 8.4 72.1 80.6 86 95 A G T < 5S+ 0 0 27 -3,-2.0 2,-0.3 1,-0.3 -3,-0.2 0.466 83.0 131.6 115.7 0.3 4.6 72.9 81.0 87 96 A M < - 0 0 1 -5,-2.0 2,-0.5 1,-0.0 -1,-0.3 -0.684 54.2-127.8 -89.7 140.5 4.0 75.6 78.4 88 97 A E - 0 0 138 -2,-0.3 13,-0.4 13,-0.2 2,-0.3 -0.765 31.6-175.3 -89.6 126.1 1.1 75.4 76.0 89 98 A V - 0 0 16 -2,-0.5 2,-0.3 10,-0.2 10,-0.2 -0.833 12.2-165.3-122.1 155.8 2.1 75.8 72.4 90 99 A T E -H 98 0B 54 8,-2.0 8,-2.0 -2,-0.3 2,-0.5 -0.982 12.5-151.1-141.5 140.3 0.0 76.1 69.2 91 100 A M E -H 97 0B 49 -2,-0.3 -45,-0.3 6,-0.2 -44,-0.0 -0.659 17.9-175.5-117.0 75.0 1.3 75.7 65.6 92 101 A V E >> -H 96 0B 56 4,-1.1 4,-2.6 -2,-0.5 3,-0.6 -0.629 23.7-137.9 -73.7 110.0 -1.1 77.8 63.6 93 102 A P T 34 S+ 0 0 141 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.711 99.2 47.1 -38.5 -40.6 -0.0 77.3 59.8 94 103 A G T 34 S+ 0 0 81 2,-0.1 -2,-0.0 1,-0.1 -3,-0.0 0.918 125.7 26.9 -73.7 -44.2 -0.4 81.0 58.8 95 104 A K T <4 S- 0 0 165 -3,-0.6 -1,-0.1 1,-0.3 -4,-0.0 0.935 96.8-133.5 -82.6 -58.7 1.5 82.4 61.8 96 105 A G E < -H 92 0B 20 -4,-2.6 -4,-1.1 64,-0.1 -1,-0.3 -0.922 58.6 -4.9 130.7-152.0 4.0 79.8 63.0 97 106 A P E -H 91 0B 31 0, 0.0 64,-0.4 0, 0.0 2,-0.3 -0.401 67.5-176.4 -74.5 150.1 4.6 78.6 66.6 98 107 A S E -H 90 0B 23 -8,-2.0 -8,-2.0 62,-0.1 62,-0.2 -0.986 28.3-163.5-151.6 140.0 2.8 80.4 69.4 99 108 A F - 0 0 4 60,-2.2 -10,-0.2 -2,-0.3 -12,-0.0 -0.965 12.6-163.9-117.0 101.0 2.6 80.4 73.2 100 109 A P S S+ 0 0 70 0, 0.0 -1,-0.1 0, 0.0 -11,-0.1 0.740 88.6 42.7 -57.4 -25.7 -0.6 82.3 74.0 101 110 A E S S- 0 0 104 -13,-0.4 -13,-0.2 -3,-0.1 58,-0.1 -0.671 84.5-175.5-123.5 77.8 0.7 82.7 77.6 102 111 A P - 0 0 26 0, 0.0 2,-0.5 0, 0.0 55,-0.2 -0.146 37.2 -95.4 -69.5 159.0 4.4 83.6 77.4 103 112 A L + 0 0 0 53,-3.0 3,-0.1 1,-0.2 56,-0.0 -0.664 56.0 154.8 -71.9 127.1 6.7 84.0 80.3 104 113 A R + 0 0 89 -2,-0.5 2,-0.3 1,-0.3 -1,-0.2 0.637 55.4 34.2-128.6 -25.6 6.7 87.7 81.3 105 114 A E S > S- 0 0 87 1,-0.1 3,-1.4 73,-0.0 -1,-0.3 -0.842 84.2-105.7-130.1 166.1 7.5 88.1 84.9 106 115 A E G > S+ 0 0 103 -2,-0.3 3,-2.0 1,-0.3 4,-0.3 0.853 114.9 62.0 -56.9 -38.2 9.7 86.2 87.2 107 116 A Q G > S+ 0 0 111 1,-0.3 3,-1.7 2,-0.2 -1,-0.3 0.768 87.2 74.6 -62.4 -23.1 6.8 84.5 89.0 108 117 A D G X S+ 0 0 41 -3,-1.4 3,-1.2 1,-0.3 -1,-0.3 0.683 79.4 73.0 -64.3 -17.9 5.8 82.9 85.7 109 118 A L G X S+ 0 0 10 -3,-2.0 3,-1.7 -4,-0.3 -1,-0.3 0.776 81.4 74.6 -66.8 -24.2 8.8 80.5 86.2 110 119 A E G < S+ 0 0 154 -3,-1.7 -1,-0.2 -4,-0.3 -2,-0.2 0.704 86.3 61.0 -61.9 -18.3 6.8 78.8 88.9 111 120 A R G < S+ 0 0 97 -3,-1.2 -1,-0.3 -4,-0.2 -2,-0.2 0.629 84.3 100.1 -88.2 -5.7 4.5 77.1 86.5 112 121 A L S < S- 0 0 20 -3,-1.7 -26,-0.2 -4,-0.2 -27,-0.1 -0.410 77.2-111.7 -78.9 151.8 7.4 75.1 84.8 113 122 A R - 0 0 99 -28,-2.7 -1,-0.1 1,-0.1 5,-0.1 -0.379 43.2 -88.3 -72.5 161.8 8.1 71.5 85.6 114 123 A D > - 0 0 98 1,-0.2 3,-2.0 -2,-0.1 4,-0.4 -0.524 41.0-127.0 -65.0 129.6 11.3 70.5 87.4 115 124 A P G > S+ 0 0 15 0, 0.0 3,-1.3 0, 0.0 4,-0.4 0.787 103.4 73.5 -55.9 -22.8 13.7 70.0 84.4 116 125 A E G 3 S+ 0 0 116 1,-0.3 4,-0.2 2,-0.1 3,-0.2 0.699 96.0 49.5 -64.0 -21.1 14.6 66.5 85.8 117 126 A V G <> S+ 0 0 57 -3,-2.0 4,-1.3 1,-0.2 3,-0.5 0.543 85.2 89.3 -98.5 -1.6 11.2 65.2 84.6 118 127 A V H <> S+ 0 0 0 -3,-1.3 4,-0.9 -4,-0.4 -1,-0.2 0.841 78.8 59.4 -63.3 -40.3 11.3 66.6 81.1 119 128 A A H >4 S+ 0 0 20 -4,-0.4 3,-0.8 1,-0.2 -1,-0.2 0.907 103.7 53.0 -60.0 -36.6 13.0 63.6 79.4 120 129 A S H >4 S+ 0 0 86 -3,-0.5 3,-1.3 1,-0.3 -1,-0.2 0.904 106.7 53.2 -67.4 -31.1 10.1 61.3 80.6 121 130 A E H 3< S+ 0 0 86 -4,-1.3 3,-0.3 1,-0.3 -1,-0.3 0.678 107.1 54.0 -72.4 -19.1 7.7 63.8 79.0 122 131 A L T XX + 0 0 0 -4,-0.9 3,-1.7 -3,-0.8 4,-1.3 0.168 66.9 120.0-104.7 23.9 9.7 63.5 75.7 123 132 A G H <> + 0 0 18 -3,-1.3 4,-2.5 1,-0.3 5,-0.2 0.815 67.6 65.7 -56.0 -30.7 9.6 59.7 75.4 124 133 A Y H 3> S+ 0 0 29 -3,-0.3 4,-1.7 1,-0.2 -1,-0.3 0.796 99.4 51.1 -63.8 -28.4 7.8 60.0 72.1 125 134 A V H <> S+ 0 0 2 -3,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.925 108.5 51.3 -74.7 -40.3 10.9 61.6 70.6 126 135 A F H X S+ 0 0 39 -4,-1.3 4,-2.7 1,-0.2 5,-0.2 0.934 110.0 51.4 -61.6 -39.5 13.0 58.7 71.9 127 136 A Q H X S+ 0 0 116 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.898 109.2 48.5 -62.5 -42.5 10.6 56.3 70.3 128 137 A A H X S+ 0 0 1 -4,-1.7 4,-2.7 2,-0.2 -1,-0.2 0.886 111.5 50.9 -65.8 -38.6 10.7 58.0 66.9 129 138 A I H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.950 111.8 45.8 -62.7 -49.1 14.6 58.0 67.1 130 139 A T H X S+ 0 0 45 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.950 115.1 48.8 -61.0 -45.7 14.8 54.2 67.8 131 140 A L H X S+ 0 0 23 -4,-2.5 4,-2.8 -5,-0.2 -1,-0.2 0.933 113.0 44.3 -61.0 -49.3 12.3 53.5 65.2 132 141 A T H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.867 110.4 55.5 -64.5 -38.2 14.0 55.6 62.4 133 142 A R H X>S+ 0 0 44 -4,-2.5 4,-0.8 -5,-0.2 5,-0.7 0.926 111.8 45.5 -62.0 -40.1 17.5 54.2 63.4 134 143 A Q H ><5S+ 0 0 96 -4,-2.1 3,-1.0 -5,-0.2 -2,-0.2 0.971 115.0 45.4 -66.4 -50.4 16.0 50.7 62.8 135 144 A R H 3<5S+ 0 0 128 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.809 104.4 61.0 -64.8 -31.7 14.3 51.6 59.6 136 145 A L H ><5S- 0 0 9 -4,-2.5 3,-1.9 -5,-0.2 -1,-0.3 0.779 91.4-155.9 -64.9 -24.6 17.3 53.4 58.2 137 146 A A T <<5 - 0 0 56 -3,-1.0 -3,-0.1 -4,-0.8 -133,-0.1 0.826 63.2 -55.3 53.2 39.8 19.1 50.1 58.5 138 147 A G T 3 - 0 0 0 60,-2.8 4,-2.6 -2,-0.3 5,-0.2 -0.413 33.8-103.4 -77.1 157.7 20.0 76.0 72.6 149 158 A P H > S+ 0 0 0 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.894 118.3 45.6 -49.2 -52.1 19.0 77.6 76.1 150 159 A W H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.954 113.7 49.1 -60.6 -48.4 18.9 81.3 74.9 151 160 A T H > S+ 0 0 0 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.924 112.7 47.2 -59.5 -40.8 17.0 80.5 71.7 152 161 A L H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.916 109.6 55.1 -66.5 -40.5 14.4 78.4 73.7 153 162 A M H X S+ 0 0 0 -4,-2.7 4,-2.4 -5,-0.2 5,-0.3 0.900 102.8 57.1 -57.5 -43.1 14.2 81.3 76.2 154 163 A T H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 6,-0.4 0.899 108.1 45.3 -57.1 -43.8 13.4 83.7 73.4 155 164 A Y H X S+ 0 0 36 -4,-1.5 4,-2.0 -3,-0.2 -1,-0.2 0.926 113.1 51.3 -66.1 -38.5 10.3 81.6 72.3 156 165 A M H < S+ 0 0 0 -4,-2.2 -53,-3.0 2,-0.2 -2,-0.2 0.836 119.8 33.6 -66.4 -35.9 9.1 81.2 75.9 157 166 A V H < S+ 0 0 0 -4,-2.4 -2,-0.2 -55,-0.2 -1,-0.2 0.875 123.3 42.5 -88.6 -41.9 9.3 85.0 76.6 158 167 A E H < S- 0 0 30 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.2 0.794 98.3-134.2 -74.6 -28.6 8.4 86.4 73.2 159 168 A G S < S- 0 0 8 -4,-2.0 -60,-2.2 -5,-0.4 2,-0.3 0.491 76.9 -9.8 85.8 4.8 5.6 83.8 72.7 160 169 A G S S- 0 0 8 -6,-0.4 -2,-0.2 -62,-0.2 -1,-0.2 -0.950 110.6 -25.7 164.2-159.1 6.7 83.2 69.1 161 170 A G - 0 0 57 -64,-0.4 2,-0.3 -2,-0.3 -65,-0.0 -0.219 53.9-175.3 -74.2 172.3 9.2 84.7 66.7 162 171 A S - 0 0 38 1,-0.1 -4,-0.0 -3,-0.0 -3,-0.0 -0.950 32.2-136.9-166.6 145.9 10.3 88.4 66.7 163 172 A S S S+ 0 0 111 -2,-0.3 -1,-0.1 1,-0.1 -2,-0.0 0.667 107.2 20.8 -83.5 -13.2 12.5 90.7 64.6 164 173 A T S S- 0 0 76 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.530 82.7-138.0-127.2 -15.9 14.2 92.2 67.7 165 174 A M > + 0 0 0 1,-0.1 4,-3.1 3,-0.1 5,-0.4 0.793 47.4 155.7 51.6 37.8 13.8 89.9 70.6 166 175 A A H > + 0 0 56 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.832 66.9 47.5 -64.5 -34.2 13.0 93.1 72.6 167 176 A Q H > S+ 0 0 59 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.917 115.6 43.2 -73.8 -43.0 11.0 91.3 75.3 168 177 A A H > S+ 0 0 0 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.903 116.4 47.8 -69.3 -42.5 13.6 88.5 75.9 169 178 A K H X S+ 0 0 61 -4,-3.1 4,-2.4 1,-0.2 5,-0.2 0.853 106.6 58.4 -67.5 -31.7 16.6 91.0 75.8 170 179 A R H X>S+ 0 0 100 -4,-1.5 4,-3.1 -5,-0.4 5,-0.5 0.907 103.7 52.4 -62.7 -38.1 14.6 93.2 78.2 171 180 A W H X5S+ 0 0 3 -4,-1.4 4,-2.4 3,-0.2 8,-0.3 0.942 107.5 51.7 -61.5 -44.7 14.7 90.2 80.5 172 181 A L H <5S+ 0 0 3 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.919 119.2 35.6 -57.6 -42.2 18.5 89.9 80.1 173 182 A Y H <5S+ 0 0 161 -4,-2.4 -2,-0.2 2,-0.1 -1,-0.2 0.889 131.1 27.6 -80.8 -39.1 19.0 93.6 81.0 174 183 A Q H <5S+ 0 0 129 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.733 131.3 32.2 -98.0 -25.9 16.2 94.1 83.6 175 184 A R X< + 0 0 70 -4,-2.4 4,-2.3 -5,-0.5 -1,-0.2 -0.498 67.1 153.0-127.3 59.5 15.8 90.6 85.1 176 185 A P H > S+ 0 0 57 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.911 74.8 48.8 -58.9 -39.6 19.4 89.1 84.9 177 186 A Q H > S+ 0 0 173 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.945 113.1 46.0 -64.7 -47.8 18.9 86.8 87.8 178 187 A A H > S+ 0 0 2 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.831 111.3 55.4 -61.4 -35.9 15.6 85.4 86.5 179 188 A S H X S+ 0 0 0 -4,-2.3 4,-2.9 -8,-0.3 -2,-0.2 0.954 109.0 44.5 -62.3 -51.9 17.1 85.1 83.1 180 189 A H H X S+ 0 0 64 -4,-2.6 4,-2.4 1,-0.2 5,-0.2 0.909 111.9 54.8 -59.4 -39.3 20.0 83.0 84.4 181 190 A Q H X S+ 0 0 92 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.947 111.6 43.8 -57.7 -49.5 17.4 80.9 86.5 182 191 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.913 113.0 51.0 -62.9 -43.0 15.4 80.2 83.3 183 192 A L H X S+ 0 0 0 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.859 110.7 49.4 -64.6 -35.2 18.5 79.4 81.2 184 193 A R H X S+ 0 0 77 -4,-2.4 4,-2.9 -5,-0.2 -2,-0.2 0.918 109.3 51.7 -70.0 -41.0 19.7 77.0 83.9 185 194 A I H X S+ 0 0 25 -4,-2.4 4,-1.2 1,-0.2 -2,-0.2 0.935 112.1 47.9 -59.1 -44.3 16.2 75.3 84.0 186 195 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 3,-0.3 0.908 111.9 48.3 -62.8 -44.2 16.5 75.0 80.2 187 196 A T H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.939 109.7 52.4 -61.0 -47.9 20.0 73.5 80.4 188 197 A D H < S+ 0 0 40 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.695 114.5 43.1 -62.3 -24.5 19.0 71.0 83.1 189 198 A A H X S+ 0 0 0 -4,-1.2 4,-1.6 -3,-0.3 -1,-0.2 0.812 112.9 52.3 -87.1 -39.7 16.1 69.8 80.9 190 199 A L H X S+ 0 0 0 -4,-2.6 4,-3.1 -5,-0.2 5,-0.3 0.866 101.7 59.4 -65.6 -40.2 18.2 69.8 77.6 191 200 A V H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.980 110.7 38.7 -56.8 -58.0 21.0 67.6 79.0 192 201 A P H > S+ 0 0 20 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.869 116.9 53.7 -64.8 -27.9 18.9 64.6 79.9 193 202 A Y H X S+ 0 0 3 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.955 111.5 42.7 -68.1 -50.2 16.8 65.0 76.8 194 203 A L H X S+ 0 0 2 -4,-3.1 4,-1.5 2,-0.2 -1,-0.2 0.907 114.5 51.0 -62.2 -41.5 19.9 65.0 74.5 195 204 A V H >X S+ 0 0 19 -4,-2.8 4,-2.6 -5,-0.3 3,-0.6 0.961 109.9 51.4 -59.8 -46.0 21.5 62.1 76.4 196 205 A G H 3X S+ 0 0 14 -4,-2.7 4,-2.4 1,-0.3 -1,-0.2 0.832 104.8 56.8 -60.4 -33.8 18.1 60.2 76.0 197 206 A Q H 3<>S+ 0 0 1 -4,-1.7 5,-3.0 2,-0.2 -1,-0.3 0.865 110.2 43.2 -65.0 -38.2 18.2 60.9 72.3 198 207 A V H X<5S+ 0 0 16 -4,-1.5 3,-1.7 -3,-0.6 -2,-0.2 0.930 111.1 54.2 -73.4 -43.6 21.6 59.2 72.0 199 208 A V H 3<5S+ 0 0 87 -4,-2.6 -2,-0.2 1,-0.3 -3,-0.2 0.898 109.0 52.1 -53.4 -39.9 20.4 56.3 74.3 200 209 A A T 3<5S- 0 0 8 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.558 137.4 -81.0 -75.4 -10.5 17.5 55.9 71.8 201 210 A G T < 5S+ 0 0 1 -3,-1.7 -59,-0.3 1,-0.3 -3,-0.2 0.435 75.4 146.9 131.2 -10.1 19.8 55.7 68.8 202 211 A A < - 0 0 3 -5,-3.0 -1,-0.3 -6,-0.1 -59,-0.2 -0.447 27.1-165.5 -61.8 139.0 21.0 59.2 67.7 203 212 A Q S S+ 0 0 23 -61,-3.1 2,-0.3 1,-0.2 -60,-0.2 0.336 71.9 14.5-107.3 -1.9 24.6 59.1 66.4 204 213 A A E S-c 143 0A 0 -62,-0.7 -60,-2.7 43,-0.2 2,-0.4 -0.921 70.8-142.3-162.8 159.1 25.3 62.9 66.4 205 214 A L E -cd 144 249A 2 43,-2.1 45,-2.8 -2,-0.3 2,-0.4 -0.999 6.0-161.4-133.8 140.4 23.6 65.9 68.1 206 215 A Q E -cd 145 250A 1 -62,-1.9 -60,-1.7 -2,-0.4 2,-0.5 -0.977 6.0-156.0-123.0 131.6 23.0 69.5 66.8 207 216 A L E -cd 146 251A 2 43,-2.8 45,-2.5 -2,-0.4 2,-0.8 -0.948 14.1-147.8-104.9 120.9 22.2 72.3 69.2 208 217 A F E +cd 147 252A 28 -62,-2.8 -60,-2.8 -2,-0.5 2,-0.7 -0.854 22.2 175.7 -95.7 101.9 20.3 75.1 67.3 209 218 A E E > + d 0 253A 0 43,-3.2 3,-1.3 -2,-0.8 45,-1.2 -0.666 19.9 160.6 -98.3 64.9 21.1 78.6 68.7 210 219 A S T 3 + 0 0 22 -2,-0.7 3,-0.2 1,-0.3 -1,-0.1 0.676 66.9 49.8 -62.8 -23.3 19.0 80.1 65.9 211 220 A H T > S+ 0 0 24 1,-0.2 3,-0.9 -3,-0.1 4,-0.3 0.027 72.7 113.9-106.0 25.8 18.5 83.4 67.7 212 221 A A G X + 0 0 0 -3,-1.3 3,-1.9 42,-0.3 43,-0.2 0.870 64.5 69.0 -62.9 -38.4 22.1 84.1 68.5 213 222 A G G 3 S+ 0 0 31 41,-1.5 -1,-0.2 1,-0.3 42,-0.1 0.614 84.6 66.5 -58.4 -23.4 22.3 87.1 66.2 214 223 A H G < S+ 0 0 54 -3,-0.9 -1,-0.3 2,-0.1 2,-0.3 0.679 95.7 67.8 -70.5 -25.0 20.1 89.4 68.3 215 224 A L S < S- 0 0 3 -3,-1.9 -50,-0.0 -4,-0.3 -46,-0.0 -0.631 78.2-143.9 -90.1 146.5 22.7 89.4 71.0 216 225 A G > - 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