==== 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 3GVQ . COMPND 2 MOLECULE: UROPORPHYRINOGEN DECARBOXYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.P.HILL,J.D.PHILLIPS,C.WARBY,F.G.WHITBY,J.P.KUSHNER . 356 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14639.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 241 67.7 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 . 0 0.0 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 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 11.8 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 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 . 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 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 0 116 0, 0.0 3,-0.1 0, 0.0 132,-0.1 0.000 360.0 360.0 360.0 143.6 21.1 48.7 63.9 2 12 A P - 0 0 43 0, 0.0 2,-0.3 0, 0.0 135,-0.2 -0.204 360.0 -93.8 -59.2 149.9 22.3 47.9 60.3 3 13 A E - 0 0 178 133,-0.1 2,-0.1 1,-0.1 0, 0.0 -0.490 43.1-112.7 -70.0 125.5 25.9 48.5 59.4 4 14 A L - 0 0 36 -2,-0.3 134,-0.2 1,-0.2 3,-0.2 -0.401 31.7-172.8 -59.8 127.5 26.3 52.0 57.9 5 15 A K S S+ 0 0 175 132,-4.0 2,-0.7 1,-0.3 133,-0.2 0.912 72.7 37.2 -88.9 -56.4 27.3 51.6 54.2 6 16 A N + 0 0 42 132,-1.1 -1,-0.3 131,-0.9 3,-0.1 -0.891 59.2 160.5-104.9 111.2 28.1 55.2 53.1 7 17 A D > + 0 0 66 -2,-0.7 4,-2.4 -3,-0.2 3,-0.3 0.105 33.3 119.9-116.1 18.5 29.8 57.1 55.9 8 18 A T H > S+ 0 0 15 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.915 76.2 53.7 -47.3 -49.1 31.4 59.9 53.8 9 19 A F H > S+ 0 0 0 60,-0.5 4,-1.9 1,-0.2 -1,-0.2 0.877 110.5 46.5 -54.4 -46.0 29.4 62.5 55.8 10 20 A L H > S+ 0 0 26 -3,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.907 112.1 49.6 -65.0 -42.6 30.8 61.2 59.1 11 21 A R H X>S+ 0 0 66 -4,-2.4 5,-2.4 2,-0.2 4,-0.5 0.946 112.7 46.9 -61.0 -49.2 34.4 61.0 57.9 12 22 A A H ><5S+ 0 0 3 -4,-2.9 3,-1.0 1,-0.2 -1,-0.2 0.878 110.1 55.4 -58.0 -40.4 34.2 64.5 56.5 13 23 A A H 3<5S+ 0 0 2 -4,-1.9 277,-0.3 -5,-0.3 -1,-0.2 0.832 107.3 47.7 -63.9 -36.1 32.7 65.6 59.8 14 24 A W H 3<5S- 0 0 114 -4,-1.8 -1,-0.3 -3,-0.3 -2,-0.2 0.490 124.2-103.3 -84.0 -4.6 35.6 64.2 61.9 15 25 A G T <<5S+ 0 0 32 -3,-1.0 -3,-0.2 -4,-0.5 307,-0.2 0.440 72.9 142.7 100.7 3.2 38.1 65.8 59.6 16 26 A E < - 0 0 97 -5,-2.4 -1,-0.3 -6,-0.2 306,-0.2 -0.443 56.1-102.7 -80.5 149.6 39.1 62.8 57.5 17 27 A E - 0 0 95 -2,-0.1 2,-0.3 304,-0.1 -1,-0.1 -0.380 42.1-170.1 -66.3 146.0 39.9 62.9 53.8 18 28 A T - 0 0 9 302,-0.3 3,-0.1 -2,-0.1 -1,-0.0 -0.891 34.6-116.2-137.2 166.1 37.2 61.5 51.5 19 29 A D S S+ 0 0 122 -2,-0.3 2,-0.3 1,-0.1 336,-0.1 0.583 98.4 3.0 -81.6 -14.4 36.8 60.6 47.8 20 30 A Y S S- 0 0 26 300,-0.1 -1,-0.1 334,-0.0 328,-0.1 -0.959 88.8 -87.9-160.3 164.6 34.1 63.3 47.2 21 31 A T - 0 0 2 326,-0.4 330,-0.1 -2,-0.3 303,-0.1 -0.694 42.6-133.0 -82.3 125.3 32.5 66.0 49.2 22 32 A P - 0 0 0 0, 0.0 303,-2.1 0, 0.0 2,-0.4 -0.471 25.9-164.6 -74.6 152.5 29.4 64.8 51.0 23 33 A V B +a 325 0A 0 301,-0.2 46,-2.8 44,-0.2 47,-0.4 -0.999 19.8 159.9-142.8 138.5 26.2 66.9 50.7 24 34 A W - 0 0 0 301,-1.6 2,-0.4 -2,-0.4 303,-0.3 -0.938 28.9-128.0-143.5 168.6 22.9 67.3 52.5 25 35 A C > - 0 0 0 -2,-0.3 3,-1.8 45,-0.2 4,-0.2 -0.972 19.1-120.1-124.8 128.0 20.3 70.1 52.6 26 36 A M T 3 S+ 0 0 6 -2,-0.4 305,-1.8 1,-0.3 303,-0.1 -0.388 106.7 15.9 -57.6 141.3 18.7 71.8 55.6 27 37 A R T 3 S+ 0 0 153 303,-0.2 -1,-0.3 1,-0.1 47,-0.0 0.750 76.9 151.0 54.2 31.3 14.9 71.2 55.2 28 38 A Q S < S+ 0 0 1 -3,-1.8 2,-0.9 1,-0.2 -2,-0.1 0.833 72.9 57.6 -58.8 -29.4 15.5 68.5 52.6 29 39 A A S S+ 0 0 10 -4,-0.2 2,-0.3 43,-0.1 -1,-0.2 -0.893 93.0 116.5 -95.7 101.2 12.2 67.1 54.0 30 40 A G S > S- 0 0 3 -2,-0.9 3,-2.5 28,-0.1 6,-0.3 -0.978 81.4 -78.3-162.3 170.7 10.1 70.2 53.3 31 41 A R T 3 S+ 0 0 132 1,-0.3 6,-0.2 -2,-0.3 301,-0.1 0.588 109.5 79.8 -56.7 -17.1 7.1 71.7 51.4 32 42 A Y T 3 S+ 0 0 2 299,-0.1 -1,-0.3 4,-0.1 3,-0.1 0.683 83.0 77.7 -62.7 -18.7 9.1 72.1 48.2 33 43 A L S X> S- 0 0 0 -3,-2.5 4,-1.7 1,-0.2 3,-0.8 -0.851 74.9-150.8 -94.3 121.9 8.4 68.3 47.8 34 44 A P H 3> S+ 0 0 56 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.912 100.0 54.7 -55.5 -43.6 4.8 67.6 46.5 35 45 A E H 3> S+ 0 0 39 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.721 104.2 56.0 -64.5 -24.0 4.9 64.2 48.4 36 46 A F H <> S+ 0 0 8 -3,-0.8 4,-1.4 -6,-0.3 -1,-0.2 0.943 108.6 45.4 -69.5 -52.5 5.8 66.1 51.6 37 47 A R H X S+ 0 0 107 -4,-1.7 4,-2.2 -6,-0.2 3,-0.3 0.924 112.3 54.9 -52.5 -48.7 2.7 68.4 51.3 38 48 A E H < S+ 0 0 146 -4,-2.5 4,-0.4 1,-0.2 -2,-0.2 0.927 110.5 40.9 -51.8 -57.0 0.6 65.2 50.5 39 49 A T H < S+ 0 0 38 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.666 115.9 52.9 -75.7 -13.3 1.6 63.2 53.6 40 50 A R H >< S+ 0 0 39 -4,-1.4 3,-1.9 -3,-0.3 -1,-0.2 0.802 94.9 68.4 -82.6 -33.8 1.3 66.3 55.8 41 51 A A T 3< S+ 0 0 86 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.629 87.6 70.5 -60.6 -14.1 -2.3 67.1 54.6 42 52 A A T 3 S- 0 0 86 -4,-0.4 -1,-0.3 -3,-0.2 -2,-0.1 0.536 116.8 -1.5 -81.0 -9.5 -3.5 64.0 56.5 43 53 A Q S < S- 0 0 65 -3,-1.9 2,-0.3 -4,-0.0 -3,-0.1 -0.249 89.2 -84.3-141.4-135.4 -2.9 65.5 59.9 44 54 A D >> - 0 0 95 -2,-0.1 4,-2.3 1,-0.1 3,-0.9 -0.936 49.0 -84.8-147.6 168.2 -1.6 68.9 61.3 45 55 A F H 3> S+ 0 0 40 45,-0.3 4,-1.3 -2,-0.3 3,-0.1 0.795 122.8 28.2 -43.9 -60.9 2.0 70.1 62.0 46 56 A F H 3> S+ 0 0 10 1,-0.2 4,-0.6 2,-0.2 -1,-0.3 0.587 115.8 62.8 -85.1 -10.7 2.8 68.8 65.5 47 57 A S H <4 S+ 0 0 48 -3,-0.9 4,-0.2 2,-0.2 -2,-0.2 0.831 102.6 50.5 -74.3 -38.9 0.4 65.8 65.1 48 58 A T H >< S+ 0 0 0 -4,-2.3 3,-1.9 1,-0.2 7,-0.3 0.918 104.6 57.4 -62.1 -46.2 2.7 64.6 62.2 49 59 A C H 3< S+ 0 0 1 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.830 101.9 58.9 -51.9 -31.8 5.7 65.0 64.5 50 60 A R T 3< S+ 0 0 109 -4,-0.6 -1,-0.3 -3,-0.1 -2,-0.2 0.500 88.7 79.8 -81.6 -6.0 3.9 62.6 66.9 51 61 A S <> - 0 0 37 -3,-1.9 4,-2.7 -4,-0.2 5,-0.3 -0.903 63.3-160.6-106.9 108.0 3.6 59.7 64.4 52 62 A P H > S+ 0 0 31 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.918 94.0 50.7 -49.7 -46.7 6.9 57.7 64.2 53 63 A E H > S+ 0 0 98 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.887 111.4 47.8 -62.4 -40.9 5.8 56.2 60.8 54 64 A A H > S+ 0 0 15 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.906 113.0 46.9 -66.2 -43.0 4.9 59.7 59.4 55 65 A C H X S+ 0 0 3 -4,-2.7 4,-2.4 -7,-0.3 19,-0.4 0.924 111.6 52.0 -66.9 -41.6 8.2 61.3 60.5 56 66 A C H X S+ 0 0 2 -4,-2.7 4,-2.2 -5,-0.3 -2,-0.2 0.949 110.2 49.6 -55.7 -49.2 10.1 58.3 59.1 57 67 A E H X S+ 0 0 66 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.905 110.5 47.8 -57.8 -49.5 8.3 58.7 55.8 58 68 A L H < S+ 0 0 0 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.899 111.5 52.6 -59.1 -41.7 9.0 62.5 55.5 59 69 A T H < S+ 0 0 2 -4,-2.4 4,-0.4 1,-0.2 13,-0.3 0.912 113.3 43.4 -57.6 -46.2 12.7 61.8 56.4 60 70 A L H >X S+ 0 0 24 -4,-2.2 4,-1.2 1,-0.2 3,-1.0 0.812 93.0 82.4 -71.9 -35.2 13.0 59.1 53.6 61 71 A Q H >X S+ 0 0 3 -4,-2.3 3,-1.3 1,-0.3 4,-0.9 0.854 92.8 45.0 -41.9 -57.8 11.2 61.0 50.9 62 72 A P H 3> S+ 0 0 0 0, 0.0 4,-2.7 0, 0.0 3,-0.4 0.824 106.4 61.4 -59.8 -32.0 14.2 63.2 49.8 63 73 A L H <4 S+ 0 0 11 -3,-1.0 -2,-0.2 -4,-0.4 -3,-0.1 0.768 100.3 55.2 -65.5 -24.1 16.5 60.2 49.8 64 74 A R H << S+ 0 0 144 -3,-1.3 -1,-0.2 -4,-1.2 -3,-0.1 0.779 115.2 38.9 -77.5 -25.9 14.3 58.6 47.1 65 75 A R H < S+ 0 0 94 -4,-0.9 -2,-0.2 -3,-0.4 -1,-0.1 0.854 123.3 28.6 -86.3 -40.2 14.8 61.6 44.9 66 76 A F S < S- 0 0 10 -4,-2.7 2,-2.2 278,-0.0 -1,-0.2 -0.949 73.8-120.2-133.7 141.1 18.4 62.5 45.5 67 77 A P + 0 0 72 0, 0.0 -44,-0.2 0, 0.0 2,-0.1 -0.410 49.0 176.7 -75.2 62.9 21.6 60.6 46.5 68 78 A L - 0 0 4 -2,-2.2 -44,-0.2 -6,-0.2 3,-0.0 -0.441 33.5-136.3 -71.5 144.5 22.0 62.7 49.6 69 79 A D S S+ 0 0 3 -46,-2.8 -60,-0.5 -2,-0.1 2,-0.3 0.430 83.5 21.3 -87.9 2.0 24.9 61.8 51.9 70 80 A A - 0 0 0 -47,-0.4 2,-0.4 69,-0.2 -45,-0.2 -0.977 65.4-139.0-159.0 153.9 22.9 62.1 55.1 71 81 A A E -b 141 0A 0 69,-2.5 71,-3.5 -2,-0.3 2,-0.5 -0.870 15.3-152.4-104.5 149.1 19.3 62.0 56.2 72 82 A I E -b 142 0A 16 -2,-0.4 71,-0.2 -13,-0.3 -43,-0.1 -0.992 27.8-109.2-120.6 131.3 18.1 64.4 58.9 73 83 A I - 0 0 4 69,-2.6 2,-0.6 -2,-0.5 -17,-0.1 -0.267 32.1-118.5 -55.3 138.4 15.1 63.4 61.1 74 84 A F + 0 0 20 -19,-0.4 2,-0.3 53,-0.1 -15,-0.1 -0.729 64.9 112.6 -80.2 122.9 11.9 65.3 60.4 75 85 A S - 0 0 14 -2,-0.6 2,-0.4 -3,-0.0 3,-0.1 -0.863 60.3-104.1-161.0-168.3 10.9 67.2 63.5 76 86 A D > - 0 0 21 -2,-0.3 3,-1.7 1,-0.1 4,-0.2 -0.995 15.7-131.2-132.4 146.9 10.6 70.8 64.5 77 87 A I T > S+ 0 0 24 -2,-0.4 3,-1.3 1,-0.3 69,-0.4 0.806 106.0 69.1 -60.2 -26.0 12.8 72.8 66.8 78 88 A L T 3> S+ 0 0 1 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.542 72.8 85.7 -74.1 -5.2 9.6 73.9 68.6 79 89 A V H <> S+ 0 0 1 -3,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.782 85.8 57.7 -64.7 -26.4 9.0 70.4 70.0 80 90 A V H <> S+ 0 0 0 -3,-1.3 4,-1.8 2,-0.2 -1,-0.2 0.969 107.6 41.5 -70.9 -57.0 11.3 71.3 73.0 81 91 A P H 4>S+ 0 0 0 0, 0.0 5,-2.2 0, 0.0 4,-0.2 0.888 116.7 52.7 -56.2 -37.9 9.4 74.4 74.3 82 92 A Q H ><5S+ 0 0 31 -4,-1.9 3,-2.0 1,-0.2 -2,-0.2 0.947 108.3 48.3 -59.9 -48.4 6.2 72.4 73.6 83 93 A A H 3<5S+ 0 0 2 -4,-2.3 -1,-0.2 1,-0.3 -3,-0.2 0.764 105.3 61.3 -61.1 -25.9 7.6 69.5 75.7 84 94 A L T 3<5S- 0 0 0 -4,-1.8 28,-2.9 -5,-0.1 -1,-0.3 0.523 132.5 -91.8 -76.2 -8.4 8.4 72.2 78.3 85 95 A G T < 5S+ 0 0 26 -3,-2.0 2,-0.4 1,-0.3 -3,-0.2 0.511 80.8 135.3 111.2 7.7 4.7 73.0 78.5 86 96 A M < - 0 0 1 -5,-2.2 2,-0.4 -6,-0.1 -1,-0.3 -0.733 52.5-125.0 -90.4 136.6 4.1 75.7 76.0 87 97 A E - 0 0 129 -2,-0.4 13,-0.4 13,-0.2 2,-0.3 -0.636 22.9-158.9 -81.9 132.8 1.1 75.4 73.8 88 98 A V - 0 0 19 -2,-0.4 10,-0.2 10,-0.2 -42,-0.0 -0.855 14.3-176.4-109.1 143.0 1.6 75.6 70.0 89 99 A T - 0 0 61 8,-2.3 2,-0.5 -2,-0.3 9,-0.1 -0.325 3.2-175.0-135.7 56.2 -1.0 76.5 67.3 90 100 A M - 0 0 34 7,-0.1 -45,-0.3 4,-0.1 -44,-0.1 -0.391 31.4-173.4 -52.2 103.9 0.6 76.1 63.9 91 101 A V > - 0 0 68 4,-0.6 3,-1.7 -2,-0.5 4,-0.5 -0.736 33.9 -31.1-124.8 154.2 -2.4 77.4 62.0 92 102 A P T 3 S- 0 0 110 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.478 117.9 -45.5 -8.2 74.6 -3.8 78.0 58.4 93 103 A G T 3 S+ 0 0 86 -3,-0.1 -3,-0.0 1,-0.1 0, 0.0 0.887 112.4 108.5 57.4 48.9 -0.5 78.5 56.6 94 104 A K < - 0 0 152 -3,-1.7 -1,-0.1 1,-0.2 -4,-0.1 0.489 64.8-146.9-125.7 -14.8 1.1 81.0 59.1 95 105 A G + 0 0 23 -4,-0.5 -4,-0.6 2,-0.1 -1,-0.2 -0.461 54.8 24.1 88.0-152.5 3.8 78.8 60.6 96 106 A P + 0 0 52 0, 0.0 64,-0.4 0, 0.0 2,-0.3 -0.182 67.5 170.4 -53.8 132.1 5.3 78.8 64.2 97 107 A S + 0 0 43 62,-0.1 -8,-2.3 3,-0.0 62,-0.2 -0.849 30.4 180.0-155.0 119.5 3.0 80.1 66.9 98 108 A F - 0 0 5 60,-3.1 -10,-0.2 -2,-0.3 -12,-0.0 -0.960 14.6-166.1-101.5 107.5 2.9 80.4 70.6 99 109 A P S S+ 0 0 58 0, 0.0 -1,-0.1 0, 0.0 -11,-0.1 0.731 87.3 42.2 -63.7 -22.7 -0.4 82.2 71.3 100 110 A E S S- 0 0 109 -13,-0.4 -13,-0.2 -3,-0.1 58,-0.1 -0.689 84.4-174.6-124.9 77.4 0.7 82.7 74.9 101 111 A P - 0 0 26 0, 0.0 2,-0.4 0, 0.0 55,-0.2 -0.173 37.6 -93.4 -63.3 161.3 4.4 83.7 74.8 102 112 A L + 0 0 0 53,-2.9 3,-0.1 1,-0.1 -4,-0.0 -0.649 53.5 160.8 -69.7 127.9 6.5 84.1 77.9 103 113 A R + 0 0 98 -2,-0.4 2,-0.3 1,-0.3 -1,-0.1 0.605 55.5 28.2-127.2 -21.5 6.4 87.8 78.8 104 114 A E S > S- 0 0 93 1,-0.1 3,-1.4 73,-0.0 4,-0.3 -0.909 83.3-102.3-137.2 169.3 7.5 88.2 82.4 105 115 A E G > S+ 0 0 105 -2,-0.3 3,-1.5 1,-0.3 4,-0.2 0.803 116.6 64.3 -58.3 -30.9 9.6 86.3 84.8 106 116 A Q G > S+ 0 0 125 1,-0.3 3,-1.8 2,-0.2 -1,-0.3 0.793 87.1 71.1 -66.1 -27.7 6.6 84.8 86.5 107 117 A D G X S+ 0 0 30 -3,-1.4 3,-1.6 1,-0.3 4,-0.3 0.690 78.9 77.2 -63.4 -19.8 5.8 82.9 83.2 108 118 A L G X S+ 0 0 10 -3,-1.5 3,-1.4 -4,-0.3 -1,-0.3 0.778 80.9 69.4 -59.8 -26.6 8.8 80.7 83.9 109 119 A E G < S+ 0 0 156 -3,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.686 86.6 68.1 -65.5 -20.2 6.6 78.8 86.5 110 120 A R G < S+ 0 0 97 -3,-1.6 -1,-0.3 -4,-0.2 -2,-0.2 0.725 84.6 93.4 -67.8 -24.5 4.5 77.5 83.6 111 121 A L S < S- 0 0 19 -3,-1.4 -26,-0.2 -4,-0.3 -27,-0.1 -0.434 77.3-117.0 -82.4 144.8 7.4 75.3 82.3 112 122 A R - 0 0 98 -28,-2.9 -1,-0.1 -2,-0.1 5,-0.1 -0.355 44.4 -88.6 -65.0 154.0 8.0 71.6 83.2 113 123 A D > - 0 0 90 1,-0.1 3,-2.1 -2,-0.1 4,-0.3 -0.517 40.3-125.4 -59.7 131.1 11.2 70.7 85.0 114 124 A P G > S+ 0 0 15 0, 0.0 3,-1.3 0, 0.0 4,-0.4 0.751 103.7 73.8 -59.6 -23.2 13.7 70.2 82.2 115 125 A E G 3 S+ 0 0 155 1,-0.3 4,-0.2 2,-0.1 3,-0.1 0.574 96.5 48.8 -65.5 -11.6 14.5 66.7 83.5 116 126 A V G <> S+ 0 0 56 -3,-2.1 4,-1.2 1,-0.1 -1,-0.3 0.464 85.3 89.4-106.7 -4.3 11.1 65.3 82.3 117 127 A V H <> S+ 0 0 0 -3,-1.3 4,-1.1 -4,-0.3 3,-0.3 0.863 80.0 59.5 -61.4 -39.1 11.3 66.7 78.8 118 128 A A H >4 S+ 0 0 23 -4,-0.4 3,-0.8 1,-0.2 -1,-0.2 0.913 104.6 50.9 -59.6 -41.8 13.1 63.6 77.3 119 129 A S H >4 S+ 0 0 89 1,-0.3 3,-0.8 -3,-0.2 -1,-0.2 0.801 107.2 53.9 -66.7 -29.3 10.1 61.5 78.4 120 130 A E H 3< S+ 0 0 71 -4,-1.2 3,-0.4 -3,-0.3 -1,-0.3 0.710 107.0 53.2 -70.4 -21.2 7.7 63.9 76.7 121 131 A L T XX + 0 0 0 -4,-1.1 3,-1.8 -3,-0.8 4,-1.3 0.188 67.9 120.2-107.9 16.5 9.7 63.6 73.5 122 132 A G H <> + 0 0 18 -3,-0.8 4,-2.4 1,-0.3 -1,-0.2 0.797 68.9 63.9 -44.0 -40.3 9.5 59.7 73.3 123 133 A Y H 3> S+ 0 0 18 -3,-0.4 4,-1.7 1,-0.2 -1,-0.3 0.801 101.1 51.0 -58.1 -33.4 7.8 60.0 69.9 124 134 A V H <> S+ 0 0 5 -3,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.933 108.8 49.6 -69.3 -49.0 10.9 61.6 68.4 125 135 A F H X S+ 0 0 37 -4,-1.3 4,-2.7 1,-0.2 5,-0.2 0.913 110.9 51.3 -54.7 -43.5 13.2 58.8 69.7 126 136 A Q H X S+ 0 0 115 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.896 109.7 49.1 -62.4 -40.7 10.7 56.3 68.2 127 137 A A H X S+ 0 0 1 -4,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.887 111.2 50.5 -66.4 -38.5 10.8 58.1 64.9 128 138 A I H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.935 111.7 46.5 -65.0 -46.9 14.6 58.1 65.0 129 139 A T H X S+ 0 0 49 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.936 115.1 47.4 -59.6 -49.0 14.9 54.3 65.8 130 140 A L H X S+ 0 0 34 -4,-2.4 4,-2.7 -5,-0.2 -1,-0.2 0.921 113.4 47.1 -57.2 -47.8 12.4 53.5 63.1 131 141 A T H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.899 110.0 52.5 -65.1 -41.4 14.2 55.7 60.5 132 142 A R H X>S+ 0 0 45 -4,-2.7 4,-0.9 2,-0.2 5,-0.7 0.934 113.2 45.4 -59.3 -46.4 17.6 54.3 61.4 133 143 A Q H ><5S+ 0 0 99 -4,-2.5 3,-0.6 -5,-0.2 -2,-0.2 0.932 115.0 46.8 -59.2 -47.7 16.2 50.8 60.9 134 144 A R H 3<5S+ 0 0 124 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.821 105.5 57.6 -71.4 -32.0 14.4 51.7 57.6 135 145 A L H ><5S- 0 0 11 -4,-2.6 3,-1.9 -5,-0.2 -1,-0.3 0.753 92.4-156.4 -65.7 -26.8 17.4 53.5 56.1 136 146 A A T <<5 - 0 0 53 -4,-0.9 -3,-0.1 -3,-0.6 -133,-0.1 0.833 63.5 -53.5 53.2 40.2 19.2 50.2 56.6 137 147 A G T 3 - 0 0 0 60,-2.4 4,-2.5 -2,-0.2 5,-0.3 -0.385 32.8-106.7 -69.6 155.4 20.0 76.2 70.5 148 158 A P H > S+ 0 0 0 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.889 118.2 48.4 -52.6 -51.9 18.9 77.7 73.8 149 159 A W H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.932 113.5 48.5 -54.9 -46.5 19.0 81.3 72.6 150 160 A T H > S+ 0 0 0 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.896 112.1 47.7 -62.4 -39.2 17.0 80.5 69.5 151 161 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.898 109.4 55.1 -69.2 -38.8 14.4 78.5 71.4 152 162 A M H X S+ 0 0 0 -4,-2.8 4,-2.3 -5,-0.3 5,-0.3 0.924 103.2 55.0 -58.0 -44.5 14.2 81.4 73.9 153 163 A T H X S+ 0 0 0 -4,-2.3 4,-3.1 1,-0.2 6,-0.4 0.921 110.8 46.1 -55.9 -44.0 13.4 83.9 71.0 154 164 A Y H X S+ 0 0 32 -4,-1.6 4,-2.1 1,-0.2 -1,-0.2 0.923 112.1 49.8 -63.0 -44.3 10.5 81.7 70.0 155 165 A M H < S+ 0 0 0 -4,-2.5 -53,-2.9 1,-0.2 -2,-0.2 0.826 121.2 34.2 -65.0 -33.8 9.2 81.3 73.5 156 166 A V H < S+ 0 0 0 -4,-2.3 -2,-0.2 -55,-0.2 -1,-0.2 0.863 122.5 42.8 -89.8 -44.4 9.3 85.1 74.2 157 167 A E H < S- 0 0 29 -4,-3.1 -3,-0.2 -5,-0.3 -2,-0.2 0.787 100.0-130.6 -72.2 -31.7 8.4 86.5 70.7 158 168 A G S < S- 0 0 10 -4,-2.1 -60,-3.1 -5,-0.4 2,-0.3 0.234 74.7 -23.7 95.9 -9.6 5.6 83.9 70.2 159 169 A G S S- 0 0 7 -6,-0.4 -2,-0.2 -62,-0.2 -1,-0.1 -0.926 111.7 -3.1 170.1-149.8 7.0 83.1 66.8 160 170 A G - 0 0 62 -64,-0.4 2,-0.3 -2,-0.3 -1,-0.0 -0.247 57.5-177.3 -67.9 153.5 9.2 84.7 64.1 161 171 A S - 0 0 36 1,-0.1 -3,-0.0 -3,-0.0 -4,-0.0 -0.992 32.1-146.3-153.3 148.8 10.5 88.3 64.4 162 172 A S S S+ 0 0 110 -2,-0.3 -1,-0.1 1,-0.1 -2,-0.0 0.704 103.9 19.1 -86.1 -20.6 12.5 90.8 62.4 163 173 A T S S- 0 0 79 0, 0.0 5,-0.1 0, 0.0 -1,-0.1 0.566 80.9-139.0-123.0 -18.9 14.1 92.5 65.5 164 174 A M > + 0 0 0 3,-0.1 4,-3.5 1,-0.1 5,-0.3 0.796 49.2 154.6 50.7 30.0 13.8 90.0 68.4 165 175 A A H > + 0 0 53 1,-0.2 4,-1.8 2,-0.2 -1,-0.1 0.846 66.7 45.4 -54.6 -41.2 13.1 93.3 70.3 166 176 A Q H > S+ 0 0 70 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.916 115.8 45.7 -70.2 -44.1 11.1 91.5 73.0 167 177 A A H > S+ 0 0 0 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.922 115.4 46.3 -65.6 -45.6 13.6 88.7 73.4 168 178 A K H X S+ 0 0 59 -4,-3.5 4,-2.3 1,-0.2 -1,-0.2 0.825 106.2 60.3 -68.3 -31.2 16.6 91.2 73.5 169 179 A R H X>S+ 0 0 138 -4,-1.8 4,-3.4 -5,-0.3 5,-0.5 0.894 103.2 52.3 -59.0 -40.0 14.5 93.3 75.9 170 180 A W H X5S+ 0 0 4 -4,-1.6 4,-2.4 3,-0.2 8,-0.3 0.933 108.1 50.6 -59.5 -46.3 14.6 90.3 78.3 171 181 A L H <5S+ 0 0 4 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.912 120.2 35.1 -57.6 -43.8 18.4 90.1 77.9 172 182 A Y H <5S+ 0 0 161 -4,-2.3 -2,-0.2 2,-0.1 -1,-0.2 0.900 131.5 27.9 -80.5 -43.1 18.8 93.8 78.8 173 183 A Q H <5S+ 0 0 119 -4,-3.4 -3,-0.2 1,-0.2 -2,-0.2 0.758 132.2 31.2 -89.9 -29.6 16.0 94.3 81.3 174 184 A R X< + 0 0 90 -4,-2.4 4,-2.4 -5,-0.5 -1,-0.2 -0.468 65.6 152.2-127.8 59.6 15.7 90.7 82.8 175 185 A P H > S+ 0 0 53 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.866 76.0 48.9 -60.1 -40.6 19.3 89.2 82.7 176 186 A Q H > S+ 0 0 173 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.938 114.2 44.7 -63.0 -49.9 18.8 86.9 85.7 177 187 A A H > S+ 0 0 2 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.861 112.6 53.4 -62.3 -37.3 15.4 85.5 84.4 178 188 A S H X S+ 0 0 0 -4,-2.4 4,-2.7 -8,-0.3 -2,-0.2 0.950 108.4 47.8 -62.4 -51.7 17.0 85.2 80.9 179 189 A H H X S+ 0 0 67 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.900 112.1 52.0 -54.8 -41.7 19.9 83.1 82.3 180 190 A Q H X S+ 0 0 93 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.967 111.0 46.0 -58.7 -53.3 17.3 81.0 84.2 181 191 A L H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.894 113.3 50.3 -53.8 -44.0 15.3 80.4 81.0 182 192 A L H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.839 110.8 48.2 -67.8 -36.8 18.5 79.6 79.1 183 193 A R H X S+ 0 0 90 -4,-2.3 4,-3.0 2,-0.2 -2,-0.2 0.917 110.1 52.1 -67.1 -46.2 19.7 77.1 81.7 184 194 A I H X S+ 0 0 24 -4,-2.7 4,-1.4 2,-0.2 -2,-0.2 0.932 112.2 47.2 -52.3 -46.8 16.2 75.4 81.7 185 195 A L H X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.2 3,-0.5 0.938 112.7 48.3 -63.4 -46.6 16.5 75.1 77.9 186 196 A T H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.902 110.6 51.5 -53.6 -48.3 20.1 73.7 78.2 187 197 A D H < S+ 0 0 56 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.701 114.3 43.6 -68.6 -23.5 19.0 71.2 80.8 188 198 A A H X S+ 0 0 0 -4,-1.4 4,-1.4 -3,-0.5 -2,-0.2 0.822 112.7 52.7 -83.4 -41.1 16.1 70.0 78.6 189 199 A L H X S+ 0 0 0 -4,-2.9 4,-3.0 -5,-0.2 5,-0.3 0.873 100.8 59.5 -64.2 -40.9 18.2 69.9 75.5 190 200 A V H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.967 110.2 39.4 -59.2 -58.5 21.1 67.8 76.8 191 201 A P H > S+ 0 0 20 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.850 115.9 54.7 -58.8 -32.8 18.9 64.7 77.7 192 202 A Y H X S+ 0 0 2 -4,-1.4 4,-1.8 2,-0.2 -2,-0.2 0.951 111.4 42.5 -63.9 -49.2 16.9 65.2 74.5 193 203 A L H X S+ 0 0 2 -4,-3.0 4,-1.6 2,-0.2 -1,-0.2 0.881 114.8 49.8 -64.2 -42.2 20.0 65.1 72.3 194 204 A V H X S+ 0 0 18 -4,-2.5 4,-3.1 -5,-0.3 3,-0.5 0.966 110.0 53.0 -58.5 -50.4 21.5 62.2 74.3 195 205 A G H X S+ 0 0 13 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.843 105.0 54.1 -50.7 -40.3 18.1 60.4 73.8 196 206 A Q H <>S+ 0 0 0 -4,-1.8 5,-3.3 2,-0.2 4,-0.3 0.859 111.6 44.9 -63.7 -38.0 18.3 61.0 70.0 197 207 A V H ><5S+ 0 0 15 -4,-1.6 3,-1.0 -3,-0.5 -2,-0.2 0.917 111.3 52.0 -71.2 -44.9 21.7 59.3 70.0 198 208 A V H 3<5S+ 0 0 87 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.879 109.6 51.6 -56.0 -38.5 20.5 56.5 72.2 199 209 A A T 3<5S- 0 0 9 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.571 136.7 -84.9 -76.2 -13.2 17.6 56.0 69.7 200 210 A G T < 5S+ 0 0 2 -3,-1.0 -59,-0.3 -4,-0.3 -3,-0.2 0.501 72.1 150.9 126.0 2.8 20.0 55.9 66.9 201 211 A A < - 0 0 3 -5,-3.3 -1,-0.3 1,-0.1 -59,-0.2 -0.427 27.9-161.0 -60.4 137.4 21.1 59.3 65.6 202 212 A Q S S+ 0 0 21 -61,-3.1 2,-0.3 1,-0.2 -60,-0.2 0.432 72.1 13.9-103.2 -2.0 24.6 59.2 64.2 203 213 A A E -c 142 0A 0 -62,-0.8 -60,-3.0 43,-0.2 2,-0.4 -0.949 69.8-139.6-162.0 160.5 25.3 63.0 64.3 204 214 A L E -cd 143 248A 1 43,-2.4 45,-2.9 -2,-0.3 2,-0.5 -0.994 6.4-160.7-135.3 136.6 23.7 66.0 65.9 205 215 A Q E -cd 144 249A 1 -62,-2.1 -60,-1.8 -2,-0.4 2,-0.6 -0.965 5.8-156.1-116.9 129.2 23.0 69.5 64.7 206 216 A L E -cd 145 250A 3 43,-3.7 45,-2.8 -2,-0.5 2,-0.9 -0.918 14.1-149.4 -99.9 124.0 22.4 72.4 67.0 207 217 A F E +cd 146 251A 28 -62,-2.4 -60,-2.4 -2,-0.6 2,-1.0 -0.821 20.6 176.3-102.5 98.9 20.4 75.2 65.2 208 218 A E E > + d 0 252A 0 43,-3.2 3,-1.0 -2,-0.9 45,-1.0 -0.669 17.5 160.7 -96.5 73.6 21.2 78.7 66.5 209 219 A S T 3 + 0 0 22 -2,-1.0 3,-0.3 1,-0.2 -1,-0.2 0.735 68.2 48.0 -68.5 -27.4 19.0 80.3 63.8 210 220 A H T > S+ 0 0 22 1,-0.2 3,-0.7 -3,-0.2 4,-0.3 -0.007 74.8 113.8-109.8 27.3 18.6 83.7 65.6 211 221 A A G X + 0 0 0 -3,-1.0 3,-2.0 42,-0.3 -1,-0.2 0.880 66.3 63.4 -55.9 -48.2 22.2 84.2 66.4 212 222 A G G 3 S+ 0 0 29 41,-1.3 -1,-0.2 -3,-0.3 42,-0.1 0.582 85.8 70.9 -69.8 -13.1 22.7 87.3 64.2 213 223 A H G < S+ 0 0 51 -3,-0.7 2,-0.3 2,-0.1 -1,-0.3 0.682 93.6 70.0 -70.5 -22.0 20.2 89.5 66.1 214 224 A L S < S- 0 0 4 -3,-2.0 -50,-0.0 -4,-0.3 -46,-0.0 -0.725 79.7-137.3 -93.1 144.3 22.8 89.6 68.9 215 225 A G > - 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