==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 18-JUN-01 1JEO . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN MJ1247; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOCALDOCOCCUS JANNASCHII; . AUTHOR L.A.MARTINEZ-CRUZ,M.K.DREYER,D.C.BOISVERT,H.YOKOTA,M.L.MARTI . 177 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10222.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 132 74.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 11.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 9 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 73 41.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.1 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 1 0 0 1 0 0 0 2 0 0 0 0 2 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 2 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 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 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 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 4 A L > 0 0 160 0, 0.0 4,-1.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 63.0 47.1 68.6 50.6 2 5 A E H > + 0 0 123 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.856 360.0 52.9 -64.3 -41.2 46.5 64.9 51.2 3 6 A E H > S+ 0 0 65 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.873 107.4 50.1 -66.9 -39.4 44.8 65.3 54.6 4 7 A L H > S+ 0 0 104 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.851 110.2 51.8 -68.3 -34.3 42.2 67.9 53.4 5 8 A D H X S+ 0 0 87 -4,-1.4 4,-2.0 2,-0.2 -1,-0.2 0.847 109.0 50.0 -69.9 -35.8 41.3 65.5 50.5 6 9 A I H X S+ 0 0 27 -4,-1.6 4,-1.6 2,-0.2 126,-0.2 0.935 112.7 46.4 -68.8 -43.8 40.8 62.6 52.9 7 10 A V H X S+ 0 0 34 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.921 112.0 51.6 -64.6 -43.6 38.5 64.7 55.2 8 11 A S H X S+ 0 0 59 -4,-2.5 4,-1.0 1,-0.2 -1,-0.2 0.874 112.0 45.5 -60.8 -40.7 36.6 66.0 52.1 9 12 A N H X S+ 0 0 98 -4,-2.0 4,-0.5 1,-0.2 -1,-0.2 0.762 108.0 58.3 -75.2 -25.3 36.0 62.5 50.8 10 13 A N H >< S+ 0 0 3 -4,-1.6 3,-0.6 1,-0.2 4,-0.3 0.840 103.3 52.3 -71.2 -34.8 35.0 61.3 54.3 11 14 A I H >< S+ 0 0 52 -4,-1.6 3,-1.2 1,-0.2 -1,-0.2 0.834 101.8 61.2 -70.9 -30.5 32.2 63.9 54.5 12 15 A L H >< S+ 0 0 115 -4,-1.0 3,-1.5 1,-0.3 -1,-0.2 0.717 88.4 71.2 -69.3 -20.4 30.9 62.6 51.1 13 16 A I G X< S+ 0 0 50 -3,-0.6 3,-1.3 -4,-0.5 -1,-0.3 0.771 85.2 69.4 -66.5 -24.0 30.3 59.1 52.7 14 17 A L G X S+ 0 0 5 -3,-1.2 3,-1.1 -4,-0.3 -1,-0.3 0.594 76.1 82.7 -72.5 -8.8 27.4 60.7 54.6 15 18 A K G X> S+ 0 0 140 -3,-1.5 3,-2.0 1,-0.2 4,-1.6 0.790 75.2 73.3 -65.3 -26.9 25.4 61.0 51.3 16 19 A K H <> S+ 0 0 48 -3,-1.3 4,-1.7 1,-0.3 8,-0.3 0.784 84.7 65.6 -57.4 -32.9 24.3 57.4 51.8 17 20 A F H <4 S+ 0 0 4 -3,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.564 111.9 33.8 -69.0 -9.2 21.9 58.5 54.6 18 21 A Y H <4 S+ 0 0 91 -3,-2.0 -2,-0.2 -4,-0.1 -1,-0.2 0.645 128.7 31.6-115.2 -30.2 19.9 60.4 52.0 19 22 A T H < S+ 0 0 84 -4,-1.6 2,-0.5 1,-0.1 -3,-0.2 0.804 104.1 67.6-101.8 -37.6 20.2 58.3 48.8 20 23 A N >X - 0 0 72 -4,-1.7 4,-2.1 -5,-0.2 3,-0.5 -0.789 68.6-143.6 -94.2 129.0 20.5 54.6 49.9 21 24 A D H 3> S+ 0 0 128 -2,-0.5 4,-1.5 1,-0.2 -1,-0.1 0.798 96.9 53.8 -57.4 -38.9 17.5 52.9 51.5 22 25 A E H 3> S+ 0 0 135 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.815 115.6 40.1 -69.1 -30.6 19.4 50.7 54.0 23 26 A W H <> S+ 0 0 29 -3,-0.5 4,-1.6 -7,-0.3 -2,-0.2 0.810 110.3 57.2 -88.1 -31.0 21.2 53.7 55.4 24 27 A K H X S+ 0 0 67 -4,-2.1 4,-2.6 -8,-0.3 -2,-0.2 0.844 103.7 56.6 -66.3 -33.9 18.2 56.1 55.3 25 28 A N H X S+ 0 0 104 -4,-1.5 4,-2.3 2,-0.2 -1,-0.2 0.851 103.8 52.1 -65.9 -38.1 16.5 53.5 57.5 26 29 A K H X S+ 0 0 52 -4,-0.6 4,-2.0 2,-0.2 -2,-0.2 0.905 112.7 45.0 -65.9 -40.1 19.2 53.8 60.1 27 30 A L H X S+ 0 0 7 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.897 114.1 49.0 -69.2 -43.1 18.8 57.6 60.2 28 31 A D H X S+ 0 0 54 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.876 111.8 49.5 -64.6 -38.5 15.0 57.3 60.3 29 32 A S H X S+ 0 0 26 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.894 109.2 51.8 -68.8 -39.8 15.2 54.8 63.2 30 33 A L H X S+ 0 0 0 -4,-2.0 4,-1.5 1,-0.2 -2,-0.2 0.933 113.6 44.1 -61.9 -46.1 17.6 57.0 65.2 31 34 A I H X S+ 0 0 2 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.877 112.1 52.5 -66.8 -40.4 15.2 60.0 64.8 32 35 A D H X S+ 0 0 78 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.908 110.5 47.8 -63.7 -42.3 12.2 57.9 65.6 33 36 A R H X S+ 0 0 48 -4,-2.3 4,-1.2 2,-0.2 -1,-0.2 0.817 110.0 53.1 -68.4 -33.0 13.8 56.6 68.8 34 37 A I H < S+ 0 0 0 -4,-1.5 -2,-0.2 2,-0.2 -1,-0.2 0.897 112.1 44.3 -69.3 -41.3 14.8 60.1 69.9 35 38 A I H < S+ 0 0 73 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.845 116.7 46.2 -72.9 -33.8 11.2 61.4 69.5 36 39 A K H < S+ 0 0 157 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.656 92.8 99.1 -84.7 -17.8 9.7 58.4 71.3 37 40 A A < - 0 0 18 -4,-1.2 44,-0.2 -5,-0.1 28,-0.2 -0.361 62.4-149.3 -73.1 149.8 12.1 58.3 74.2 38 41 A K S S+ 0 0 134 42,-2.0 27,-0.4 1,-0.4 2,-0.3 0.940 87.3 6.9 -79.1 -55.9 11.3 59.8 77.6 39 42 A K S S- 0 0 14 41,-0.2 43,-2.1 39,-0.1 2,-0.5 -0.949 72.9-143.3-128.6 145.3 14.9 60.8 78.4 40 43 A I E -ab 66 82A 2 25,-3.1 27,-2.4 -2,-0.3 2,-0.4 -0.956 12.5-164.0-115.1 127.1 18.0 60.5 76.1 41 44 A F E -ab 67 83A 5 41,-3.4 43,-2.9 -2,-0.5 2,-0.4 -0.926 2.9-168.7-114.0 130.5 21.5 59.5 77.4 42 45 A I E +ab 68 84A 0 25,-2.4 27,-2.5 -2,-0.4 2,-0.3 -0.937 9.8 172.7-118.3 141.6 24.7 60.0 75.5 43 46 A F E + b 0 85A 29 41,-1.9 43,-2.0 -2,-0.4 2,-0.3 -0.998 10.3 140.4-149.3 150.1 28.1 58.6 76.4 44 47 A G - 0 0 4 -2,-0.3 2,-0.3 25,-0.2 43,-0.1 -0.920 37.6-118.5-175.9 159.8 31.6 58.3 75.0 45 48 A V >> - 0 0 66 41,-0.5 3,-1.1 -2,-0.3 4,-0.8 -0.798 70.0 -20.7-112.0 150.6 35.2 58.5 76.3 46 49 A G H >> S- 0 0 39 -2,-0.3 4,-1.3 1,-0.2 3,-0.5 -0.198 130.5 -7.1 57.5-133.8 37.9 61.0 75.3 47 50 A R H 3> S+ 0 0 128 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.816 135.7 58.3 -64.5 -31.5 37.4 62.9 72.0 48 51 A S H <> S+ 0 0 10 -3,-1.1 4,-1.6 1,-0.2 -1,-0.2 0.852 106.3 51.1 -66.9 -31.3 34.4 60.7 71.1 49 52 A G H S+ 0 0 0 -4,-2.3 5,-2.0 1,-0.2 -1,-0.2 0.864 109.1 50.8 -68.1 -34.1 19.2 67.9 71.7 60 63 A M H ><5S+ 0 0 73 -4,-1.4 3,-1.8 1,-0.2 -2,-0.2 0.898 103.9 58.3 -68.2 -41.2 18.6 69.9 74.9 61 64 A H H 3<5S+ 0 0 6 -4,-1.9 111,-0.3 1,-0.3 -1,-0.2 0.789 104.2 52.6 -59.1 -30.4 18.4 73.1 72.8 62 65 A L T 3<5S- 0 0 10 -4,-1.1 -1,-0.3 -3,-0.2 -2,-0.2 0.451 126.9 -97.4 -86.1 -4.5 15.5 71.5 70.8 63 66 A G T < 5S+ 0 0 41 -3,-1.8 -3,-0.2 1,-0.3 -2,-0.1 0.436 77.7 133.5 104.8 -0.4 13.5 70.6 74.0 64 67 A F < - 0 0 37 -5,-2.0 2,-1.5 1,-0.1 -1,-0.3 -0.439 67.3-110.3 -80.8 155.6 14.4 67.0 74.6 65 68 A K + 0 0 104 -27,-0.4 -25,-3.1 -28,-0.2 2,-0.3 -0.750 55.5 175.2 -86.7 86.8 15.3 65.7 78.1 66 69 A S E +a 40 0A 15 -2,-1.5 2,-0.3 -27,-0.2 -25,-0.2 -0.804 10.9 176.9-101.3 141.7 19.0 65.1 77.1 67 70 A Y E -a 41 0A 65 -27,-2.4 -25,-2.4 -2,-0.3 2,-0.5 -0.982 24.6-140.5-143.3 150.8 21.8 64.0 79.4 68 71 A F E > -a 42 0A 9 -2,-0.3 3,-1.5 -27,-0.2 -25,-0.2 -0.978 33.3-119.0-111.8 127.0 25.5 63.1 79.2 69 72 A V T 3 S+ 0 0 36 -27,-2.5 -25,-0.2 -2,-0.5 3,-0.1 -0.426 97.1 34.0 -66.6 129.4 26.5 60.1 81.4 70 73 A G T 3 S+ 0 0 76 1,-0.4 -1,-0.2 -2,-0.2 2,-0.2 0.116 91.8 116.9 112.4 -18.2 29.1 61.1 84.0 71 74 A E S X S- 0 0 97 -3,-1.5 3,-1.9 1,-0.0 -1,-0.4 -0.481 75.5 -99.9 -91.2 155.4 27.9 64.6 84.7 72 75 A T T 3 S+ 0 0 146 1,-0.3 -1,-0.0 -2,-0.2 -2,-0.0 0.754 113.5 29.7 -32.4 -61.2 26.5 66.2 87.8 73 76 A T T 3 S+ 0 0 119 2,-0.0 -1,-0.3 0, 0.0 -2,-0.0 0.132 81.8 130.9 -99.8 23.4 22.7 66.2 87.3 74 77 A T < - 0 0 36 -3,-1.9 -4,-0.1 -6,-0.2 -7,-0.1 -0.638 43.6-155.8 -79.0 119.1 22.4 63.0 85.1 75 78 A P - 0 0 55 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.087 28.1 -57.1 -84.0-171.4 19.7 60.8 86.6 76 79 A S - 0 0 81 1,-0.1 2,-0.5 -2,-0.0 0, 0.0 -0.325 49.3-116.8 -70.3 145.3 18.8 57.1 86.5 77 80 A Y - 0 0 40 -2,-0.1 2,-0.2 4,-0.1 -1,-0.1 -0.755 38.9-167.6 -84.7 122.8 18.3 55.2 83.2 78 81 A E > - 0 0 108 -2,-0.5 3,-1.7 -39,-0.1 -39,-0.1 -0.624 35.0 -94.6-110.3 171.0 14.7 54.0 83.1 79 82 A K T 3 S+ 0 0 145 1,-0.3 29,-0.2 -2,-0.2 28,-0.2 0.740 120.7 49.4 -56.4 -29.6 12.8 51.5 80.8 80 83 A D T 3 S+ 0 0 97 26,-0.1 -42,-2.0 2,-0.1 -1,-0.3 0.246 95.6 103.1 -96.8 13.3 11.4 54.2 78.4 81 84 A D < - 0 0 0 -3,-1.7 2,-0.4 -44,-0.2 27,-0.2 -0.388 61.1-134.1 -94.7 170.6 14.8 55.8 77.9 82 85 A L E -b 40 0A 0 -43,-2.1 -41,-3.4 -2,-0.1 2,-0.4 -0.976 8.7-159.9-128.0 137.0 17.4 55.8 75.1 83 86 A L E -bc 41 109A 2 25,-2.2 27,-2.8 -2,-0.4 2,-0.5 -0.975 4.0-167.2-118.6 127.8 21.2 55.4 75.3 84 87 A I E -bc 42 110A 0 -43,-2.9 -41,-1.9 -2,-0.4 2,-0.4 -0.976 7.4-163.6-116.3 121.9 23.5 56.5 72.4 85 88 A L E -bc 43 111A 1 25,-3.2 27,-3.1 -2,-0.5 2,-0.5 -0.902 4.6-164.8-110.1 132.6 27.1 55.3 72.5 86 89 A I E + c 0 112A 0 -43,-2.0 -41,-0.5 -2,-0.4 2,-0.3 -0.983 24.2 149.6-119.6 116.7 29.9 56.9 70.4 87 90 A S E - c 0 113A 5 25,-2.3 27,-0.6 -2,-0.5 28,-0.2 -0.965 38.5-148.6-151.0 133.7 33.1 54.9 70.1 88 91 A G S S+ 0 0 10 -2,-0.3 27,-2.4 25,-0.2 26,-1.9 0.986 102.5 17.3 -63.5 -62.3 35.8 54.6 67.4 89 92 A S S S- 0 0 21 25,-0.2 28,-0.4 24,-0.1 -1,-0.2 0.699 93.0-136.5 -84.0 -23.6 36.9 51.0 67.9 90 93 A G S S+ 0 0 0 27,-0.1 29,-2.2 26,-0.1 30,-0.2 0.593 83.3 95.4 75.2 12.9 33.8 50.0 69.9 91 94 A R + 0 0 143 27,-0.2 5,-0.1 26,-0.2 -1,-0.0 0.499 42.7 131.7-110.4 -9.2 36.1 48.1 72.3 92 95 A T >> - 0 0 52 1,-0.1 4,-1.8 2,-0.1 3,-0.8 -0.262 53.1-142.1 -54.2 118.7 36.6 50.7 75.1 93 96 A E H 3> S+ 0 0 131 1,-0.2 4,-1.8 2,-0.2 -1,-0.1 0.825 97.9 54.3 -52.3 -40.1 36.0 49.1 78.5 94 97 A S H 3> S+ 0 0 68 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.799 108.9 49.2 -67.8 -29.9 34.2 52.1 80.0 95 98 A V H <> S+ 0 0 2 -3,-0.8 4,-2.1 2,-0.2 -1,-0.2 0.872 110.0 51.9 -75.4 -36.9 31.7 52.2 77.1 96 99 A L H X S+ 0 0 10 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.840 105.6 55.2 -67.0 -34.8 31.1 48.4 77.6 97 100 A T H X S+ 0 0 72 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.921 110.9 44.2 -63.4 -46.3 30.4 48.9 81.3 98 101 A V H X S+ 0 0 31 -4,-1.3 4,-1.8 1,-0.2 -2,-0.2 0.875 113.2 52.2 -67.7 -37.6 27.7 51.5 80.5 99 102 A A H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.893 108.7 50.2 -65.4 -42.0 26.3 49.3 77.7 100 103 A K H X S+ 0 0 104 -4,-2.4 4,-0.8 2,-0.2 -2,-0.2 0.881 111.5 47.8 -64.0 -42.0 26.0 46.3 80.1 101 104 A K H < S+ 0 0 154 -4,-1.8 3,-0.3 1,-0.2 4,-0.3 0.847 113.2 47.0 -70.9 -33.4 24.2 48.2 82.8 102 105 A A H >X S+ 0 0 5 -4,-1.8 4,-2.4 1,-0.2 3,-1.5 0.849 103.5 63.4 -75.8 -33.4 21.7 49.8 80.3 103 106 A K H 3< S+ 0 0 74 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.761 96.8 58.4 -62.3 -26.4 21.1 46.3 78.7 104 107 A N T 3< S+ 0 0 141 -4,-0.8 -1,-0.3 -3,-0.3 -2,-0.2 0.631 112.1 40.5 -78.4 -16.3 19.6 45.1 82.0 105 108 A I T <4 S- 0 0 85 -3,-1.5 2,-0.3 1,-0.3 -2,-0.2 0.844 128.8 -26.5 -97.4 -51.5 17.0 47.9 81.9 106 109 A N < - 0 0 21 -4,-2.4 -1,-0.3 -28,-0.0 -26,-0.1 -0.920 48.3-113.6-152.5-177.7 16.0 47.9 78.2 107 110 A N S S+ 0 0 91 -2,-0.3 2,-2.4 -28,-0.2 17,-0.3 0.408 75.8 114.6-103.2 -1.1 17.1 47.1 74.6 108 111 A N + 0 0 34 -27,-0.2 -25,-2.2 -29,-0.2 2,-0.4 -0.373 41.0 134.6 -74.2 65.4 17.0 50.8 73.4 109 112 A I E -c 83 0A 0 -2,-2.4 15,-2.7 -27,-0.2 16,-1.5 -0.974 33.8-168.7-122.1 126.3 20.8 51.1 72.8 110 113 A I E -cd 84 125A 0 -27,-2.8 -25,-3.2 -2,-0.4 2,-0.5 -0.931 5.0-159.5-114.8 136.4 22.3 52.8 69.7 111 114 A A E -cd 85 126A 0 14,-2.3 16,-3.1 -2,-0.4 2,-0.7 -0.977 6.4-165.4-120.8 124.3 26.0 52.5 68.8 112 115 A I E +cd 86 127A 0 -27,-3.1 -25,-2.3 -2,-0.5 2,-0.2 -0.967 33.4 157.3-108.2 108.2 27.8 54.9 66.5 113 116 A V E -cd 87 128A 0 14,-1.3 16,-2.9 -2,-0.7 -25,-0.2 -0.799 48.5-152.3-129.4 169.2 31.1 53.3 65.6 114 117 A X S S+ 0 0 31 -26,-1.9 2,-0.4 -27,-0.6 -25,-0.2 0.732 94.8 32.6-103.5 -54.9 33.9 53.2 63.0 115 118 A E S S- 0 0 88 -27,-2.4 2,-2.2 -28,-0.2 -1,-0.4 -0.840 90.8-116.8-103.0 141.0 34.9 49.5 63.6 116 119 A X + 0 0 180 -2,-0.4 -26,-0.1 -3,-0.1 -27,-0.1 -0.436 56.2 161.0 -79.8 70.3 32.3 46.9 64.6 117 120 A G > - 0 0 14 -2,-2.2 3,-2.1 -28,-0.4 4,-0.3 -0.080 57.0 -64.2 -79.8-174.9 33.8 46.1 68.0 118 121 A N G > S+ 0 0 92 1,-0.3 3,-1.1 2,-0.2 4,-0.3 0.621 120.7 71.2 -44.6 -29.8 32.3 44.5 71.2 119 122 A V G > S+ 0 0 1 -29,-2.2 3,-1.4 1,-0.2 4,-0.5 0.766 83.9 69.6 -64.6 -25.9 29.8 47.2 71.8 120 123 A V G X S+ 0 0 25 -3,-2.1 3,-0.6 1,-0.3 -1,-0.2 0.755 86.9 67.1 -65.4 -23.1 27.6 46.2 68.8 121 124 A E G < S+ 0 0 155 -3,-1.1 -1,-0.3 -4,-0.3 -2,-0.2 0.751 105.9 42.0 -67.7 -26.4 26.7 43.0 70.7 122 125 A F G < S+ 0 0 53 -3,-1.4 2,-0.3 -4,-0.3 -1,-0.2 0.464 98.8 98.6 -99.1 -6.1 24.7 45.2 73.1 123 126 A A < - 0 0 18 -3,-0.6 -13,-0.2 -4,-0.5 3,-0.2 -0.660 53.4-163.1 -92.4 142.1 23.2 47.5 70.5 124 127 A D S S+ 0 0 85 -15,-2.7 2,-0.4 1,-0.3 -14,-0.2 0.763 91.2 25.9 -84.1 -32.0 19.7 47.3 69.0 125 128 A L E S-d 110 0A 15 -16,-1.5 -14,-2.3 2,-0.0 2,-0.5 -0.996 71.3-164.4-137.1 126.1 20.9 49.6 66.2 126 129 A T E -d 111 0A 20 -2,-0.4 -14,-0.2 -16,-0.2 -16,-0.0 -0.955 1.8-168.6-114.8 128.4 24.4 50.0 64.9 127 130 A I E -d 112 0A 0 -16,-3.1 -14,-1.3 -2,-0.5 2,-0.3 -0.877 12.1-161.3-116.7 93.5 25.4 53.0 62.7 128 131 A P E -d 113 0A 7 0, 0.0 2,-0.5 0, 0.0 -14,-0.2 -0.587 10.0-165.9 -78.8 134.2 28.9 52.3 61.3 129 132 A L - 0 0 2 -16,-2.9 2,-1.3 -2,-0.3 18,-0.1 -0.811 11.1-167.3-119.1 81.1 30.8 55.4 59.9 130 133 A E + 0 0 115 -2,-0.5 2,-0.2 -117,-0.1 -16,-0.1 -0.630 18.9 172.6 -77.0 90.8 33.6 53.6 58.0 131 134 A V - 0 0 17 -2,-1.3 2,-0.4 1,-0.0 12,-0.1 -0.608 36.0-100.2-100.6 162.9 36.0 56.5 57.2 132 135 A K - 0 0 149 -126,-0.2 2,-0.2 -2,-0.2 -122,-0.1 -0.667 35.5-156.1 -86.7 128.4 39.5 56.6 55.7 133 136 A K - 0 0 100 -2,-0.4 2,-0.3 9,-0.1 7,-0.1 -0.613 9.6-167.6 -97.9 164.9 42.4 56.9 58.2 134 137 A S B > -E 137 0B 24 3,-1.6 3,-0.5 -2,-0.2 8,-0.1 -0.932 36.9-105.5-148.0 168.8 45.8 58.4 57.5 135 138 A K T 3 S+ 0 0 164 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.875 124.1 36.5 -64.6 -38.6 49.4 58.6 58.9 136 139 A Y T 3 S+ 0 0 160 1,-0.2 -1,-0.2 2,-0.0 -133,-0.0 0.343 116.1 54.5 -99.6 6.6 48.8 62.3 59.9 137 140 A L B < S+E 134 0B 19 -3,-0.5 -3,-1.6 2,-0.1 5,-0.4 -0.677 88.7 175.9-135.0 71.6 45.1 61.8 60.9 138 141 A P > + 0 0 63 0, 0.0 3,-2.0 0, 0.0 4,-0.1 -0.179 36.5 1.6 -80.0 174.3 45.7 58.9 63.4 139 142 A M T 3 S- 0 0 149 1,-0.3 3,-0.3 2,-0.1 4,-0.1 -0.281 128.4 -25.3 51.6-127.4 43.5 56.9 65.8 140 143 A G T 3> S+ 0 0 7 1,-0.2 4,-2.7 2,-0.1 3,-0.4 0.211 99.1 121.6-100.1 15.6 39.8 58.0 65.6 141 144 A T H <> S+ 0 0 27 -3,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.863 78.9 40.3 -43.1 -54.9 40.5 61.5 64.3 142 145 A T H > S+ 0 0 0 -5,-0.4 4,-2.2 -3,-0.3 -1,-0.2 0.814 114.3 53.5 -69.7 -31.1 38.5 61.1 61.1 143 146 A F H > S+ 0 0 0 -3,-0.4 4,-2.9 2,-0.2 -2,-0.2 0.917 108.4 49.6 -67.8 -46.5 35.7 59.2 62.8 144 147 A E H X S+ 0 0 20 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.885 113.0 47.6 -60.5 -38.0 35.3 62.0 65.5 145 148 A E H X S+ 0 0 57 -4,-1.7 4,-1.8 -5,-0.2 -2,-0.2 0.931 116.4 42.3 -67.7 -47.5 35.2 64.7 62.7 146 149 A T H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.848 112.4 54.5 -69.1 -36.5 32.6 62.7 60.6 147 150 A A H X S+ 0 0 0 -4,-2.9 4,-2.7 2,-0.2 -1,-0.2 0.883 107.0 50.6 -66.4 -39.0 30.6 61.8 63.7 148 151 A L H X S+ 0 0 56 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.940 113.3 45.5 -63.7 -45.9 30.2 65.4 64.7 149 152 A I H X S+ 0 0 62 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.924 113.5 49.9 -64.1 -42.0 29.1 66.3 61.2 150 153 A F H X S+ 0 0 4 -4,-2.8 4,-1.5 1,-0.2 -2,-0.2 0.914 110.8 49.5 -61.3 -47.7 26.7 63.3 61.1 151 154 A L H X S+ 0 0 1 -4,-2.7 4,-1.6 1,-0.2 -1,-0.2 0.802 109.7 50.6 -64.6 -29.4 25.2 64.3 64.5 152 155 A D H X S+ 0 0 69 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.805 108.5 53.1 -77.4 -28.2 24.7 67.9 63.4 153 156 A L H X S+ 0 0 53 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.799 106.0 53.5 -74.7 -28.0 22.9 66.5 60.3 154 157 A V H X S+ 0 0 0 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.919 109.2 48.4 -70.4 -42.1 20.6 64.5 62.6 155 158 A I H X S+ 0 0 4 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.916 109.6 53.3 -62.7 -41.7 19.8 67.7 64.4 156 159 A A H X S+ 0 0 33 -4,-2.0 4,-1.4 1,-0.2 -2,-0.2 0.904 111.0 46.1 -59.9 -42.7 19.1 69.4 61.0 157 160 A E H X S+ 0 0 23 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.799 109.3 54.0 -72.0 -30.6 16.7 66.6 60.1 158 161 A I H X S+ 0 0 0 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.899 108.7 49.9 -70.4 -38.2 14.9 66.7 63.5 159 162 A M H <>S+ 0 0 48 -4,-2.2 5,-2.3 1,-0.2 4,-0.4 0.847 110.8 50.1 -67.1 -35.6 14.3 70.5 63.1 160 163 A K H <5S+ 0 0 136 -4,-1.4 3,-0.4 3,-0.2 -1,-0.2 0.885 112.9 45.1 -68.9 -44.0 12.9 69.9 59.6 161 164 A R H <5S+ 0 0 106 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.769 120.6 38.3 -73.3 -29.8 10.4 67.1 60.7 162 165 A L T <5S- 0 0 74 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.334 107.9-120.7-104.0 5.9 9.2 69.0 63.8 163 166 A N T 5 + 0 0 142 -4,-0.4 2,-0.3 -3,-0.4 -3,-0.2 0.864 52.8 164.8 55.2 45.0 9.1 72.5 62.1 164 167 A L < - 0 0 39 -5,-2.3 -1,-0.2 -6,-0.2 2,-0.2 -0.675 19.9-157.7 -93.5 145.1 11.6 74.0 64.6 165 168 A D >> - 0 0 111 -2,-0.3 3,-1.0 1,-0.0 4,-0.6 -0.514 38.0 -94.7-109.8-178.7 13.4 77.3 64.1 166 169 A E H 3> S+ 0 0 151 1,-0.2 4,-1.8 -2,-0.2 3,-0.5 0.740 117.4 72.5 -68.9 -22.8 16.6 78.9 65.5 167 170 A S H 3> S+ 0 0 72 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.747 88.7 59.3 -64.9 -27.5 14.3 80.7 68.1 168 171 A E H <> S+ 0 0 64 -3,-1.0 4,-1.0 2,-0.2 -1,-0.2 0.866 106.7 48.0 -69.2 -36.1 13.8 77.3 69.9 169 172 A I H X S+ 0 0 25 -4,-0.6 4,-1.4 -3,-0.5 3,-0.5 0.925 109.5 50.3 -70.9 -46.1 17.6 77.1 70.5 170 173 A I H < S+ 0 0 118 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.850 106.7 57.6 -61.6 -36.7 18.0 80.7 71.8 171 174 A K H < S+ 0 0 178 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.844 118.6 29.4 -62.8 -36.5 15.2 80.2 74.2 172 175 A R H < S+ 0 0 92 -4,-1.0 -1,-0.2 -3,-0.5 -2,-0.2 0.462 93.7 115.3-105.9 -4.2 16.9 77.2 75.9 173 176 A H S < S- 0 0 87 -4,-1.4 -3,-0.0 1,-0.1 -116,-0.0 -0.388 79.1 -93.9 -69.5 142.6 20.6 78.1 75.3 174 177 A X + 0 0 136 1,-0.1 -1,-0.1 -2,-0.1 -2,-0.1 -0.312 41.5 178.8 -58.6 131.8 22.8 78.9 78.3 175 178 A N + 0 0 142 2,-0.1 -1,-0.1 -3,-0.1 -2,-0.0 0.107 61.1 78.6-123.9 17.2 22.8 82.6 79.1 176 179 A L 0 0 153 1,-0.1 -1,-0.1 0, 0.0 -2,-0.0 0.639 360.0 360.0-102.0 -16.1 25.0 82.8 82.1 177 180 A L 0 0 200 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 0.738 360.0 360.0-102.7 360.0 28.5 82.5 80.6