==== 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 05-MAY-06 2DP3 . COMPND 2 MOLECULE: TRIOSEPHOSPHATE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GIARDIA INTESTINALIS; . AUTHOR A.DIAZ,H.REYES-VIVAS,G.LOPEZ-VELAZQUEZ . 255 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11354.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 180 70.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 14.1 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 . 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 . 17 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 34.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.4 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 0 3 2 1 0 0 0 0 2 1 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 3 0 3 2 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 0 1 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 2 A P 0 0 121 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 92.8 3.0 -27.7 21.6 2 3 A A - 0 0 77 205,-0.0 2,-0.3 1,-0.0 0, 0.0 0.001 360.0-104.9-111.6-144.6 -0.5 -27.7 20.1 3 4 A R - 0 0 49 -2,-0.0 205,-0.1 206,-0.0 204,-0.1 -0.989 20.1-107.0-156.8 157.3 -3.2 -29.7 18.4 4 5 A R - 0 0 107 -2,-0.3 32,-0.1 203,-0.3 227,-0.0 -0.703 53.9-117.7 -81.6 116.4 -5.3 -30.9 15.5 5 6 A P - 0 0 11 0, 0.0 32,-2.4 0, 0.0 2,-0.4 -0.117 31.3-158.4 -53.1 154.0 -8.8 -29.3 16.1 6 7 A F E +ab 37 232A 0 225,-2.2 227,-1.1 30,-0.2 2,-0.4 -0.991 16.7 177.6-143.6 131.2 -11.7 -31.6 16.6 7 8 A I E -ab 38 233A 0 30,-2.5 32,-2.3 -2,-0.4 2,-0.4 -0.984 8.1-175.2-135.3 123.2 -15.5 -31.3 16.2 8 9 A G E -ab 39 234A 1 225,-2.8 227,-3.6 -2,-0.4 2,-0.6 -0.926 14.4-149.8-118.8 144.5 -17.9 -34.1 16.7 9 10 A G E -ab 40 235A 1 30,-2.7 32,-3.6 -2,-0.4 2,-0.8 -0.923 7.7-162.8-117.1 108.3 -21.7 -34.1 16.1 10 11 A N E -a 41 0A 5 225,-2.8 229,-0.2 -2,-0.6 230,-0.1 -0.802 6.5-173.6 -91.7 108.4 -23.7 -36.4 18.4 11 12 A F - 0 0 1 30,-1.5 -1,-0.2 -2,-0.8 32,-0.1 0.716 22.6-168.5 -71.6 -21.5 -27.1 -37.0 16.9 12 13 A K - 0 0 37 29,-0.6 2,-1.7 1,-0.2 -1,-0.2 -0.278 60.4 -21.0 61.1-151.4 -28.2 -38.9 20.0 13 14 A C S S+ 0 0 113 29,-0.1 2,-0.3 30,-0.1 -1,-0.2 -0.510 110.4 110.4 -88.6 71.4 -31.5 -40.8 19.6 14 15 A N + 0 0 81 -2,-1.7 29,-0.4 2,-0.0 -3,-0.1 -0.965 39.0 54.2-141.0 156.7 -32.8 -38.7 16.7 15 16 A G - 0 0 42 -2,-0.3 2,-0.3 27,-0.1 3,-0.0 -0.050 48.9-125.5 105.6 154.7 -33.5 -39.1 13.0 16 17 A S > - 0 0 64 1,-0.0 4,-2.5 -2,-0.0 5,-0.2 -0.741 44.3 -94.9-124.7 172.6 -35.3 -41.1 10.4 17 18 A L H > S+ 0 0 91 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.922 127.1 47.8 -59.6 -43.0 -33.8 -42.8 7.4 18 19 A D H > S+ 0 0 121 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.869 111.0 50.8 -65.8 -37.7 -34.7 -39.8 5.2 19 20 A F H > S+ 0 0 61 2,-0.2 4,-3.3 1,-0.2 5,-0.4 0.937 111.1 48.5 -64.9 -45.7 -33.3 -37.3 7.7 20 21 A I H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 5,-0.4 0.939 112.7 47.8 -59.3 -48.6 -30.0 -39.2 8.0 21 22 A K H X S+ 0 0 110 -4,-2.4 4,-1.8 -5,-0.2 -2,-0.2 0.948 119.4 38.6 -58.1 -50.5 -29.6 -39.4 4.2 22 23 A S H X S+ 0 0 68 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.928 119.0 45.5 -67.7 -47.7 -30.4 -35.7 3.7 23 24 A H H X S+ 0 0 15 -4,-3.3 4,-2.2 -5,-0.2 5,-0.2 0.911 114.7 46.7 -65.7 -44.3 -28.5 -34.4 6.7 24 25 A V H X S+ 0 0 0 -4,-2.5 4,-3.0 -5,-0.4 -1,-0.2 0.919 112.7 52.2 -63.8 -39.8 -25.4 -36.4 6.1 25 26 A A H X S+ 0 0 45 -4,-1.8 4,-1.7 -5,-0.4 -2,-0.2 0.923 109.5 48.8 -60.9 -44.0 -25.6 -35.4 2.4 26 27 A A H < S+ 0 0 48 -4,-2.5 4,-0.4 2,-0.2 -1,-0.2 0.877 114.0 45.7 -64.5 -38.2 -25.8 -31.7 3.4 27 28 A I H >< S+ 0 0 0 -4,-2.2 3,-1.6 1,-0.2 -2,-0.2 0.944 112.5 50.5 -69.0 -47.0 -22.8 -32.1 5.8 28 29 A A H 3< S+ 0 0 11 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.771 104.3 59.3 -61.3 -27.9 -20.8 -34.0 3.2 29 30 A A T 3< S+ 0 0 86 -4,-1.7 -1,-0.3 -5,-0.2 2,-0.2 0.608 88.7 95.1 -77.3 -12.3 -21.5 -31.4 0.6 30 31 A H S < S- 0 0 51 -3,-1.6 2,-0.5 -4,-0.4 -3,-0.0 -0.550 90.6-104.5 -81.1 145.6 -19.8 -28.8 2.9 31 32 A K - 0 0 174 -2,-0.2 -1,-0.1 25,-0.0 -2,-0.1 -0.579 40.4-170.1 -70.3 117.7 -16.1 -28.0 2.3 32 33 A I - 0 0 4 -2,-0.5 25,-0.1 -4,-0.2 6,-0.1 -0.946 15.8-133.7-115.9 115.4 -14.2 -29.7 5.1 33 34 A P > - 0 0 28 0, 0.0 3,-0.9 0, 0.0 219,-0.0 -0.217 12.8-128.7 -63.8 154.7 -10.5 -28.8 5.5 34 35 A D T 3 S+ 0 0 119 1,-0.2 3,-0.0 3,-0.1 -2,-0.0 0.515 103.2 72.4 -79.8 -4.7 -7.9 -31.5 6.0 35 36 A S T 3 S+ 0 0 63 1,-0.1 2,-0.4 2,-0.0 -1,-0.2 0.549 93.5 55.4 -87.8 -8.9 -6.7 -29.6 9.0 36 37 A V S < S- 0 0 4 -3,-0.9 2,-0.5 -32,-0.1 -30,-0.2 -0.983 77.0-128.7-130.5 137.3 -9.7 -30.4 11.2 37 38 A D E -a 6 0A 39 -32,-2.4 -30,-2.5 -2,-0.4 2,-0.5 -0.693 27.3-173.8 -82.0 127.4 -11.2 -33.7 12.4 38 39 A V E +a 7 0A 2 -2,-0.5 22,-2.0 20,-0.4 2,-0.4 -0.989 8.4 169.0-126.0 122.0 -15.0 -33.7 11.7 39 40 A V E -ac 8 60A 2 -32,-2.3 -30,-2.7 -2,-0.5 2,-0.4 -0.986 15.8-164.2-134.5 143.1 -17.0 -36.7 13.0 40 41 A I E -ac 9 61A 1 20,-1.9 22,-2.6 -2,-0.4 -30,-0.2 -0.966 9.0-152.0-125.2 143.4 -20.8 -37.2 13.3 41 42 A A E -a 10 0A 2 -32,-3.6 -30,-1.5 -2,-0.4 -29,-0.6 -0.800 14.9-175.2-121.3 91.1 -22.3 -40.0 15.4 42 43 A P - 0 0 0 0, 0.0 22,-0.4 0, 0.0 5,-0.1 -0.279 42.3 -79.1 -75.9 168.9 -25.7 -41.2 14.2 43 44 A S >> - 0 0 29 -29,-0.4 3,-1.9 -31,-0.2 4,-0.6 -0.305 49.4-103.3 -65.1 153.9 -27.8 -43.8 16.1 44 45 A A G >4 S+ 0 0 57 1,-0.3 3,-1.5 2,-0.2 4,-0.4 0.874 119.4 52.3 -46.2 -52.4 -26.6 -47.4 15.8 45 46 A V G 34 S+ 0 0 120 1,-0.3 -1,-0.3 2,-0.1 4,-0.3 0.643 109.8 52.7 -64.6 -11.1 -29.4 -48.5 13.4 46 47 A H G <> S+ 0 0 19 -3,-1.9 4,-2.6 1,-0.1 -1,-0.3 0.499 79.3 96.9-101.0 -6.5 -28.5 -45.6 11.1 47 48 A L H S+ 0 0 77 -4,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.897 113.9 50.1 -60.6 -43.0 -25.0 -48.1 7.5 49 50 A T H > S+ 0 0 32 -4,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.889 111.7 48.6 -63.2 -40.1 -27.3 -45.5 6.0 50 51 A A H X S+ 0 0 0 -4,-2.6 4,-1.5 2,-0.2 -2,-0.2 0.905 110.2 50.9 -66.7 -43.4 -25.0 -42.7 7.1 51 52 A I H < S+ 0 0 61 -4,-2.5 3,-0.4 -5,-0.2 -2,-0.2 0.926 109.9 50.1 -60.4 -45.0 -21.9 -44.5 5.7 52 53 A A H < S+ 0 0 83 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.885 114.1 45.1 -61.4 -39.5 -23.7 -44.9 2.3 53 54 A A H < S+ 0 0 20 -4,-1.8 2,-1.2 -5,-0.2 -1,-0.2 0.653 88.0 99.0 -80.3 -16.9 -24.7 -41.2 2.2 54 55 A N < + 0 0 35 -4,-1.5 -29,-0.1 -3,-0.4 -1,-0.1 -0.602 36.5 161.7 -78.2 97.7 -21.2 -39.9 3.3 55 56 A T + 0 0 117 -2,-1.2 2,-0.2 -31,-0.2 -1,-0.2 0.352 40.5 110.9 -95.0 3.0 -19.6 -38.9 0.1 56 57 A S - 0 0 18 1,-0.1 -27,-0.1 -3,-0.0 -28,-0.1 -0.541 59.8-151.5 -82.3 145.9 -17.0 -36.7 1.9 57 58 A K S S+ 0 0 196 -2,-0.2 -1,-0.1 -29,-0.2 -29,-0.0 0.681 98.4 37.7 -85.5 -19.9 -13.3 -37.6 2.0 58 59 A Q S S+ 0 0 56 -30,-0.1 -20,-0.4 -26,-0.0 -1,-0.1 0.832 92.0 92.2 -98.7 -41.1 -12.9 -35.8 5.3 59 60 A L - 0 0 2 -31,-0.1 2,-0.3 -22,-0.1 -20,-0.2 -0.321 58.5-162.6 -59.7 133.3 -16.1 -36.5 7.2 60 61 A R E -c 39 0A 70 -22,-2.0 -20,-1.9 -2,-0.0 2,-0.4 -0.917 10.8-133.2-120.4 147.7 -15.9 -39.6 9.5 61 62 A I E -c 40 0A 6 -2,-0.3 29,-0.7 -22,-0.2 28,-0.6 -0.804 24.3-174.8-102.4 140.3 -18.7 -41.6 11.0 62 63 A A E -d 90 0A 0 -22,-2.6 2,-0.3 -2,-0.4 29,-0.2 -0.860 22.3-119.7-130.1 164.5 -18.8 -42.7 14.7 63 64 A A E -d 91 0A 3 27,-1.5 29,-2.9 -2,-0.3 -20,-0.1 -0.730 14.9-137.7-101.5 153.9 -20.9 -44.8 17.0 64 65 A Q S S- 0 0 41 -22,-0.4 2,-0.3 -2,-0.3 31,-0.3 0.544 81.4 -1.9 -87.4 -8.3 -22.6 -43.3 20.1 65 66 A N - 0 0 30 28,-0.1 2,-0.3 29,-0.1 -1,-0.2 -0.973 56.5-167.3-171.7 163.0 -21.7 -46.3 22.3 66 67 A V - 0 0 0 -2,-0.3 13,-0.2 26,-0.1 2,-0.1 -0.967 26.6-110.9-158.6 152.8 -20.1 -49.7 22.4 67 68 A Y - 0 0 63 11,-3.2 13,-0.2 -2,-0.3 7,-0.0 -0.319 21.1-122.9 -84.8 170.4 -20.0 -52.6 24.9 68 69 A L S S+ 0 0 29 11,-0.1 2,-0.3 -2,-0.1 11,-0.1 0.148 88.5 68.6-101.0 20.2 -17.0 -53.8 26.9 69 70 A E S S- 0 0 79 9,-0.2 11,-0.4 1,-0.1 -2,-0.2 -0.895 79.5-119.5-130.4 160.3 -17.1 -57.4 25.6 70 71 A G - 0 0 12 -2,-0.3 -1,-0.1 1,-0.2 2,-0.1 0.020 65.8 -40.1 -82.7-161.9 -16.3 -58.8 22.2 71 72 A N S S+ 0 0 105 2,-0.1 2,-0.3 8,-0.0 -1,-0.2 -0.383 95.7 90.9 -62.8 138.8 -18.8 -60.7 20.0 72 73 A G S S- 0 0 58 -3,-0.1 2,-2.1 2,-0.1 7,-0.0 -0.983 84.2 -21.9 168.8-158.9 -20.9 -63.1 22.2 73 74 A A S S+ 0 0 95 -2,-0.3 2,-0.3 1,-0.1 -2,-0.1 -0.449 80.1 125.0 -81.0 68.0 -24.1 -63.5 24.2 74 75 A W > - 0 0 96 -2,-2.1 3,-2.5 3,-0.1 -1,-0.1 -0.624 50.2-153.5-126.7 70.8 -24.7 -59.8 24.9 75 76 A T T 3 S+ 0 0 148 -2,-0.3 3,-0.1 1,-0.3 -2,-0.1 -0.156 77.8 10.9 -50.2 129.1 -28.2 -59.2 23.6 76 77 A G T 3 S+ 0 0 74 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 0.325 105.4 113.3 84.7 -7.2 -28.8 -55.6 22.5 77 78 A E < - 0 0 70 -3,-2.5 2,-0.4 -11,-0.0 -1,-0.3 -0.638 56.7-139.5-100.8 158.6 -25.1 -54.7 22.7 78 79 A T - 0 0 42 -2,-0.2 -11,-3.2 -3,-0.1 2,-0.2 -0.933 15.5-143.8-115.6 136.2 -22.6 -53.7 20.0 79 80 A S > - 0 0 5 -2,-0.4 4,-1.6 -13,-0.2 3,-0.2 -0.596 22.7-120.7 -97.8 159.7 -19.0 -54.9 19.9 80 81 A V H > S+ 0 0 0 -11,-0.4 4,-2.8 1,-0.2 5,-0.3 0.911 115.1 60.4 -60.1 -41.9 -15.9 -53.0 18.8 81 82 A E H > S+ 0 0 58 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.882 102.4 50.8 -53.8 -43.0 -15.4 -55.8 16.2 82 83 A M H > S+ 0 0 89 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.914 110.9 48.4 -62.5 -43.8 -18.8 -54.9 14.6 83 84 A L H <>S+ 0 0 3 -4,-1.6 5,-2.4 1,-0.2 3,-0.3 0.924 114.4 44.7 -63.8 -45.2 -17.9 -51.3 14.4 84 85 A Q H ><5S+ 0 0 71 -4,-2.8 3,-1.9 1,-0.2 -1,-0.2 0.878 107.4 58.4 -67.8 -36.2 -14.5 -51.9 12.8 85 86 A D H 3<5S+ 0 0 142 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.811 105.1 52.9 -61.4 -28.4 -16.0 -54.5 10.5 86 87 A M T 3<5S- 0 0 67 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.441 124.9-106.1 -85.9 -1.1 -18.2 -51.7 9.2 87 88 A G T < 5S+ 0 0 46 -3,-1.9 2,-0.3 1,-0.3 -3,-0.2 0.584 72.0 144.2 87.9 11.2 -15.1 -49.5 8.7 88 89 A L < + 0 0 5 -5,-2.4 -1,-0.3 -6,-0.2 -26,-0.1 -0.633 24.6 173.6 -87.9 141.7 -15.7 -47.2 11.7 89 90 A K + 0 0 110 -28,-0.6 33,-3.5 -2,-0.3 2,-0.3 0.441 58.6 68.1-123.9 -5.4 -12.8 -45.9 13.7 90 91 A H E +de 62 122A 18 -29,-0.7 -27,-1.5 31,-0.2 2,-0.3 -0.899 50.9 170.8-119.9 149.1 -14.5 -43.5 16.1 91 92 A V E -de 63 123A 0 31,-1.7 33,-2.2 -2,-0.3 2,-0.4 -0.968 28.0-129.6-156.6 137.6 -16.8 -44.1 19.1 92 93 A I E - e 0 124A 2 -29,-2.9 2,-0.4 -2,-0.3 33,-0.2 -0.733 29.7-174.4 -88.6 135.8 -18.3 -42.0 21.9 93 94 A V E + e 0 125A 1 31,-2.7 33,-2.5 -2,-0.4 -28,-0.1 -0.995 56.6 10.9-135.2 138.4 -17.9 -43.5 25.4 94 95 A G - 0 0 1 -2,-0.4 5,-0.1 1,-0.2 -1,-0.1 0.700 68.4-179.7 75.0 21.6 -19.2 -42.4 28.8 95 96 A H >> - 0 0 7 -31,-0.3 4,-2.1 1,-0.2 3,-1.5 -0.299 37.6-120.0 -54.1 136.4 -21.6 -39.7 27.6 96 97 A S H 3>>S+ 0 0 1 1,-0.3 4,-3.4 2,-0.2 5,-0.6 0.747 111.4 64.9 -53.6 -26.9 -23.2 -38.3 30.7 97 98 A E H 3>>S+ 0 0 55 1,-0.2 4,-1.4 2,-0.2 5,-1.0 0.899 109.2 39.6 -64.8 -36.5 -26.7 -39.3 29.5 98 99 A R H <45S+ 0 0 66 -3,-1.5 6,-2.5 3,-0.2 4,-0.4 0.889 120.2 45.7 -77.1 -39.7 -25.5 -42.9 29.9 99 100 A R H <5S+ 0 0 16 -4,-2.1 4,-0.5 4,-0.2 -2,-0.2 0.969 125.5 28.5 -64.9 -55.2 -23.6 -42.3 33.1 100 101 A R H <5S+ 0 0 92 -4,-3.4 -3,-0.2 2,-0.1 -2,-0.2 0.809 133.4 28.2 -79.3 -36.0 -26.3 -40.2 34.8 101 102 A I T < - 0 0 67 -2,-0.6 4,-2.3 1,-0.1 5,-0.2 -0.232 19.9-107.1 -74.6 164.8 -20.4 -46.6 36.1 106 107 A D H > S+ 0 0 60 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.886 121.2 48.2 -57.6 -41.0 -17.0 -44.9 35.9 107 108 A E H > S+ 0 0 90 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.864 108.5 52.2 -70.4 -38.3 -15.4 -48.3 35.6 108 109 A Q H > S+ 0 0 82 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.935 111.0 47.4 -64.4 -45.1 -17.7 -49.6 32.8 109 110 A S H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.949 113.4 49.9 -59.4 -46.0 -17.1 -46.4 30.8 110 111 A A H X S+ 0 0 0 -4,-2.0 4,-2.6 -5,-0.2 -2,-0.2 0.895 111.1 47.7 -59.7 -42.5 -13.3 -46.9 31.4 111 112 A K H X S+ 0 0 86 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.861 110.5 51.9 -69.1 -34.4 -13.4 -50.6 30.4 112 113 A K H X S+ 0 0 10 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.939 112.3 46.3 -65.3 -47.0 -15.4 -49.8 27.2 113 114 A A H X S+ 0 0 0 -4,-2.5 4,-3.3 -5,-0.2 5,-0.2 0.939 110.9 52.0 -61.1 -48.6 -12.8 -47.1 26.2 114 115 A K H X S+ 0 0 58 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.917 110.5 47.5 -55.9 -46.7 -9.9 -49.4 27.0 115 116 A R H X S+ 0 0 44 -4,-2.1 4,-1.3 2,-0.2 -1,-0.2 0.926 114.3 47.1 -62.2 -43.4 -11.2 -52.2 24.8 116 117 A A H <>S+ 0 0 0 -4,-2.2 5,-2.3 1,-0.2 3,-0.3 0.942 114.2 47.4 -62.3 -47.2 -11.9 -49.8 22.0 117 118 A L H ><5S+ 0 0 6 -4,-3.3 3,-1.8 1,-0.2 -2,-0.2 0.900 107.2 55.4 -61.6 -44.7 -8.5 -48.2 22.2 118 119 A E H 3<5S+ 0 0 119 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.811 106.8 52.5 -59.9 -30.9 -6.6 -51.5 22.4 119 120 A K T 3<5S- 0 0 69 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.448 127.3 -97.1 -86.1 0.1 -8.2 -52.5 19.1 120 121 A G T < 5S+ 0 0 52 -3,-1.8 -3,-0.2 1,-0.3 -2,-0.1 0.496 76.4 136.0 102.2 3.4 -7.2 -49.3 17.4 121 122 A M < - 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0 0 6 -42,-2.7 45,-0.2 -2,-0.7 5,-0.1 -0.870 30.6-140.8-131.3 97.6 -19.6 -31.5 29.0 170 171 A P >> - 0 0 0 0, 0.0 3,-2.4 0, 0.0 4,-0.6 -0.402 18.5-133.2 -58.3 129.8 -20.9 -30.1 32.3 171 172 A V G >4 S+ 0 0 35 -42,-1.8 3,-1.0 1,-0.3 -41,-0.2 0.810 104.8 60.6 -55.8 -32.6 -24.1 -31.9 32.9 172 173 A W G 34 S+ 0 0 35 -43,-0.7 6,-0.3 1,-0.2 -1,-0.3 0.576 104.9 51.3 -72.2 -7.7 -26.0 -28.7 33.6 173 174 A S G <> S+ 0 0 0 -3,-2.4 2,-0.7 40,-0.1 4,-0.6 0.506 82.6 108.9-103.2 -9.8 -25.1 -27.6 30.1 174 175 A I T << S- 0 0 25 -3,-1.0 -5,-0.0 -4,-0.6 -3,-0.0 -0.602 104.2 -25.7 -76.9 112.0 -26.4 -30.7 28.3 175 176 A G T 4 S+ 0 0 74 -2,-0.7 -1,-0.2 1,-0.1 -2,-0.1 0.528 116.5 99.2 66.0 8.6 -29.6 -29.9 26.4 176 177 A T T 4 S- 0 0 76 -3,-0.4 -2,-0.1 2,-0.1 -1,-0.1 0.597 87.3-125.8-100.0 -14.7 -30.4 -27.0 28.7 177 178 A G S < S+ 0 0 61 -4,-0.6 2,-1.5 1,-0.2 -4,-0.1 0.345 75.8 122.8 84.2 -8.6 -29.2 -24.1 26.6 178 179 A V - 0 0 82 -6,-0.3 -1,-0.2 -4,-0.0 -2,-0.1 -0.612 45.6-173.3 -88.8 78.1 -27.1 -23.1 29.6 179 180 A V - 0 0 39 -2,-1.5 2,-0.2 36,-0.2 36,-0.1 -0.324 27.5-106.4 -70.3 153.3 -23.7 -23.1 28.0 180 181 A A - 0 0 2 34,-0.5 -1,-0.1 33,-0.1 44,-0.0 -0.510 35.5-112.2 -77.7 151.1 -20.5 -22.6 30.1 181 182 A T > - 0 0 55 -2,-0.2 4,-2.7 1,-0.1 5,-0.3 -0.391 31.0-106.2 -76.6 161.8 -18.8 -19.3 29.8 182 183 A P H > S+ 0 0 37 0, 0.0 4,-3.0 0, 0.0 5,-0.3 0.918 123.0 51.1 -56.3 -39.7 -15.3 -19.3 28.1 183 184 A E H > S+ 0 0 123 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.922 110.1 47.1 -63.6 -45.8 -13.9 -18.8 31.6 184 185 A Q H > S+ 0 0 60 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.943 117.5 43.1 -61.2 -47.1 -15.8 -21.6 33.2 185 186 A A H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 3,-0.4 0.965 115.0 47.3 -63.1 -54.8 -14.9 -24.0 30.4 186 187 A E H X S+ 0 0 32 -4,-3.0 4,-2.7 -5,-0.3 5,-0.2 0.890 107.9 58.1 -55.3 -41.7 -11.2 -23.0 30.1 187 188 A E H X S+ 0 0 132 -4,-2.4 4,-1.7 -5,-0.3 -1,-0.2 0.911 110.2 42.6 -56.5 -43.4 -10.8 -23.2 33.9 188 189 A V H X S+ 0 0 6 -4,-1.6 4,-2.0 -3,-0.4 -2,-0.2 0.918 112.5 51.7 -71.1 -42.3 -11.9 -26.9 33.8 189 190 A H H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.873 108.0 54.4 -61.7 -34.2 -9.8 -27.7 30.8 190 191 A V H X S+ 0 0 45 -4,-2.7 4,-2.4 -5,-0.2 -1,-0.2 0.936 108.1 48.5 -62.6 -45.6 -6.9 -26.2 32.6 191 192 A G H X S+ 0 0 16 -4,-1.7 4,-1.7 1,-0.2 -1,-0.2 0.834 111.1 50.8 -63.9 -31.4 -7.5 -28.5 35.5 192 193 A L H X S+ 0 0 2 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.866 107.5 52.6 -74.2 -35.8 -7.7 -31.4 33.2 193 194 A R H X S+ 0 0 20 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.954 109.5 50.1 -61.4 -49.3 -4.4 -30.5 31.5 194 195 A K H X S+ 0 0 143 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.887 109.9 49.8 -57.1 -42.5 -2.8 -30.4 34.9 195 196 A W H X S+ 0 0 12 -4,-1.7 4,-3.4 1,-0.2 5,-0.4 0.937 111.5 49.0 -62.6 -45.7 -4.2 -33.8 35.9 196 197 A F H X>S+ 0 0 5 -4,-2.4 4,-2.4 1,-0.2 5,-1.6 0.915 109.3 52.5 -59.4 -45.4 -2.9 -35.3 32.6 197 198 A V H <5S+ 0 0 71 -4,-2.8 5,-0.3 3,-0.2 -1,-0.2 0.898 118.3 37.3 -56.9 -43.0 0.5 -33.8 33.1 198 199 A E H <5S+ 0 0 151 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.918 127.4 30.9 -78.6 -46.4 0.7 -35.3 36.6 199 200 A K H <5S+ 0 0 87 -4,-3.4 -3,-0.2 -5,-0.2 -2,-0.2 0.625 135.7 16.6 -91.5 -14.0 -1.0 -38.7 36.1 200 201 A V T <5S- 0 0 20 -4,-2.4 2,-0.3 -5,-0.4 -3,-0.2 0.642 114.4 -56.3-118.7 -77.9 -0.0 -39.3 32.4 201 202 A A >< - 0 0 38 -5,-1.6 4,-2.1 1,-0.1 5,-0.2 -0.878 24.0-128.5-174.2 140.0 2.8 -37.3 30.9 202 203 A A H > S+ 0 0 54 -5,-0.3 4,-1.0 -2,-0.3 -1,-0.1 0.929 115.0 51.0 -58.2 -43.8 3.7 -33.6 30.4 203 204 A E H >> S+ 0 0 114 1,-0.2 4,-0.6 2,-0.2 3,-0.6 0.915 109.4 49.6 -59.5 -46.0 4.3 -34.5 26.7 204 205 A G H >> S+ 0 0 20 1,-0.2 4,-2.7 2,-0.2 3,-0.9 0.848 102.9 59.1 -64.1 -36.0 0.9 -36.2 26.4 205 206 A A H 3< S+ 0 0 5 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.795 102.1 57.0 -63.6 -27.4 -1.0 -33.3 27.9 206 207 A Q H << S+ 0 0 67 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.739 116.7 33.0 -75.1 -22.8 0.4 -31.1 25.1 207 208 A H H << S+ 0 0 95 -3,-0.9 -203,-0.3 -4,-0.6 -2,-0.2 0.799 89.2 98.6-105.2 -34.9 -1.0 -33.4 22.4 208 209 A I S < S- 0 0 10 -4,-2.7 2,-0.3 1,-0.1 -43,-0.1 -0.308 70.7-126.4 -60.4 133.8 -4.3 -34.8 23.7 209 210 A R E -g 165 0A 33 -45,-0.5 -43,-2.1 21,-0.1 2,-0.5 -0.636 21.9-169.2 -82.7 137.4 -7.4 -33.0 22.4 210 211 A I E -g 166 0A 4 -2,-0.3 21,-2.3 -45,-0.2 22,-0.4 -0.966 11.4-170.2-128.2 110.9 -9.9 -31.8 25.0 211 212 A I E -g 167 0A 0 -45,-3.2 -43,-2.8 -2,-0.5 2,-0.4 -0.715 16.8-127.3-105.3 155.5 -13.2 -30.6 23.5 212 213 A Y E +gh 168 233A 0 20,-2.3 22,-1.9 -2,-0.3 2,-0.3 -0.807 28.3 174.8-101.5 141.7 -16.1 -28.7 25.1 213 214 A G E + h 0 234A 0 -45,-2.6 22,-0.2 -2,-0.4 -40,-0.1 -0.960 30.9 90.4-141.1 158.0 -19.7 -29.9 24.9 214 215 A G S S- 0 0 5 20,-0.7 -34,-0.5 -2,-0.3 -40,-0.2 0.550 104.6 -11.2 116.2 91.4 -23.0 -28.8 26.3 215 216 A S S S+ 0 0 27 1,-0.2 2,-0.4 -36,-0.1 -36,-0.2 0.721 86.0 160.9 65.1 24.1 -25.2 -26.3 24.5 216 217 A A + 0 0 5 18,-0.3 22,-0.4 4,-0.1 20,-0.3 -0.617 12.4 154.0 -77.4 130.8 -22.4 -25.5 22.1 217 218 A N >> - 0 0 45 -2,-0.4 4,-2.0 -3,-0.1 3,-0.9 -0.846 56.6 -77.7-146.3-176.4 -23.7 -23.8 18.9 218 219 A G T 34 S+ 0 0 16 -2,-0.2 4,-0.3 1,-0.2 -2,-0.0 0.798 122.1 47.0 -58.0 -33.5 -23.0 -21.5 16.0 219 220 A S T 34 S+ 0 0 113 1,-0.1 -1,-0.2 2,-0.1 4,-0.1 0.593 122.6 30.4 -89.0 -10.5 -23.4 -18.3 18.0 220 221 A N T <> S+ 0 0 30 -3,-0.9 4,-1.1 2,-0.1 -2,-0.2 0.519 95.6 83.5-122.7 -8.0 -21.2 -19.2 21.0 221 222 A C H X S+ 0 0 0 -4,-2.0 4,-3.1 1,-0.2 5,-0.2 0.779 82.2 63.7 -70.1 -27.4 -18.6 -21.6 19.7 222 223 A E H > S+ 0 0 95 -4,-0.3 4,-1.1 2,-0.2 -1,-0.2 0.947 103.8 45.6 -62.4 -49.0 -16.2 -18.9 18.5 223 224 A K H 4 S+ 0 0 116 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.838 116.8 46.8 -63.7 -32.5 -15.5 -17.5 21.9 224 225 A L H >< S+ 0 0 2 -4,-1.1 3,-1.9 1,-0.2 -2,-0.2 0.917 108.6 54.3 -74.3 -43.5 -15.1 -21.0 23.3 225 226 A G H 3< S+ 0 0 0 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.680 98.2 65.2 -64.3 -17.7 -12.8 -22.1 20.4 226 227 A Q T 3< S+ 0 0 98 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.566 78.4 102.7 -81.1 -9.4 -10.5 -19.1 21.2 227 228 A C S X S- 0 0 14 -3,-1.9 3,-2.0 -4,-0.2 -3,-0.0 -0.625 77.7-130.8 -77.7 128.5 -9.6 -20.6 24.5 228 229 A P T 3 S+ 0 0 88 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.803 103.5 43.0 -46.3 -41.8 -6.2 -22.2 24.4 229 230 A N T 3 S+ 0 0 30 1,-0.1 2,-0.8 -20,-0.1 -19,-0.2 0.367 92.3 90.1 -92.6 6.7 -7.2 -25.5 26.0 230 231 A I < + 0 0 0 -3,-2.0 -19,-0.2 -6,-0.2 -3,-0.1 -0.859 49.3 177.6-105.7 101.3 -10.5 -26.0 24.1 231 232 A D - 0 0 0 -21,-2.3 -225,-2.2 -2,-0.8 2,-0.3 0.439 59.7 -52.7 -83.0 -0.8 -9.6 -27.9 20.9 232 233 A G E -b 6 0A 0 -22,-0.4 -20,-2.3 -227,-0.2 2,-0.3 -0.991 64.4 -75.3 160.8-157.1 -13.1 -28.1 19.6 233 234 A F E -bh 7 212A 0 -227,-1.1 -225,-2.8 -2,-0.3 2,-0.7 -0.967 8.6-142.9-142.7 154.4 -16.6 -29.2 20.4 234 235 A L E -bh 8 213A 1 -22,-1.9 -20,-0.7 -2,-0.3 2,-0.4 -0.972 37.7-156.3-112.6 106.1 -18.9 -32.1 21.0 235 236 A V E +b 9 0A 0 -227,-3.6 -225,-2.8 -2,-0.7 -18,-0.1 -0.767 20.8 172.4 -95.3 129.4 -22.1 -30.8 19.5 236 237 A G S > S+ 0 0 15 -2,-0.4 3,-1.5 -20,-0.3 4,-0.4 0.734 73.2 7.5 -96.2 -99.5 -25.5 -32.2 20.4 237 238 A G G > S+ 0 0 49 1,-0.3 3,-1.9 2,-0.2 4,-0.2 0.884 126.7 58.2 -53.9 -44.3 -28.7 -30.5 19.2 238 239 A A G > S+ 0 0 9 -22,-0.4 3,-1.2 1,-0.3 6,-0.5 0.697 92.7 69.4 -62.0 -18.6 -26.8 -28.1 16.9 239 240 A S G < S+ 0 0 0 -3,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.651 92.2 59.5 -75.5 -12.5 -25.3 -31.1 15.0 240 241 A L G < S+ 0 0 39 -3,-1.9 -1,-0.3 -4,-0.4 -2,-0.2 0.442 102.8 67.7 -91.6 -0.7 -28.7 -31.9 13.7 241 242 A K S X S- 0 0 115 -3,-1.2 3,-1.9 -4,-0.2 4,-0.3 -0.715 94.1-105.9-118.3 166.7 -29.0 -28.5 12.0 242 243 A P T >> S+ 0 0 98 0, 0.0 3,-1.2 0, 0.0 4,-0.7 0.745 111.0 75.5 -62.7 -20.1 -27.3 -26.6 9.2 243 244 A E H 3> S+ 0 0 52 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.688 77.0 76.5 -65.5 -16.9 -25.4 -24.5 11.8 244 245 A F H <> S+ 0 0 0 -3,-1.9 4,-1.6 -6,-0.5 -1,-0.3 0.900 93.5 50.9 -59.6 -40.1 -23.2 -27.5 12.4 245 246 A M H <> S+ 0 0 21 -3,-1.2 4,-1.9 -4,-0.3 -1,-0.2 0.847 107.5 52.9 -65.8 -34.6 -21.4 -26.7 9.1 246 247 A T H X S+ 0 0 68 -4,-0.7 4,-2.8 1,-0.2 -2,-0.2 0.905 105.8 53.9 -66.1 -41.1 -21.0 -23.1 10.3 247 248 A M H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.869 105.3 54.4 -60.3 -37.6 -19.4 -24.4 13.5 248 249 A I H X S+ 0 0 0 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.952 110.7 45.3 -61.2 -48.3 -16.9 -26.4 11.4 249 250 A D H X S+ 0 0 69 -4,-1.9 4,-2.7 1,-0.2 5,-0.2 0.918 112.7 50.5 -61.4 -44.8 -15.9 -23.1 9.6 250 251 A I H X S+ 0 0 27 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.901 110.8 49.2 -60.7 -41.8 -15.7 -21.2 12.8 251 252 A L H X S+ 0 0 0 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.2 0.898 112.3 48.7 -65.1 -40.2 -13.5 -23.9 14.4 252 253 A T H < S+ 0 0 38 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.943 113.9 44.2 -64.5 -50.0 -11.2 -23.9 11.3 253 254 A K H < S+ 0 0 195 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.787 113.4 53.6 -67.2 -28.3 -10.8 -20.1 11.2 254 255 A T H < 0 0 42 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.900 360.0 360.0 -76.7 -42.8 -10.2 -19.9 14.9 255 256 A R < 0 0 91 -4,-1.9 -29,-0.1 -5,-0.1 -251,-0.0 -0.502 360.0 360.0-135.4 360.0 -7.4 -22.4 15.4