==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 27-JAN-11 2Y6Z . COMPND 2 MOLECULE: TRIOSE-PHOSPHATE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TRYPANOSOMA BRUCEI BRUCEI; . AUTHOR G.SAAB-RINCON,L.OLVERA,M.OLVERA,E.RUDINO-PINERA,X.SOBERON,E. . 256 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12113.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 183 71.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 15.6 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 . 1 0.4 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 . 21 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 82 32.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.6 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 1 2 2 0 1 0 0 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 3 2 1 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 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 10 A S 0 0 166 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 24.5 48.8 -42.6 -24.4 2 11 A S + 0 0 117 2,-0.0 2,-0.1 0, 0.0 0, 0.0 0.016 360.0 109.8-146.2 32.7 51.6 -40.2 -25.2 3 12 A S - 0 0 107 1,-0.2 2,-0.0 2,-0.0 5,-0.0 -0.358 64.5-103.4 -96.1-177.3 54.8 -41.6 -23.7 4 13 A G - 0 0 64 2,-0.5 -1,-0.2 4,-0.3 4,-0.1 0.074 49.5 -77.6 -90.3-155.8 57.9 -43.1 -25.3 5 14 A L S S+ 0 0 183 2,-0.1 -2,-0.0 -2,-0.0 -1,-0.0 0.474 111.7 46.0 -86.8 -0.9 59.0 -46.7 -25.6 6 15 A V S S- 0 0 112 2,-0.1 -2,-0.5 1,-0.1 0, 0.0 -0.966 92.1 -85.6-153.5 146.1 60.2 -46.8 -22.0 7 16 A P - 0 0 85 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.090 66.2 -41.2 -55.8 162.0 59.1 -45.7 -18.5 8 17 A R - 0 0 206 1,-0.1 -4,-0.3 2,-0.1 -2,-0.1 -0.282 14.8-164.5 74.0-147.3 59.6 -42.3 -16.9 9 18 A G S S- 0 0 72 -2,-0.0 2,-0.2 0, 0.0 -1,-0.1 -0.530 84.0 -12.1 -99.0 60.6 61.8 -40.3 -16.8 10 19 A S - 0 0 77 1,-0.1 -2,-0.1 0, 0.0 3,-0.0 -0.831 55.0-118.1 163.4 159.8 60.0 -38.6 -13.9 11 20 A A S S+ 0 0 78 -2,-0.2 2,-0.3 -3,-0.0 -1,-0.1 0.530 78.8 115.1 -94.6 -9.7 56.7 -38.5 -12.0 12 21 A M + 0 0 68 1,-0.2 2,-0.1 -3,-0.1 220,-0.0 -0.875 32.6 156.7-113.5 150.4 56.3 -34.8 -12.9 13 22 A G - 0 0 69 -2,-0.3 -1,-0.2 197,-0.1 197,-0.0 0.741 24.0-176.2 102.4-164.1 54.6 -33.0 -14.4 14 23 A K - 0 0 61 196,-0.2 197,-0.1 -2,-0.1 199,-0.1 0.725 28.3-113.2 89.2 116.7 54.9 -29.4 -13.1 15 24 A P - 0 0 21 0, 0.0 197,-0.1 0, 0.0 196,-0.1 -0.012 60.0 -62.6 -66.9-178.7 52.9 -26.4 -14.3 16 25 A Q - 0 0 53 195,-0.2 32,-0.1 1,-0.1 -2,-0.1 -0.534 60.8-119.2 -76.4 132.0 54.8 -23.6 -16.1 17 26 A P - 0 0 10 0, 0.0 32,-2.5 0, 0.0 2,-0.3 -0.236 20.4-150.6 -64.8 150.5 57.4 -21.9 -13.8 18 27 A I E -ab 49 236A 0 217,-1.9 219,-1.4 30,-0.2 2,-0.4 -0.932 6.8-165.9-117.8 147.4 57.3 -18.3 -12.9 19 28 A A E -ab 50 237A 0 30,-2.1 32,-1.8 -2,-0.3 2,-0.3 -0.848 17.7-172.0-134.3 100.1 60.4 -16.1 -12.1 20 29 A A E -ab 51 238A 2 217,-2.8 219,-2.9 -2,-0.4 2,-0.5 -0.739 12.7-158.7-104.1 137.3 59.3 -12.9 -10.5 21 30 A A E -ab 52 239A 1 30,-2.5 32,-3.0 -2,-0.3 2,-0.7 -0.964 3.3-161.2-114.9 124.0 61.5 -9.9 -9.6 22 31 A N E -a 53 0A 41 217,-2.9 3,-0.4 -2,-0.5 221,-0.2 -0.905 8.0-177.5-108.0 107.0 60.3 -7.4 -7.0 23 32 A W E +a 54 0A 7 30,-2.1 32,-0.5 -2,-0.7 3,-0.3 -0.101 35.1 133.7 -94.6 36.9 62.1 -4.1 -7.3 24 33 A K S S+ 0 0 85 1,-0.2 2,-0.5 30,-0.1 -1,-0.2 0.804 71.7 44.1 -53.6 -34.4 60.5 -2.5 -4.3 25 34 A C S S+ 0 0 114 -3,-0.4 2,-0.3 30,-0.0 -1,-0.2 -0.737 79.7 105.3-125.3 87.7 63.8 -1.2 -3.0 26 35 A N - 0 0 39 -2,-0.5 2,-0.2 -3,-0.3 29,-0.1 -0.861 34.9-171.9-161.2 126.0 66.2 0.4 -5.5 27 36 A G + 0 0 53 -2,-0.3 3,-0.1 1,-0.1 31,-0.1 -0.485 57.8 101.5-113.9 59.9 67.2 4.0 -6.3 28 37 A G > + 0 0 20 -2,-0.2 4,-2.4 1,-0.1 3,-0.4 -0.468 36.6 174.5-140.4 66.9 69.2 3.6 -9.4 29 38 A G H > S+ 0 0 27 1,-0.2 4,-1.2 2,-0.2 -1,-0.1 0.729 84.3 51.7 -43.4 -28.4 67.1 4.6 -12.4 30 39 A Q H > S+ 0 0 134 2,-0.2 4,-2.0 3,-0.1 -1,-0.2 0.941 109.1 43.6 -75.5 -53.8 70.3 4.1 -14.5 31 40 A S H > S+ 0 0 52 -3,-0.4 4,-3.1 1,-0.2 -2,-0.2 0.832 112.2 55.8 -66.3 -33.1 71.4 0.6 -13.5 32 41 A L H X S+ 0 0 5 -4,-2.4 4,-2.6 2,-0.2 5,-0.3 0.945 104.8 52.1 -59.8 -49.9 67.8 -0.6 -13.7 33 42 A S H X S+ 0 0 26 -4,-1.2 4,-1.2 -5,-0.3 -2,-0.2 0.924 112.2 47.0 -50.0 -46.2 67.7 0.6 -17.3 34 43 A E H X S+ 0 0 103 -4,-2.0 4,-2.4 1,-0.2 3,-0.4 0.925 107.5 56.4 -64.4 -45.7 70.8 -1.4 -17.8 35 44 A L H X S+ 0 0 12 -4,-3.1 4,-2.8 1,-0.2 -2,-0.2 0.909 108.7 45.6 -48.3 -50.2 69.3 -4.5 -16.1 36 45 A I H X S+ 0 0 1 -4,-2.6 4,-2.4 2,-0.3 33,-0.3 0.718 107.6 58.3 -76.0 -17.4 66.4 -4.5 -18.4 37 46 A D H X S+ 0 0 77 -4,-1.2 4,-2.5 -3,-0.4 -1,-0.2 0.896 109.7 45.4 -65.4 -44.4 68.8 -4.1 -21.3 38 47 A L H < S+ 0 0 55 -4,-2.4 -2,-0.3 2,-0.2 -3,-0.2 0.929 112.0 50.9 -62.7 -46.7 70.4 -7.3 -20.0 39 48 A F H >< S+ 0 0 1 -4,-2.8 3,-1.3 1,-0.2 -2,-0.2 0.928 112.5 45.9 -58.8 -47.8 67.0 -8.9 -19.6 40 49 A N H 3< S+ 0 0 44 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.920 108.6 55.4 -59.3 -46.2 66.0 -8.0 -23.2 41 50 A S T 3< S+ 0 0 93 -4,-2.5 2,-0.6 -5,-0.1 -1,-0.3 0.287 93.5 103.0 -67.4 12.7 69.4 -9.2 -24.6 42 51 A T < - 0 0 16 -3,-1.3 2,-0.8 -5,-0.1 -3,-0.0 -0.881 63.7-148.4-115.5 120.9 68.6 -12.5 -22.9 43 52 A S - 0 0 89 -2,-0.6 2,-0.7 2,-0.0 -2,-0.1 -0.727 14.7-177.0 -88.9 111.7 67.5 -15.6 -24.7 44 53 A I + 0 0 15 -2,-0.8 4,-0.1 1,-0.1 -2,-0.0 -0.915 2.4 178.9-109.0 107.9 65.2 -17.7 -22.6 45 54 A N + 0 0 141 -2,-0.7 -1,-0.1 2,-0.1 2,-0.1 0.801 51.9 71.0 -86.1 -27.8 64.3 -20.7 -24.6 46 55 A H S S- 0 0 38 1,-0.1 2,-1.1 207,-0.0 210,-0.0 -0.299 95.6 -84.3 -86.8 171.1 62.1 -22.7 -22.2 47 56 A D + 0 0 106 209,-0.1 2,-0.3 -2,-0.1 -1,-0.1 -0.608 69.6 136.7 -78.5 100.0 58.5 -22.1 -21.1 48 57 A V - 0 0 2 -2,-1.1 2,-0.7 -4,-0.1 -30,-0.2 -0.990 47.8-136.7-143.2 137.5 58.7 -19.7 -18.1 49 58 A Q E -a 18 0A 39 -32,-2.5 -30,-2.1 -2,-0.3 2,-0.4 -0.855 22.8-159.5 -91.6 115.9 56.7 -16.7 -17.2 50 59 A C E -ac 19 73A 0 22,-3.0 24,-2.4 -2,-0.7 2,-0.4 -0.804 6.7-166.5 -96.0 136.8 59.0 -13.9 -16.0 51 60 A V E -ac 20 74A 1 -32,-1.8 -30,-2.5 -2,-0.4 2,-0.4 -0.973 8.1-164.7-124.4 136.9 57.5 -11.1 -14.0 52 61 A V E -ac 21 75A 2 22,-2.2 24,-2.5 -2,-0.4 -30,-0.2 -0.992 2.4-164.5-120.8 128.5 59.0 -7.7 -13.1 53 62 A A E -a 22 0A 2 -32,-3.0 -30,-2.1 -2,-0.4 2,-0.1 -0.808 14.2-174.3-110.7 88.7 57.5 -5.6 -10.3 54 63 A P E -a 23 0A 1 0, 0.0 24,-0.4 0, 0.0 2,-0.2 -0.475 17.9-131.7 -80.8 155.2 58.7 -2.0 -10.4 55 64 A S - 0 0 16 -32,-0.5 6,-2.4 2,-0.2 -30,-0.0 -0.487 19.6-123.6 -88.4 167.6 58.0 0.8 -7.9 56 65 A W S S+ 0 0 193 4,-0.2 6,-0.2 -2,-0.2 -1,-0.1 0.842 83.4 111.4 -73.8 -34.0 56.9 4.2 -8.9 57 66 A Y S S- 0 0 114 -33,-0.1 -2,-0.2 3,-0.1 4,-0.1 -0.013 86.9 -21.9 -41.4 133.6 59.9 5.4 -6.9 58 67 A M S S- 0 0 100 1,-0.1 4,-0.3 2,-0.1 3,-0.1 -0.127 125.1 -30.4 51.1-154.5 62.7 6.9 -9.2 59 68 A G S > S+ 0 0 34 1,-0.1 3,-1.1 3,-0.1 4,-0.4 0.978 104.4 122.3 -48.9 -77.4 62.6 5.8 -12.8 60 69 A A T 3> S+ 0 0 4 1,-0.2 4,-2.7 2,-0.2 -4,-0.2 -0.228 73.3 12.9 64.5-123.7 61.1 2.5 -12.0 61 70 A Q H 3> S+ 0 0 92 -6,-2.4 4,-2.9 1,-0.2 5,-0.3 0.865 127.6 53.2 -64.4 -37.1 57.8 1.5 -13.5 62 71 A A H <> S+ 0 0 72 -3,-1.1 4,-1.7 -4,-0.3 -1,-0.2 0.961 113.2 44.2 -59.6 -51.0 57.8 4.4 -16.1 63 72 A M H > S+ 0 0 26 -4,-0.4 4,-3.2 1,-0.2 5,-0.3 0.927 116.3 48.1 -57.0 -46.8 61.2 3.3 -17.3 64 73 A T H X S+ 0 0 1 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.896 106.8 53.2 -65.0 -45.9 60.2 -0.4 -17.3 65 74 A K H < S+ 0 0 106 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.909 119.4 37.8 -59.0 -39.7 56.9 -0.0 -19.2 66 75 A E H < S+ 0 0 164 -4,-1.7 -2,-0.2 -5,-0.3 -1,-0.2 0.972 124.4 33.9 -72.5 -57.5 58.8 1.8 -21.9 67 76 A R H < S+ 0 0 111 -4,-3.2 2,-0.6 -5,-0.2 -3,-0.2 0.591 95.2 87.0 -89.5 -12.5 62.1 -0.0 -22.1 68 77 A L < + 0 0 20 -4,-2.3 -31,-0.1 -5,-0.3 7,-0.0 -0.797 38.8 151.6 -93.6 124.4 61.2 -3.7 -21.3 69 78 A S + 0 0 93 -2,-0.6 -1,-0.2 -33,-0.3 4,-0.1 0.531 18.0 133.0-126.9 -16.2 60.2 -5.6 -24.4 70 79 A H > - 0 0 20 -34,-0.2 3,-1.5 1,-0.1 -30,-0.1 -0.142 54.7-135.0 -48.4 132.4 61.1 -9.2 -23.9 71 80 A P T 3 S+ 0 0 121 0, 0.0 -1,-0.1 0, 0.0 -31,-0.0 0.705 100.8 54.8 -67.7 -23.6 58.1 -11.5 -24.8 72 81 A K T 3 S+ 0 0 53 -23,-0.1 -22,-3.0 2,-0.0 2,-0.5 0.325 94.9 87.6 -95.6 11.4 58.3 -13.7 -21.7 73 82 A F E < -c 50 0A 17 -3,-1.5 2,-0.3 -24,-0.2 -22,-0.2 -0.922 49.8-179.2-111.7 130.7 58.1 -10.8 -19.3 74 83 A V E -c 51 0A 37 -24,-2.4 -22,-2.2 -2,-0.5 2,-0.4 -0.834 25.9-124.2-110.8 164.4 55.0 -9.2 -17.9 75 84 A I E -c 52 0A 21 -2,-0.3 21,-0.7 -24,-0.2 20,-0.7 -0.904 24.8-161.3-107.4 135.1 55.0 -6.2 -15.6 76 85 A A E -d 96 0A 2 -24,-2.5 2,-0.3 -2,-0.4 21,-0.3 -0.874 16.7-123.6-113.6 149.6 53.2 -6.5 -12.2 77 86 A A E -d 97 0A 10 19,-2.6 21,-2.4 -2,-0.3 2,-0.5 -0.631 25.3-126.4 -79.1 145.9 51.9 -3.8 -9.9 78 87 A Q E S-d 98 0A 21 -24,-0.4 21,-0.1 -2,-0.3 19,-0.0 -0.849 76.2 -24.2 -91.6 132.4 53.2 -3.9 -6.3 79 88 A N S S- 0 0 75 19,-2.0 19,-0.2 -2,-0.5 20,-0.1 0.134 80.5-150.1 47.6 176.8 50.2 -4.0 -3.9 80 89 A A + 0 0 10 1,-0.1 -1,-0.1 17,-0.1 42,-0.1 0.107 18.3 165.8 126.8 122.5 47.0 -2.5 -5.2 81 90 A G + 0 0 23 40,-0.1 2,-0.2 -2,-0.0 -1,-0.1 0.373 25.4 44.1-176.6-126.2 44.8 -1.3 -4.2 82 91 A N S > S- 0 0 111 1,-0.1 4,-1.4 36,-0.0 5,-0.1 -0.500 70.1-104.2 -89.0 174.4 41.6 0.8 -4.3 83 92 A A H > S+ 0 0 73 2,-0.2 4,-2.5 -2,-0.2 5,-0.2 0.875 130.0 52.1 -66.3 -36.6 38.9 -0.1 -6.9 84 93 A D H > S+ 0 0 121 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.910 104.0 57.1 -57.8 -43.8 40.2 3.1 -8.6 85 94 A A H > S+ 0 0 33 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.859 110.0 43.6 -59.0 -35.4 43.8 1.7 -8.3 86 95 A L H X S+ 0 0 9 -4,-1.4 4,-2.7 2,-0.2 -1,-0.2 0.919 111.8 52.1 -75.6 -45.5 42.7 -1.4 -10.3 87 96 A A H X S+ 0 0 52 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.903 111.5 48.8 -53.7 -43.4 40.8 0.7 -12.8 88 97 A S H X S+ 0 0 58 -4,-3.1 4,-1.3 2,-0.2 -2,-0.2 0.936 109.0 52.3 -61.1 -49.4 44.0 2.7 -13.2 89 98 A L H <>S+ 0 0 28 -4,-2.1 5,-2.3 1,-0.2 3,-0.5 0.904 107.6 51.5 -54.0 -48.7 46.1 -0.4 -13.6 90 99 A K H ><5S+ 0 0 125 -4,-2.7 3,-2.5 1,-0.2 -1,-0.2 0.937 104.0 58.9 -52.4 -50.0 43.9 -1.7 -16.4 91 100 A D H 3<5S+ 0 0 135 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.828 108.4 44.8 -48.6 -38.6 44.1 1.6 -18.2 92 101 A F T 3<5S- 0 0 143 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.219 118.1-111.3 -97.4 14.1 47.9 1.2 -18.4 93 102 A G T < 5 + 0 0 49 -3,-2.5 2,-0.5 1,-0.2 -3,-0.2 0.791 66.3 147.2 65.8 29.8 47.7 -2.4 -19.5 94 103 A I < + 0 0 19 -5,-2.3 -1,-0.2 -6,-0.1 -18,-0.1 -0.877 14.6 168.3 -95.2 127.6 49.1 -3.9 -16.3 95 104 A S + 0 0 59 -20,-0.7 33,-3.0 -2,-0.5 2,-0.3 0.344 48.7 71.2-127.3 3.8 47.5 -7.2 -15.6 96 105 A W E -de 76 128A 14 -21,-0.7 -19,-2.6 31,-0.2 2,-0.3 -0.931 54.3-170.5-121.6 148.8 49.5 -8.8 -12.8 97 106 A I E -de 77 129A 0 31,-2.6 33,-3.6 -2,-0.3 2,-0.6 -1.000 16.3-144.8-139.5 141.7 49.8 -8.0 -9.1 98 107 A V E +de 78 130A 14 -21,-2.4 -19,-2.0 -2,-0.3 2,-0.3 -0.907 27.8 171.6-101.2 119.0 52.0 -9.0 -6.1 99 108 A L E + e 0 131A 3 31,-2.8 33,-2.8 -2,-0.6 2,-0.2 -0.937 23.7 83.5-125.2 150.8 50.2 -9.2 -2.8 100 109 A G B > S+i 103 0B 3 2,-0.8 4,-1.4 -2,-0.3 5,-0.2 -0.716 74.0 24.8 169.8-115.1 51.3 -10.5 0.6 101 110 A H H >> S+ 0 0 19 -2,-0.2 4,-3.2 2,-0.2 3,-0.7 0.905 111.0 60.1 -65.5 -53.3 53.3 -9.5 3.6 102 111 A S H 34 S+ 0 0 67 1,-0.2 -2,-0.8 2,-0.2 -23,-0.1 -0.740 113.8 37.9 -64.8 118.7 52.8 -5.7 3.4 103 112 A E H 34 S+i 100 0B 18 -2,-0.7 -1,-0.2 -4,-0.1 11,-0.2 -0.384 118.6 49.2 121.3 -51.8 49.0 -6.1 3.7 104 113 A R H << S+ 0 0 0 -4,-1.4 7,-2.7 -3,-0.7 -2,-0.2 0.783 131.2 17.8 -79.2 -30.4 49.2 -8.9 6.1 105 114 A R S >< S+ 0 0 58 -4,-3.2 3,-1.2 5,-0.2 4,-0.5 0.570 94.1 93.2-124.6 -15.5 51.6 -7.0 8.3 106 115 A A T 3 S+ 0 0 44 -5,-0.5 -4,-0.1 1,-0.3 -1,-0.1 0.811 87.5 54.9 -53.6 -32.9 51.6 -3.3 7.5 107 116 A Y T 3 S- 0 0 144 -4,-0.1 -1,-0.3 1,-0.1 -2,-0.0 -0.143 127.8 -84.4-104.5 36.3 49.0 -2.5 10.2 108 117 A Y S < S+ 0 0 230 -3,-1.2 -2,-0.1 3,-0.0 -3,-0.1 0.852 99.2 12.9 66.3 41.2 50.8 -4.0 13.2 109 118 A G S S- 0 0 46 -4,-0.5 -4,-0.1 -5,-0.1 -3,-0.1 0.400 105.2 -34.5 131.9 111.2 49.9 -7.7 13.0 110 119 A E + 0 0 60 1,-0.2 2,-0.5 2,-0.1 -5,-0.2 0.801 46.6 171.0 33.1 79.6 48.3 -10.4 10.8 111 120 A T >> + 0 0 25 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2,-0.2 5,-2.2 0.928 112.4 54.0 -61.4 -46.9 44.6 -26.8 -2.1 201 210 A S H <5S+ 0 0 48 -4,-3.6 -1,-0.2 3,-0.2 -2,-0.2 0.925 117.1 37.0 -49.3 -51.7 44.2 -30.4 -3.4 202 211 A S H <5S+ 0 0 101 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.920 126.5 33.4 -69.0 -47.2 41.9 -31.3 -0.5 203 212 A K H <5S+ 0 0 143 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.745 134.9 18.2 -90.9 -24.6 39.9 -28.0 -0.1 204 213 A V T <5S- 0 0 28 -4,-2.8 -3,-0.2 -5,-0.4 2,-0.2 0.789 118.5 -68.1-112.3 -46.6 39.7 -26.7 -3.6 205 214 A G >< - 0 0 11 -5,-2.2 4,-2.0 2,-0.1 -3,-0.2 -0.612 20.3-121.7 155.7 142.4 40.4 -29.6 -6.0 206 215 A A H > S+ 0 0 61 2,-0.2 4,-1.7 -2,-0.2 5,-0.2 0.875 116.3 58.3 -68.4 -38.0 43.2 -31.9 -7.1 207 216 A D H >> S+ 0 0 96 1,-0.2 4,-1.0 2,-0.2 3,-0.6 0.976 111.7 39.2 -48.2 -61.5 42.6 -30.6 -10.6 208 217 A V H 3> S+ 0 0 22 1,-0.2 4,-1.4 2,-0.2 3,-0.3 0.839 111.2 60.4 -57.6 -37.9 43.4 -27.0 -9.4 209 218 A A H 3< S+ 0 0 3 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.808 103.7 47.1 -69.4 -32.1 46.2 -28.1 -7.1 210 219 A G H << S+ 0 0 41 -4,-1.7 -1,-0.2 -3,-0.6 -2,-0.2 0.735 113.7 48.1 -81.2 -23.8 48.4 -29.6 -9.8 211 220 A E H < S+ 0 0 143 -4,-1.0 -2,-0.2 -3,-0.3 -1,-0.2 0.672 92.0 103.6 -85.8 -22.2 48.0 -26.6 -12.1 212 221 A L < - 0 0 5 -4,-1.4 2,-0.5 -5,-0.2 -43,-0.1 -0.390 64.8-142.2 -64.2 132.8 48.7 -24.2 -9.2 213 222 A R - 0 0 29 -45,-0.5 -43,-2.8 -2,-0.2 2,-0.5 -0.846 13.4-169.8 -96.9 129.1 52.2 -22.7 -9.2 214 223 A I E -g 170 0A 0 -2,-0.5 21,-2.8 19,-0.2 22,-0.4 -0.974 10.3-161.9-116.6 114.1 53.8 -22.2 -5.8 215 224 A L E -g 171 0A 0 -45,-3.5 -43,-3.3 -2,-0.5 2,-0.5 -0.629 12.9-131.5 -91.7 151.4 56.9 -20.1 -5.9 216 225 A Y E -gh 172 237A 0 20,-3.1 22,-1.9 -2,-0.2 2,-0.4 -0.897 27.5-178.7 -99.5 137.9 59.5 -20.0 -3.3 217 226 A G E + h 0 238A 0 -45,-2.3 22,-0.2 -2,-0.5 -40,-0.1 -0.992 32.8 84.8-134.7 145.0 60.7 -16.6 -2.1 218 227 A G S S- 0 0 4 20,-0.7 -34,-0.5 -2,-0.4 -40,-0.2 0.432 100.4 -11.9 129.3 91.4 63.3 -15.5 0.5 219 228 A S S S+ 0 0 28 1,-0.2 2,-0.3 -36,-0.1 -36,-0.2 0.795 79.5 165.0 70.0 31.1 67.0 -15.0 -0.2 220 229 A V + 0 0 5 18,-0.3 22,-0.5 3,-0.1 2,-0.3 -0.597 8.2 157.6 -74.3 135.7 67.0 -16.7 -3.6 221 230 A N > - 0 0 41 -2,-0.3 4,-1.6 20,-0.1 22,-0.0 -0.875 57.2 -78.0-146.7-177.1 70.1 -16.1 -5.6 222 231 A G T 4 S+ 0 0 27 -2,-0.3 4,-0.4 1,-0.2 3,-0.1 0.864 123.7 50.7 -53.5 -41.4 72.1 -17.5 -8.4 223 232 A K T 4 S+ 0 0 157 1,-0.2 4,-0.4 2,-0.1 3,-0.3 0.941 117.3 32.7 -63.4 -50.1 73.7 -20.1 -6.2 224 233 A N T > S+ 0 0 17 1,-0.2 4,-1.7 -5,-0.1 -1,-0.2 0.557 93.4 87.1 -94.0 -9.3 70.7 -21.7 -4.5 225 234 A A H X S+ 0 0 0 -4,-1.6 4,-3.2 2,-0.2 5,-0.2 0.892 86.2 50.9 -62.0 -44.0 68.0 -21.4 -7.2 226 235 A R H > S+ 0 0 95 -4,-0.4 4,-2.4 -3,-0.3 -1,-0.2 0.976 110.9 45.8 -61.7 -58.2 68.7 -24.7 -9.1 227 236 A T H > S+ 0 0 77 -4,-0.4 4,-0.5 1,-0.2 -1,-0.2 0.859 115.8 49.8 -52.4 -38.2 68.7 -27.0 -6.1 228 237 A L H >< S+ 0 0 2 -4,-1.7 3,-1.6 1,-0.2 -1,-0.2 0.956 109.5 48.8 -65.2 -50.5 65.6 -25.2 -4.9 229 238 A Y H 3< S+ 0 0 18 -4,-3.2 5,-0.2 1,-0.3 -2,-0.2 0.800 97.4 72.2 -62.2 -28.5 63.8 -25.6 -8.3 230 239 A Q H 3< S+ 0 0 104 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.775 76.2 106.4 -54.2 -30.2 64.7 -29.3 -8.3 231 240 A Q S X< S- 0 0 44 -3,-1.6 3,-1.6 -4,-0.5 -44,-0.0 -0.281 80.6-123.1 -60.3 136.2 62.1 -29.9 -5.6 232 241 A R T 3 S+ 0 0 132 1,-0.3 -1,-0.1 3,-0.0 -219,-0.1 0.746 106.4 37.3 -47.9 -34.1 58.9 -31.6 -6.7 233 242 A D T 3 S+ 0 0 22 -219,-0.1 2,-0.5 -20,-0.0 -1,-0.3 0.305 89.0 102.6-114.3 9.0 56.6 -28.8 -5.5 234 243 A V < + 0 0 0 -3,-1.6 -19,-0.2 -5,-0.2 3,-0.1 -0.833 39.2 177.9 -94.8 125.5 58.6 -25.6 -6.3 235 244 A N - 0 0 1 -21,-2.8 -217,-1.9 -2,-0.5 2,-0.3 0.190 58.1 -61.2-114.6 17.0 57.4 -23.8 -9.4 236 245 A G E -b 18 0A 0 -22,-0.4 -20,-3.1 -219,-0.2 2,-0.4 -0.930 62.0 -64.7 137.7-158.2 59.7 -20.9 -9.4 237 246 A F E -bh 19 216A 0 -219,-1.4 -217,-2.8 -2,-0.3 2,-0.6 -0.967 6.6-150.8-141.8 137.4 60.8 -17.9 -7.4 238 247 A L E -bh 20 217A 10 -22,-1.9 -20,-0.7 -2,-0.4 2,-0.5 -0.961 37.2-169.3 -99.8 118.7 59.8 -14.6 -6.0 239 248 A V E +b 21 0A 2 -219,-2.9 -217,-2.9 -2,-0.6 -22,-0.1 -0.940 23.3 164.0-123.4 125.6 63.1 -12.6 -5.9 240 249 A G S >> S+ 0 0 35 -2,-0.5 3,-0.9 -219,-0.2 4,-0.5 0.844 75.2 22.1 -94.5 -84.3 63.9 -9.3 -4.2 241 250 A G G >4 S+ 0 0 54 1,-0.3 3,-1.2 2,-0.2 -20,-0.1 0.874 126.1 45.1 -59.4 -46.8 67.6 -8.5 -3.8 242 251 A A G >4 S+ 0 0 8 -22,-0.5 3,-1.2 1,-0.3 6,-0.4 0.631 98.7 73.2 -78.1 -10.9 69.1 -10.7 -6.4 243 252 A S G <4 S+ 0 0 0 -3,-0.9 -1,-0.3 1,-0.3 -2,-0.2 0.714 90.2 61.0 -72.8 -18.2 66.4 -9.7 -8.9 244 253 A L G << S+ 0 0 39 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.1 0.108 100.7 69.4 -92.8 21.1 68.3 -6.3 -9.1 245 254 A K S X S- 0 0 107 -3,-1.2 3,-2.5 -210,-0.0 4,-0.3 -0.925 94.6-105.2-136.7 159.4 71.4 -8.0 -10.4 246 255 A P T > S+ 0 0 91 0, 0.0 3,-1.5 0, 0.0 4,-0.4 0.766 112.3 75.1 -55.4 -23.2 72.6 -9.8 -13.5 247 256 A E T >> S+ 0 0 51 1,-0.3 4,-1.8 2,-0.2 3,-0.6 0.644 71.5 81.9 -67.4 -13.5 72.3 -13.0 -11.6 248 257 A F H <> S+ 0 0 0 -3,-2.5 4,-2.6 -6,-0.4 -1,-0.3 0.909 85.2 60.7 -53.8 -39.0 68.5 -12.8 -12.0 249 258 A V H <> S+ 0 0 13 -3,-1.5 4,-2.6 -4,-0.3 -1,-0.2 0.886 104.2 48.9 -52.1 -41.4 69.2 -14.3 -15.4 250 259 A D H <> S+ 0 0 77 -3,-0.6 4,-2.0 -4,-0.4 -1,-0.2 0.823 106.3 54.7 -69.1 -35.1 70.6 -17.3 -13.7 251 260 A I H X S+ 0 0 0 -4,-1.8 4,-0.6 2,-0.2 -2,-0.2 0.916 110.3 48.5 -62.6 -41.1 67.6 -17.5 -11.4 252 261 A I H >< S+ 0 0 2 -4,-2.6 3,-1.6 1,-0.2 -2,-0.2 0.950 109.5 50.3 -62.0 -50.8 65.6 -17.7 -14.6 253 262 A K H >< S+ 0 0 110 -4,-2.6 3,-1.5 1,-0.3 -1,-0.2 0.853 102.5 62.3 -55.6 -35.6 67.8 -20.3 -16.1 254 263 A A H 3< S+ 0 0 9 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.739 89.4 72.0 -61.7 -21.2 67.4 -22.4 -12.9 255 264 A T T << 0 0 1 -3,-1.6 -1,-0.3 -4,-0.6 -2,-0.2 0.259 360.0 360.0 -83.3 14.2 63.7 -22.5 -13.6 256 265 A Q < 0 0 140 -3,-1.5 -1,-0.2 -210,-0.0 -2,-0.2 0.747 360.0 360.0-103.2 360.0 64.3 -24.9 -16.5