==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR 21-MAR-11 3R6I . COMPND 2 MOLECULE: ALDO-KETO REDUCTASE FAMILY 1 MEMBER C3; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Y.YOSAATMADJA,R.M.TEAGUE,J.U.FLANAGAN,C.J.SQUIRE . 303 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13176.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 211 69.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 37 12.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 2.6 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 . 2 0.7 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 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 90 29.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.6 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 0 0 1 2 1 1 1 0 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 2 2 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 . 2 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 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 6 A Q 0 0 103 0, 0.0 12,-2.2 0, 0.0 13,-0.4 0.000 360.0 360.0 360.0-174.2 21.9 -3.7 -2.2 2 7 A C E -A 12 0A 71 10,-0.3 2,-0.4 11,-0.1 8,-0.0 -0.893 360.0-134.5-134.4 156.6 21.7 -4.9 -5.8 3 8 A V E -A 11 0A 46 8,-2.8 8,-2.7 -2,-0.3 2,-0.6 -0.949 26.6-122.2-114.7 142.9 21.6 -8.1 -7.7 4 9 A K E -A 10 0A 135 -2,-0.4 6,-0.3 6,-0.2 5,-0.1 -0.701 30.1-140.9 -81.9 120.7 23.7 -8.7 -10.8 5 10 A L > - 0 0 3 4,-3.2 3,-2.1 -2,-0.6 189,-0.1 -0.362 26.5-101.9 -75.2 167.2 21.5 -9.4 -13.8 6 11 A N T 3 S+ 0 0 43 187,-0.4 -1,-0.1 1,-0.3 162,-0.1 0.594 121.4 54.5 -71.2 -4.9 22.3 -11.9 -16.5 7 12 A D T 3 S- 0 0 44 2,-0.1 -1,-0.3 160,-0.1 3,-0.1 0.267 122.1-101.3-104.3 7.3 23.5 -9.1 -18.9 8 13 A G S < S+ 0 0 37 -3,-2.1 -2,-0.1 1,-0.3 2,-0.1 0.229 86.0 119.1 96.6 -12.6 25.9 -7.6 -16.4 9 14 A H - 0 0 70 135,-0.1 -4,-3.2 -5,-0.1 2,-0.4 -0.323 59.9-125.8 -77.4 163.1 23.7 -4.6 -15.2 10 15 A F E -A 4 0A 121 -6,-0.3 -6,-0.2 -3,-0.1 -1,-0.0 -0.947 16.6-160.3-118.7 139.1 22.7 -4.4 -11.6 11 16 A M E -A 3 0A 0 -8,-2.7 -8,-2.8 -2,-0.4 32,-0.1 -0.961 25.1-119.0-120.5 131.4 19.2 -4.1 -10.2 12 17 A P E -A 2 0A 17 0, 0.0 -10,-0.3 0, 0.0 29,-0.0 -0.407 22.7-137.3 -64.8 136.6 18.4 -2.8 -6.6 13 18 A V S S+ 0 0 25 -12,-2.2 237,-2.6 236,-0.1 2,-0.5 0.624 88.7 58.7 -78.0 -15.1 16.6 -5.6 -4.8 14 19 A L E S-b 250 0B 8 -13,-0.4 29,-0.6 235,-0.2 28,-0.6 -0.969 73.8-173.3-110.8 125.0 14.0 -3.4 -3.2 15 20 A G E -bc 251 43B 0 235,-3.0 237,-1.8 -2,-0.5 2,-0.5 -0.913 23.6-122.5-117.7 157.4 11.9 -1.4 -5.7 16 21 A F E -bc 252 44B 0 27,-3.3 29,-3.1 -2,-0.3 2,-0.4 -0.799 21.7-142.2 -98.6 124.0 9.2 1.3 -5.3 17 22 A G E -bc 253 45B 9 235,-2.0 237,-0.6 -2,-0.5 29,-0.1 -0.735 17.4-176.8 -86.7 129.7 5.8 0.5 -6.8 18 23 A T + 0 0 0 27,-1.6 -1,-0.1 -2,-0.4 28,-0.1 0.544 39.1 119.1-106.9 -5.9 4.2 3.6 -8.5 19 24 A Y + 0 0 51 26,-0.2 32,-0.1 27,-0.0 -2,-0.1 -0.368 31.6 166.7 -66.4 131.7 0.8 2.3 -9.6 20 25 A A - 0 0 2 30,-0.3 -2,-0.0 4,-0.1 9,-0.0 -0.981 40.4-102.0-133.4 146.7 -2.2 4.1 -8.0 21 26 A P > - 0 0 16 0, 0.0 3,-2.4 0, 0.0 29,-0.0 -0.256 39.5-100.6 -64.5 163.1 -5.8 3.8 -9.2 22 27 A P T 3 S+ 0 0 84 0, 0.0 4,-0.1 0, 0.0 28,-0.0 0.733 116.8 69.9 -61.9 -20.5 -7.2 6.6 -11.3 23 28 A E T 3 S+ 0 0 143 2,-0.1 3,-0.0 3,-0.0 0, 0.0 0.588 82.7 83.6 -70.7 -5.5 -9.1 8.1 -8.3 24 29 A V S < S- 0 0 39 -3,-2.4 5,-0.1 1,-0.0 -4,-0.1 -0.874 96.7-109.8 -94.5 123.4 -5.7 9.2 -6.8 25 30 A P > - 0 0 78 0, 0.0 3,-1.8 0, 0.0 4,-0.5 -0.220 21.4-120.7 -56.9 145.3 -4.7 12.6 -8.5 26 31 A R T >> S+ 0 0 59 1,-0.3 3,-0.6 2,-0.2 4,-0.6 0.740 108.1 68.2 -56.8 -26.9 -1.8 12.3 -10.9 27 32 A S H >> S+ 0 0 78 1,-0.2 4,-1.6 2,-0.2 3,-0.6 0.780 84.9 69.7 -69.4 -24.7 0.2 14.8 -8.8 28 33 A K H <> S+ 0 0 84 -3,-1.8 4,-2.8 1,-0.2 5,-0.3 0.919 90.3 62.0 -58.1 -39.0 0.5 12.3 -5.9 29 34 A A H <> S+ 0 0 2 -3,-0.6 4,-1.7 -4,-0.5 -1,-0.2 0.830 104.3 49.6 -54.3 -35.5 2.9 10.0 -8.0 30 35 A L H S+ 0 0 0 -4,-2.2 5,-2.9 2,-0.2 4,-1.2 0.924 110.3 45.6 -65.8 -44.7 10.7 7.1 -1.9 37 42 A I H ><5S+ 0 0 1 -4,-2.1 3,-0.8 3,-0.2 -2,-0.2 0.948 112.7 51.7 -65.7 -41.8 14.0 8.2 -3.3 38 43 A E H 3<5S+ 0 0 94 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.878 108.0 53.9 -58.8 -39.2 14.5 10.4 -0.1 39 44 A A H 3<5S- 0 0 19 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.725 131.7 -91.1 -67.6 -24.9 13.8 7.3 2.0 40 45 A G T <<5S+ 0 0 37 -4,-1.2 -3,-0.2 -3,-0.8 2,-0.2 0.389 76.4 142.6 125.3 -2.9 16.4 5.3 0.2 41 46 A F < + 0 0 3 -5,-2.9 -1,-0.3 -6,-0.2 -26,-0.1 -0.496 15.3 170.0 -70.2 139.4 14.5 3.6 -2.8 42 47 A R + 0 0 80 -28,-0.6 33,-3.4 -2,-0.2 2,-0.5 0.409 59.3 70.0-127.8 -6.7 16.7 3.4 -5.9 43 48 A H E -cd 15 75B 1 -29,-0.6 -27,-3.3 31,-0.2 2,-0.5 -0.968 63.7-170.5-119.0 129.8 14.6 1.2 -8.1 44 49 A I E -cd 16 76B 0 31,-2.9 33,-2.5 -2,-0.5 2,-0.6 -0.987 8.4-152.7-130.2 118.0 11.3 2.7 -9.3 45 50 A D E +cd 17 77B 4 -29,-3.1 -27,-1.6 -2,-0.5 -26,-0.2 -0.847 29.5 146.8-104.3 119.2 8.7 0.6 -11.1 46 51 A S - 0 0 0 31,-1.9 2,-0.3 -2,-0.6 3,-0.1 -0.628 20.7-166.8-135.0-171.1 6.4 2.3 -13.6 47 52 A A > > - 0 0 0 31,-0.2 3,-0.7 -2,-0.2 5,-0.5 -0.934 40.1-107.3-174.3 155.1 4.6 1.4 -17.0 48 53 A H G > 5S+ 0 0 69 31,-1.5 3,-1.7 -2,-0.3 5,-0.2 0.924 119.2 61.5 -56.9 -45.2 2.7 3.0 -19.9 49 54 A L G 3 5S+ 0 0 79 30,-0.3 -1,-0.2 1,-0.2 31,-0.0 0.819 91.6 65.5 -48.4 -35.5 -0.4 1.5 -18.3 50 55 A Y G < 5S- 0 0 26 -3,-0.7 -30,-0.3 1,-0.1 -1,-0.2 0.603 90.0-142.4 -72.2 -16.2 0.0 3.5 -15.0 51 56 A N T < 5S+ 0 0 118 -3,-1.7 -3,-0.1 -4,-0.4 -2,-0.1 0.896 77.5 95.8 57.9 40.7 -0.5 6.9 -16.7 52 57 A N >< + 0 0 0 -5,-0.5 4,-2.9 -4,-0.1 5,-0.2 0.296 35.6 109.7-139.8 7.1 2.2 8.4 -14.4 53 58 A E H > S+ 0 0 5 -6,-0.3 4,-2.8 1,-0.2 5,-0.3 0.869 79.3 55.2 -61.6 -32.6 5.4 8.3 -16.3 54 59 A E H > S+ 0 0 122 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.936 114.9 40.2 -63.1 -44.3 5.5 12.2 -16.6 55 60 A Q H > S+ 0 0 42 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.911 116.6 48.4 -69.6 -42.9 5.2 12.5 -12.8 56 61 A V H X S+ 0 0 0 -4,-2.9 4,-2.2 2,-0.2 -2,-0.2 0.931 113.8 47.2 -66.3 -44.3 7.5 9.6 -12.0 57 62 A G H X S+ 0 0 0 -4,-2.8 4,-2.9 -5,-0.2 5,-0.2 0.913 110.6 53.0 -60.4 -43.2 10.2 11.0 -14.5 58 63 A L H X S+ 0 0 75 -4,-2.2 4,-3.0 -5,-0.3 -2,-0.2 0.932 107.8 50.9 -61.5 -43.6 9.8 14.5 -13.0 59 64 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.922 112.1 47.1 -57.6 -46.6 10.4 13.1 -9.5 60 65 A I H X S+ 0 0 0 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.971 114.8 45.1 -60.9 -47.8 13.6 11.3 -10.7 61 66 A R H X S+ 0 0 83 -4,-2.9 4,-3.1 1,-0.2 -2,-0.2 0.885 111.5 54.4 -64.4 -37.2 14.8 14.5 -12.6 62 67 A S H X S+ 0 0 38 -4,-3.0 4,-2.3 -5,-0.2 -1,-0.2 0.903 108.7 47.0 -58.1 -47.1 13.9 16.6 -9.5 63 68 A K H <>S+ 0 0 8 -4,-2.3 6,-1.5 -5,-0.2 5,-1.0 0.752 114.0 48.7 -74.5 -20.2 16.0 14.4 -7.3 64 69 A I H ><5S+ 0 0 54 -4,-1.8 3,-1.6 4,-0.2 -2,-0.2 0.950 112.2 49.3 -74.8 -45.6 18.9 14.5 -9.8 65 70 A A H 3<5S+ 0 0 86 -4,-3.1 -2,-0.2 1,-0.3 -3,-0.2 0.824 108.6 50.1 -62.5 -43.4 18.7 18.3 -10.1 66 71 A D T 3<5S- 0 0 91 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.1 0.429 117.2-114.5 -79.9 2.7 18.7 19.0 -6.4 67 72 A G T < 5S+ 0 0 60 -3,-1.6 -3,-0.2 2,-0.2 -2,-0.1 0.470 80.3 120.2 85.4 4.7 21.7 16.8 -6.1 68 73 A S S > - 0 0 119 -2,-0.3 3,-2.2 1,-0.1 4,-0.5 -0.743 34.5-109.5-100.2 159.0 22.8 10.8 -10.0 71 76 A R G >4 S+ 0 0 32 -2,-0.3 3,-2.0 1,-0.3 -1,-0.1 0.917 120.2 56.2 -54.1 -42.5 20.9 9.3 -12.9 72 77 A E G 34 S+ 0 0 128 1,-0.3 -1,-0.3 3,-0.1 -3,-0.0 0.635 99.6 61.4 -67.6 -9.4 23.1 6.2 -12.8 73 78 A D G <4 S+ 0 0 74 -3,-2.2 2,-0.4 2,-0.0 -1,-0.3 0.582 94.3 77.6 -85.4 -13.0 22.1 5.7 -9.1 74 79 A I << - 0 0 2 -3,-2.0 2,-0.6 -4,-0.5 -31,-0.2 -0.817 64.8-157.5-102.3 139.1 18.4 5.3 -10.2 75 80 A F E -d 43 0B 7 -33,-3.4 -31,-2.9 -2,-0.4 2,-0.5 -0.964 19.7-173.4-115.2 108.3 17.0 2.0 -11.7 76 81 A Y E -d 44 0B 0 -2,-0.6 32,-1.7 -33,-0.2 31,-1.6 -0.917 4.8-165.7-114.6 127.4 13.9 2.9 -13.6 77 82 A T E +de 45 108B 0 -33,-2.5 -31,-1.9 -2,-0.5 2,-0.3 -0.904 9.4 174.3-114.4 135.8 11.5 0.4 -15.2 78 83 A S E - e 0 109B 0 30,-2.3 32,-1.5 -2,-0.4 2,-0.4 -0.797 18.5-138.4-129.5 175.1 8.8 0.9 -17.7 79 84 A K E - e 0 110B 0 -2,-0.3 -31,-1.5 30,-0.2 2,-0.5 -0.999 14.6-118.7-143.8 136.3 6.7 -1.7 -19.5 80 85 A L E - e 0 111B 0 30,-3.0 32,-1.9 -2,-0.4 33,-0.4 -0.589 37.1-127.0 -74.4 119.0 5.3 -2.2 -23.0 81 86 A W > - 0 0 57 -2,-0.5 3,-2.1 31,-0.1 36,-0.1 -0.346 21.0-111.2 -71.6 157.0 1.5 -2.2 -23.0 82 87 A S G > S+ 0 0 1 1,-0.3 35,-2.9 2,-0.2 3,-0.6 0.557 113.3 64.2 -75.5 -9.7 -0.3 -5.2 -24.5 83 88 A T G 3 S+ 0 0 32 33,-0.2 -1,-0.3 1,-0.2 3,-0.2 0.463 100.1 57.8 -83.8 -2.2 -1.7 -3.2 -27.5 84 89 A F G < + 0 0 57 -3,-2.1 -1,-0.2 1,-0.1 -2,-0.2 0.021 66.7 110.6-118.5 27.5 1.9 -2.7 -28.7 85 90 A H < + 0 0 2 -3,-0.6 -1,-0.1 32,-0.3 5,-0.1 0.720 45.9 103.2 -75.3 -25.2 3.2 -6.3 -29.0 86 91 A R S >> S- 0 0 98 -3,-0.2 3,-2.3 1,-0.1 4,-0.6 -0.494 83.7-123.8 -59.7 131.6 3.4 -6.1 -32.8 87 92 A P H >> S+ 0 0 46 0, 0.0 3,-1.3 0, 0.0 4,-0.6 0.824 106.6 58.8 -55.2 -38.6 7.2 -5.8 -33.3 88 93 A E H 34 S+ 0 0 128 1,-0.3 -2,-0.1 2,-0.1 -3,-0.1 0.714 106.8 50.6 -66.1 -18.0 7.0 -2.5 -35.4 89 94 A L H <> S+ 0 0 49 -3,-2.3 4,-2.0 2,-0.1 -1,-0.3 0.564 89.7 81.0 -89.1 -17.0 5.2 -0.8 -32.4 90 95 A V H S+ 0 0 59 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.876 109.8 52.1 -60.3 -36.8 7.9 3.7 -30.8 93 98 A A H X S+ 0 0 15 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.916 112.8 46.0 -64.2 -42.9 6.1 2.7 -27.5 94 99 A L H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 3,-0.2 0.941 109.7 51.7 -61.4 -46.5 9.4 2.8 -25.7 95 100 A E H X S+ 0 0 80 -4,-2.9 4,-2.6 1,-0.3 -2,-0.2 0.889 109.3 53.8 -64.0 -32.2 10.5 6.1 -27.1 96 101 A N H X S+ 0 0 92 -4,-2.0 4,-2.3 -5,-0.3 -1,-0.3 0.873 106.9 48.1 -64.8 -42.4 7.1 7.5 -26.0 97 102 A S H X S+ 0 0 2 -4,-1.7 4,-2.5 -3,-0.2 5,-0.2 0.906 112.7 51.7 -62.0 -44.6 7.6 6.4 -22.4 98 103 A L H X>S+ 0 0 11 -4,-2.9 5,-1.8 2,-0.2 4,-1.3 0.924 108.9 48.5 -55.2 -47.3 11.0 8.0 -22.6 99 104 A K H <5S+ 0 0 61 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.912 112.0 50.7 -68.1 -36.7 9.6 11.3 -23.9 100 105 A K H <5S+ 0 0 82 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.921 117.7 37.1 -60.0 -48.0 6.9 11.2 -21.1 101 106 A A H <5S- 0 0 0 -4,-2.5 -1,-0.2 -44,-0.1 -40,-0.2 0.591 105.5-132.3 -77.8 -14.1 9.5 10.6 -18.3 102 107 A Q T <5 + 0 0 127 -4,-1.3 2,-0.3 -5,-0.2 -3,-0.2 0.913 59.7 137.2 54.3 48.2 12.0 12.9 -20.2 103 108 A L < - 0 0 16 -5,-1.8 -1,-0.2 -6,-0.2 -2,-0.1 -0.849 59.0-137.2-115.6 159.4 14.7 10.3 -19.8 104 109 A D S S- 0 0 144 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.708 84.7 -1.2 -84.9 -22.5 17.3 9.2 -22.3 105 110 A Y - 0 0 40 -7,-0.1 2,-0.3 3,-0.0 -1,-0.2 -0.971 63.5-125.8-156.4 157.4 17.0 5.5 -21.4 106 111 A V E - f 0 143B 0 36,-2.5 38,-2.3 -2,-0.3 39,-0.3 -0.850 17.3-139.0 -97.7 146.3 15.1 3.1 -19.1 107 112 A D E S+ 0 0 19 -31,-1.6 38,-1.6 -2,-0.3 2,-0.4 0.861 91.0 15.3 -68.4 -29.3 17.2 0.7 -16.9 108 113 A L E -ef 77 145B 1 -32,-1.7 -30,-2.3 36,-0.2 2,-0.4 -0.995 60.7-170.3-149.7 133.3 14.6 -2.0 -17.7 109 114 A Y E -ef 78 146B 1 36,-1.8 38,-2.1 -2,-0.4 2,-0.4 -0.996 17.9-168.4-122.7 133.2 11.8 -2.4 -20.2 110 115 A L E -ef 79 147B 0 -32,-1.5 -30,-3.0 -2,-0.4 2,-0.7 -0.906 34.2-116.1-120.9 149.0 9.4 -5.3 -19.8 111 116 A I E -ef 80 148B 0 36,-1.9 38,-1.3 -2,-0.4 -30,-0.1 -0.741 36.4-147.8 -72.2 116.2 6.8 -7.0 -21.9 112 117 A H - 0 0 15 -32,-1.9 -1,-0.2 -2,-0.7 -31,-0.1 0.858 68.0 -9.5 -64.2 -36.1 4.0 -6.0 -19.4 113 118 A S - 0 0 8 -33,-0.4 -1,-0.2 -3,-0.1 37,-0.2 -0.990 54.1-128.8-159.9 147.6 1.9 -9.1 -20.1 114 119 A P S S+ 0 0 2 0, 0.0 2,-1.4 0, 0.0 13,-0.1 0.520 83.8 98.5 -78.8 -0.8 1.8 -12.1 -22.5 115 120 A M - 0 0 18 183,-0.1 -33,-0.1 9,-0.1 9,-0.1 -0.622 69.2-149.2 -92.3 93.6 -1.9 -11.4 -23.3 116 121 A S - 0 0 5 -2,-1.4 7,-1.7 7,-0.2 2,-0.3 -0.207 9.9-160.0 -61.8 142.0 -1.9 -9.4 -26.6 117 122 A L B -J 122 0C 47 -35,-2.9 -32,-0.3 5,-0.3 5,-0.2 -0.915 35.0 -84.6-123.9 150.2 -4.7 -6.9 -27.1 118 123 A K 0 0 44 3,-3.0 5,-0.1 -2,-0.3 -35,-0.1 -0.326 360.0 360.0 -58.8 130.9 -5.8 -5.5 -30.5 119 124 A P 0 0 98 0, 0.0 -35,-0.1 0, 0.0 -1,-0.1 -0.072 360.0 360.0 -50.7 360.0 -3.6 -2.4 -31.6 120 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 121 138 A I 0 0 113 0, 0.0 -3,-3.0 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 117.1 -10.6 -7.5 -28.3 122 139 A F B -J 117 0C 91 -5,-0.2 2,-0.3 -4,-0.0 -5,-0.3 -0.309 360.0-153.1 -73.1 160.2 -7.7 -10.0 -28.0 123 140 A D - 0 0 27 -7,-1.7 2,-0.5 -5,-0.1 -7,-0.2 -0.900 12.0-132.1-132.6 159.6 -4.8 -10.2 -30.6 124 141 A I + 0 0 142 -2,-0.3 2,-0.4 -9,-0.1 -9,-0.1 -0.973 36.7 161.6-113.1 115.3 -2.6 -13.1 -31.8 125 142 A V - 0 0 26 -2,-0.5 2,-1.0 -39,-0.0 -9,-0.2 -0.992 44.9-120.0-132.9 138.6 1.1 -12.1 -31.9 126 143 A D >> - 0 0 98 -2,-0.4 3,-1.7 1,-0.2 4,-1.4 -0.683 23.6-158.9 -68.0 103.4 4.2 -14.2 -31.9 127 144 A L H 3> S+ 0 0 21 -2,-1.0 4,-2.6 1,-0.3 -1,-0.2 0.688 88.1 70.5 -68.0 -13.5 5.9 -12.8 -28.7 128 145 A C H 3> S+ 0 0 20 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.882 100.0 46.0 -66.3 -36.4 9.2 -14.1 -30.2 129 146 A T H <> S+ 0 0 40 -3,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.872 111.1 52.2 -71.7 -36.2 8.9 -11.2 -32.7 130 147 A T H X S+ 0 0 0 -4,-1.4 4,-2.0 1,-0.2 -2,-0.2 0.945 109.2 52.3 -59.3 -45.2 8.0 -8.8 -29.9 131 148 A W H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.911 105.1 52.9 -59.2 -41.3 11.1 -10.1 -28.1 132 149 A E H X S+ 0 0 65 -4,-1.8 4,-2.1 1,-0.3 -1,-0.2 0.921 108.6 50.6 -62.7 -40.7 13.3 -9.4 -31.2 133 150 A A H X S+ 0 0 11 -4,-2.1 4,-1.4 2,-0.2 -1,-0.3 0.844 108.4 52.2 -61.8 -37.8 12.0 -5.9 -31.2 134 151 A M H X S+ 0 0 0 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.900 107.2 53.8 -61.5 -44.4 12.9 -5.6 -27.4 135 152 A E H X S+ 0 0 14 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.939 104.4 53.3 -56.5 -45.6 16.4 -6.9 -28.2 136 153 A K H X S+ 0 0 128 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.868 105.7 56.1 -57.8 -33.9 16.8 -4.1 -30.8 137 154 A C H X>S+ 0 0 0 -4,-1.4 5,-2.0 2,-0.2 6,-1.0 0.897 107.8 46.2 -66.6 -41.4 15.8 -1.6 -28.1 138 155 A K H ><5S+ 0 0 33 -4,-1.8 3,-1.1 4,-0.2 -1,-0.2 0.913 112.8 52.1 -62.3 -46.4 18.6 -2.8 -25.8 139 156 A D H 3<5S+ 0 0 79 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.920 107.9 50.7 -58.0 -42.5 21.0 -2.7 -28.8 140 157 A A H 3<5S- 0 0 49 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.619 115.9-116.4 -71.3 -11.3 20.0 0.9 -29.5 141 158 A G T <<5S+ 0 0 32 -3,-1.1 -3,-0.2 -4,-0.5 3,-0.1 0.582 83.4 120.0 86.0 9.3 20.6 1.9 -25.9 142 159 A L S - 0 0 22 -2,-0.4 4,-2.5 -3,-0.1 5,-0.2 -0.381 38.5 -87.5 -83.0-178.9 4.4 -18.5 -16.8 153 170 A R H > S+ 0 0 130 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.936 127.1 47.6 -60.2 -48.5 7.1 -21.2 -17.2 154 171 A R H > S+ 0 0 57 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.893 113.1 48.4 -59.5 -39.8 5.9 -22.3 -20.7 155 172 A Q H > S+ 0 0 13 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.912 112.2 48.7 -69.7 -38.5 5.8 -18.7 -22.0 156 173 A L H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 3,-0.4 0.942 108.9 54.7 -65.2 -42.3 9.2 -18.0 -20.6 157 174 A E H X S+ 0 0 62 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.853 99.8 60.6 -59.4 -39.4 10.5 -21.2 -22.2 158 175 A M H < S+ 0 0 126 -4,-2.0 4,-0.4 1,-0.2 -1,-0.2 0.894 109.7 41.9 -57.1 -44.4 9.3 -20.1 -25.6 159 176 A I H >< S+ 0 0 2 -4,-1.2 3,-1.2 -3,-0.4 -1,-0.2 0.924 114.0 51.0 -64.9 -46.4 11.5 -17.0 -25.5 160 177 A L H 3< S+ 0 0 32 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.804 112.9 46.8 -65.4 -28.8 14.5 -18.9 -24.0 161 178 A N T 3< S+ 0 0 122 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.446 81.6 131.9 -91.3 -5.9 14.2 -21.5 -26.8 162 179 A K X - 0 0 22 -3,-1.2 3,-1.9 -4,-0.4 -3,-0.1 -0.297 67.9-106.6 -50.9 121.9 13.9 -19.0 -29.6 163 180 A P T 3 S+ 0 0 118 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.271 103.8 6.2 -46.1 123.1 16.3 -19.7 -32.6 164 181 A G T 3 S- 0 0 75 1,-0.2 -2,-0.1 -3,-0.1 -3,-0.1 0.773 85.7-177.3 68.9 25.0 19.1 -17.1 -32.6 165 182 A L < - 0 0 46 -3,-1.9 -1,-0.2 1,-0.1 3,-0.1 -0.318 9.3-171.1 -47.3 132.1 18.0 -15.6 -29.3 166 183 A K + 0 0 122 1,-0.3 2,-0.4 0, 0.0 -1,-0.1 0.849 65.9 19.8 -98.7 -44.5 20.3 -12.6 -28.5 167 184 A Y - 0 0 58 -22,-0.0 -1,-0.3 -160,-0.0 -32,-0.1 -0.998 69.8-137.8-128.9 128.3 19.5 -11.6 -24.9 168 185 A K - 0 0 84 -2,-0.4 -22,-0.3 -3,-0.1 2,-0.1 -0.539 42.5 -94.8 -67.0 146.7 17.7 -13.7 -22.3 169 186 A P - 0 0 0 0, 0.0 -22,-0.3 0, 0.0 -1,-0.1 -0.430 29.4-143.9 -54.6 140.0 15.1 -11.8 -20.3 170 187 A V S S+ 0 0 2 -24,-2.5 25,-2.7 1,-0.1 2,-0.3 0.725 74.1 0.2 -79.2 -21.9 16.9 -10.5 -17.2 171 188 A C E - h 0 195B 0 23,-0.2 -23,-2.2 -25,-0.2 2,-0.4 -0.971 52.8-138.1-154.6 168.6 13.7 -11.0 -15.1 172 189 A N E -gh 148 196B 0 23,-2.2 25,-1.9 -2,-0.3 2,-0.6 -0.948 22.7-153.4-134.9 112.6 10.1 -12.1 -14.9 173 190 A Q E +gh 149 197B 4 -25,-2.2 -23,-2.6 -2,-0.4 2,-0.3 -0.800 32.2 156.8 -90.6 122.1 8.0 -9.7 -12.8 174 191 A V E - h 0 198B 1 23,-2.6 25,-2.7 -2,-0.6 2,-0.3 -0.901 51.2 -78.6-144.2 165.0 5.0 -11.7 -11.4 175 192 A E E + h 0 199B 0 -2,-0.3 2,-0.3 23,-0.2 25,-0.2 -0.516 61.5 160.5 -65.0 127.9 2.4 -11.8 -8.7 176 193 A C + 0 0 0 23,-2.2 5,-0.2 -2,-0.3 27,-0.1 -0.877 6.3 121.5-161.9 123.8 4.3 -13.2 -5.7 177 194 A H B > S-K 180 0D 0 3,-1.2 3,-2.3 -2,-0.3 25,-0.1 -0.903 75.0 -68.6-169.9 176.1 3.6 -13.2 -1.8 178 195 A P T 3 S+ 0 0 0 0, 0.0 3,-0.4 0, 0.0 106,-0.1 0.781 131.4 49.1 -61.1 -20.9 3.1 -15.7 1.0 179 196 A Y T 3 S+ 0 0 7 1,-0.3 107,-2.4 104,-0.2 105,-1.8 0.608 128.1 23.5 -90.1 -7.5 -0.3 -16.9 -0.4 180 197 A F B < S+K 177 0D 11 -3,-2.3 -3,-1.2 105,-0.2 -1,-0.3 -0.607 74.7 165.9-152.7 75.0 1.0 -17.3 -3.9 181 198 A N - 0 0 3 -3,-0.4 5,-0.1 -5,-0.2 -2,-0.1 0.589 34.3-142.7 -88.6 -6.1 4.8 -17.8 -3.4 182 199 A R > + 0 0 35 1,-0.1 4,-3.1 -5,-0.1 5,-0.2 0.778 36.4 163.7 57.5 35.0 5.6 -19.2 -7.0 183 200 A S H > S+ 0 0 48 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.854 71.1 43.9 -54.9 -52.7 8.1 -21.7 -5.6 184 201 A K H > S+ 0 0 82 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.895 116.3 46.4 -60.7 -44.2 8.3 -23.9 -8.7 185 202 A L H > S+ 0 0 17 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.874 110.9 54.5 -65.6 -38.7 8.5 -20.9 -11.1 186 203 A L H X S+ 0 0 6 -4,-3.1 4,-2.8 2,-0.2 -2,-0.2 0.915 109.0 47.9 -60.5 -47.6 11.2 -19.3 -8.8 187 204 A D H X S+ 0 0 106 -4,-2.4 4,-2.5 -5,-0.2 -2,-0.2 0.940 111.1 50.7 -57.9 -46.1 13.3 -22.5 -9.0 188 205 A F H X S+ 0 0 10 -4,-2.5 4,-0.7 1,-0.2 -2,-0.2 0.956 111.6 47.1 -56.4 -52.6 12.9 -22.5 -12.8 189 206 A C H ><>S+ 0 0 0 -4,-2.6 5,-2.8 2,-0.2 3,-1.2 0.911 111.1 51.4 -52.4 -48.6 14.0 -18.8 -13.0 190 207 A K H ><5S+ 0 0 109 -4,-2.8 3,-1.9 1,-0.3 -1,-0.2 0.923 104.7 58.1 -55.7 -42.6 17.1 -19.4 -10.6 191 208 A S H 3<5S+ 0 0 81 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.710 113.8 39.2 -61.2 -19.1 18.1 -22.4 -12.9 192 209 A K T <<5S- 0 0 84 -3,-1.2 -1,-0.3 -4,-0.7 -2,-0.2 0.319 112.4-115.1-111.8 7.5 18.2 -19.9 -15.7 193 210 A D T < 5 + 0 0 90 -3,-1.9 2,-0.5 -4,-0.3 -187,-0.4 0.903 69.8 142.3 49.8 46.4 19.8 -16.9 -13.9 194 211 A I < - 0 0 5 -5,-2.8 2,-0.3 -8,-0.1 -23,-0.2 -0.962 50.2-128.5-113.1 127.0 16.6 -15.0 -14.5 195 212 A V E -h 171 0B 10 -25,-2.7 -23,-2.2 -2,-0.5 2,-0.6 -0.603 10.8-141.1 -75.4 133.4 15.5 -12.8 -11.5 196 213 A L E -h 172 0B 2 51,-0.4 53,-2.0 -2,-0.3 2,-0.5 -0.845 15.6-160.5 -91.0 125.8 12.0 -13.2 -10.2 197 214 A V E -hi 173 249B 2 -25,-1.9 -23,-2.6 -2,-0.6 2,-0.5 -0.945 12.2-140.0-106.1 124.3 10.6 -9.7 -9.3 198 215 A A E -hi 174 250B 0 51,-3.3 53,-2.2 -2,-0.5 3,-0.3 -0.743 18.8-175.1 -89.8 123.2 7.6 -9.9 -6.9 199 216 A Y E S+h 175 0B 37 -25,-2.7 -23,-2.2 -2,-0.5 4,-0.1 -0.788 73.4 25.4-105.7 163.6 4.5 -7.6 -7.3 200 217 A S S > S+ 0 0 24 -2,-0.3 3,-1.8 -25,-0.2 -1,-0.2 0.834 75.4 151.0 53.9 35.8 1.6 -7.4 -4.9 201 218 A A T 3 S+ 0 0 1 50,-0.4 -1,-0.1 -3,-0.3 51,-0.1 0.684 70.5 51.3 -72.6 -14.7 4.2 -8.7 -2.4 202 219 A L T 3 S- 0 0 34 -25,-0.1 17,-0.4 49,-0.1 -1,-0.3 0.238 135.9 -86.5-103.4 14.8 2.1 -6.8 0.3 203 220 A G S < S- 0 0 2 -3,-1.8 15,-0.2 -27,-0.1 3,-0.2 0.544 70.2 -86.6 96.4 11.5 -1.1 -8.5 -0.8 204 221 A S - 0 0 22 1,-0.2 14,-0.1 2,-0.1 -29,-0.0 0.146 44.5 -80.8 77.0 165.2 -2.2 -6.0 -3.6 205 222 A Q - 0 0 73 2,-0.0 -1,-0.2 1,-0.0 6,-0.0 0.500 56.5-131.0 -77.9 -0.5 -4.1 -2.8 -3.5 206 223 A R - 0 0 65 1,-0.2 2,-0.3 -3,-0.2 -2,-0.1 0.896 33.4-172.4 52.9 45.0 -7.3 -5.0 -3.4 207 224 A D >> - 0 0 27 1,-0.2 4,-2.7 2,-0.0 3,-1.8 -0.522 25.6-135.2 -74.5 130.0 -8.9 -2.9 -6.2 208 225 A K T 34 S+ 0 0 89 1,-0.3 -1,-0.2 -2,-0.3 -2,-0.0 0.688 98.4 73.4 -64.5 -18.1 -12.5 -4.0 -6.6 209 226 A R T 34 S+ 0 0 113 1,-0.1 -1,-0.3 3,-0.1 3,-0.1 0.790 123.5 1.8 -64.8 -28.7 -12.1 -4.0 -10.4 210 227 A W T <4 S+ 0 0 55 -3,-1.8 80,-2.8 1,-0.2 2,-0.5 0.506 119.6 73.6-133.9 -11.1 -9.9 -7.2 -10.3 211 228 A V S < S- 0 0 5 -4,-2.7 -1,-0.2 78,-0.2 78,-0.1 -0.917 72.5-129.3-116.8 128.1 -9.8 -8.4 -6.7 212 229 A D > - 0 0 79 -2,-0.5 3,-2.4 76,-0.5 -4,-0.1 -0.537 13.8-145.0 -67.0 120.8 -12.5 -10.0 -4.7 213 230 A P T 3 S+ 0 0 97 0, 0.0 -1,-0.2 0, 0.0 -5,-0.0 0.705 98.5 65.5 -65.2 -17.8 -12.9 -8.0 -1.3 214 231 A N T 3 S+ 0 0 139 2,-0.1 3,-0.1 3,-0.0 -2,-0.1 0.579 78.2 111.3 -72.3 -11.3 -13.7 -11.4 0.4 215 232 A S S < S- 0 0 16 -3,-2.4 73,-0.0 1,-0.1 -4,-0.0 -0.283 85.8 -89.2 -60.1 148.6 -10.2 -12.6 -0.4 216 233 A P - 0 0 49 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 -0.312 38.0-120.8 -61.2 149.8 -8.0 -13.0 2.7 217 234 A V > - 0 0 50 1,-0.2 3,-1.7 -3,-0.1 4,-0.2 -0.751 19.6-154.3 -93.2 112.5 -6.1 -9.9 3.7 218 235 A L G > S+ 0 0 2 -2,-0.8 3,-2.3 1,-0.3 -1,-0.2 0.915 90.2 56.6 -54.8 -48.6 -2.4 -10.8 3.5 219 236 A L G 3 S+ 0 0 56 -17,-0.4 -1,-0.3 1,-0.3 17,-0.1 0.616 104.6 53.9 -69.7 -0.1 -1.2 -8.2 6.0 220 237 A E G < S+ 0 0 141 -3,-1.7 -1,-0.3 15,-0.1 -2,-0.2 0.252 76.4 136.4-105.3 7.9 -3.7 -9.6 8.7 221 238 A D <> - 0 0 7 -3,-2.3 4,-2.7 -4,-0.2 5,-0.2 -0.353 56.0-139.1 -56.6 133.5 -2.3 -13.1 8.3 222 239 A P H > S+ 0 0 99 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.833 102.2 50.4 -68.8 -29.2 -1.9 -14.5 11.9 223 240 A V H > S+ 0 0 50 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.945 112.8 46.2 -71.6 -45.1 1.5 -16.1 11.0 224 241 A L H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.907 113.4 50.5 -58.9 -40.7 2.8 -12.9 9.6 225 242 A C H X S+ 0 0 49 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.924 109.5 50.3 -63.7 -41.5 1.4 -11.0 12.7 226 243 A A H X S+ 0 0 62 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.877 112.1 46.6 -66.1 -39.3 3.1 -13.5 15.0 227 244 A L H X S+ 0 0 14 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.903 110.5 53.2 -67.5 -36.2 6.5 -13.1 13.2 228 245 A A H X>S+ 0 0 7 -4,-2.4 5,-2.4 -5,-0.2 4,-1.0 0.902 110.8 47.9 -63.8 -40.4 6.1 -9.2 13.2 229 246 A K H <5S+ 0 0 68 -4,-2.2 -1,-0.2 3,-0.2 -2,-0.2 0.909 112.2 49.1 -64.2 -43.1 5.5 -9.4 17.0 230 247 A K H <5S+ 0 0 118 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.908 120.9 35.0 -64.1 -43.1 8.6 -11.7 17.5 231 248 A H H <5S- 0 0 43 -4,-2.8 -1,-0.2 -5,-0.1 -2,-0.2 0.551 105.2-127.0 -86.5 -7.0 10.8 -9.5 15.4 232 249 A K T <5S+ 0 0 181 -4,-1.0 -3,-0.2 -5,-0.2 2,-0.2 0.931 76.6 107.1 54.4 51.5 9.1 -6.3 16.6 233 250 A R S - 0 0 37 -2,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.909 30.5-105.5-134.4 158.5 5.3 -5.1 11.0 235 252 A P H > S+ 0 0 34 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.899 120.9 55.1 -50.1 -42.1 3.6 -7.7 8.9 236 253 A A H > S+ 0 0 11 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.936 107.2 49.9 -57.9 -49.3 4.6 -5.7 5.7 237 254 A L H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.873 109.6 50.8 -56.6 -38.3 8.3 -5.9 6.7 238 255 A I H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.945 110.1 49.7 -63.8 -48.0 8.0 -9.6 7.3 239 256 A A H X S+ 0 0 0 -4,-2.5 4,-1.2 1,-0.2 -2,-0.2 0.868 114.4 45.1 -59.2 -39.0 6.4 -10.1 3.8 240 257 A L H X S+ 0 0 0 -4,-2.3 4,-1.9 -5,-0.2 -1,-0.2 0.913 112.5 49.2 -70.8 -44.0 9.2 -8.1 2.1 241 258 A R H X S+ 0 0 40 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.869 103.8 62.4 -63.8 -36.8 12.1 -9.7 4.0 242 259 A Y H X S+ 0 0 0 -4,-2.4 4,-1.2 -5,-0.2 -1,-0.2 0.949 105.6 45.5 -52.6 -47.0 10.7 -13.1 3.1 243 260 A Q H ><>S+ 0 0 0 -4,-1.2 5,-2.4 1,-0.2 3,-0.9 0.951 109.7 53.2 -67.0 -46.3 11.2 -12.3 -0.6 244 261 A L H ><5S+ 0 0 28 -4,-1.9 3,-1.8 1,-0.3 -1,-0.2 0.919 108.8 50.6 -54.0 -41.2 14.7 -10.9 -0.2 245 262 A Q H 3<5S+ 0 0 66 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.721 106.7 55.1 -74.9 -19.6 15.8 -14.2 1.7 246 263 A R T <<5S- 0 0 21 -4,-1.2 -1,-0.3 -3,-0.9 -2,-0.2 0.390 121.7-107.7 -84.2 -1.4 14.4 -16.3 -1.2 247 264 A G T < 5S+ 0 0 52 -3,-1.8 -51,-0.4 -4,-0.3 2,-0.4 0.790 76.0 139.9 77.6 25.1 16.5 -14.4 -3.7 248 265 A V < - 0 0 3 -5,-2.4 2,-0.4 -6,-0.2 -1,-0.3 -0.887 54.4-131.9-103.3 130.6 13.4 -12.5 -5.1 249 266 A V E - i 0 197B 3 -53,-2.0 -51,-3.3 -2,-0.4 2,-0.4 -0.704 33.4-151.2 -73.1 129.6 13.6 -8.8 -6.0 250 267 A V E -bi 14 198B 0 -237,-2.6 -235,-3.0 -2,-0.4 2,-0.3 -0.916 13.9-156.2-120.2 134.4 10.6 -7.2 -4.2 251 268 A L E -b 15 0B 11 -53,-2.2 -50,-0.4 -2,-0.4 2,-0.3 -0.730 8.2-169.6 -92.6 152.7 8.4 -4.2 -5.1 252 269 A A E -b 16 0B 3 -237,-1.8 -235,-2.0 -2,-0.3 2,-0.4 -0.916 6.4-157.0-143.9 117.4 6.5 -2.3 -2.5 253 270 A K E +b 17 0B 75 -2,-0.3 2,-0.3 -237,-0.2 -235,-0.1 -0.794 23.9 155.6 -89.1 135.2 3.9 0.4 -3.4 254 271 A S - 0 0 8 -237,-0.6 -218,-0.1 -2,-0.4 -2,-0.1 -0.891 28.4-174.9-151.5 133.6 3.0 2.9 -0.8 255 272 A Y + 0 0 44 -2,-0.3 2,-0.5 5,-0.0 -222,-0.0 0.080 66.4 98.0-104.3 21.6 1.6 6.4 -1.3 256 273 A N > - 0 0 55 1,-0.1 4,-2.8 -224,-0.1 5,-0.2 -0.940 69.4-144.2-112.3 125.8 2.0 7.0 2.5 257 274 A E H > S+ 0 0 97 -2,-0.5 4,-1.8 1,-0.2 5,-0.2 0.870 100.1 47.1 -55.9 -45.6 5.0 8.9 3.9 258 275 A Q H > S+ 0 0 71 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.944 115.7 45.2 -62.6 -45.4 5.4 6.8 7.1 259 276 A R H > S+ 0 0 140 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.874 108.5 56.3 -69.8 -34.6 5.0 3.5 5.2 260 277 A I H X S+ 0 0 0 -4,-2.8 4,-0.7 2,-0.2 -1,-0.2 0.954 112.6 42.2 -57.8 -48.1 7.4 4.5 2.5 261 278 A R H >< S+ 0 0 109 -4,-1.8 3,-0.6 -5,-0.2 4,-0.3 0.887 112.6 55.2 -67.5 -38.4 10.1 5.2 5.1 262 279 A Q H >< S+ 0 0 48 -4,-2.5 3,-1.9 1,-0.2 -1,-0.2 0.882 97.4 64.0 -56.1 -40.3 9.1 2.0 7.0 263 280 A N H >< S+ 0 0 4 -4,-2.4 3,-1.6 1,-0.3 -1,-0.2 0.788 91.2 61.6 -67.1 -25.3 9.6 -0.2 4.0 264 281 A V G X< S+ 0 0 29 -4,-0.7 3,-1.4 -3,-0.6 -1,-0.3 0.646 82.9 81.8 -76.8 -7.9 13.3 0.4 3.6 265 282 A Q G X + 0 0 63 -3,-1.9 3,-2.6 -4,-0.3 -1,-0.3 0.602 63.1 95.6 -65.8 -7.8 13.8 -1.1 7.1 266 283 A V G X S+ 0 0 0 -3,-1.6 3,-0.7 1,-0.3 -1,-0.3 0.808 81.4 54.4 -52.8 -27.7 13.6 -4.5 5.2 267 284 A F G < S+ 0 0 92 -3,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.561 93.1 73.1 -81.2 -7.9 17.4 -4.3 5.3 268 285 A E G < S+ 0 0 125 -3,-2.6 2,-0.3 -4,-0.1 -1,-0.2 0.405 101.8 20.4 -95.4 1.0 17.7 -3.9 9.0 269 286 A F < - 0 0 24 -3,-0.7 2,-0.3 -4,-0.3 -38,-0.0 -0.967 64.9-139.4-155.1 171.9 16.8 -7.4 10.3 270 287 A Q - 0 0 139 -2,-0.3 2,-0.3 -39,-0.0 -28,-0.1 -0.958 12.6-125.7-139.9 158.9 16.6 -11.1 9.1 271 288 A L - 0 0 6 -2,-0.3 2,-0.1 -30,-0.1 -44,-0.0 -0.757 25.5-126.8-100.0 149.3 14.4 -14.1 9.5 272 289 A T > - 0 0 61 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.354 32.3 -99.6 -86.2 171.1 15.6 -17.5 10.7 273 290 A A H > S+ 0 0 80 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.868 125.5 52.5 -56.4 -40.1 15.1 -20.8 8.8 274 291 A E H > S+ 0 0 143 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.920 108.5 49.8 -67.5 -39.4 12.1 -21.6 11.0 275 292 A D H > S+ 0 0 4 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.928 111.3 49.3 -56.9 -46.7 10.5 -18.3 10.3 276 293 A M H X S+ 0 0 25 -4,-2.4 4,-3.0 1,-0.2 -2,-0.2 0.908 110.0 50.7 -65.0 -41.6 11.0 -18.9 6.5 277 294 A K H X S+ 0 0 168 -4,-2.5 4,-1.4 2,-0.2 -1,-0.2 0.888 108.1 53.4 -59.3 -41.9 9.4 -22.3 6.7 278 295 A A H < S+ 0 0 44 -4,-2.0 3,-0.2 2,-0.2 -2,-0.2 0.927 113.1 42.9 -61.7 -43.5 6.4 -20.8 8.6 279 296 A I H >< S+ 0 0 0 -4,-2.3 3,-2.1 1,-0.2 4,-0.3 0.919 109.7 56.2 -67.1 -47.0 5.9 -18.3 5.8 280 297 A D H >< S+ 0 0 70 -4,-3.0 3,-1.0 1,-0.3 -1,-0.2 0.807 99.8 62.4 -49.2 -31.1 6.5 -20.9 3.1 281 298 A G T 3< S+ 0 0 65 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.527 88.9 70.2 -79.8 -4.1 3.6 -22.9 4.7 282 299 A L T < + 0 0 12 -3,-2.1 -1,-0.2 -4,-0.2 -2,-0.2 0.563 68.0 125.9 -83.9 -10.3 1.1 -20.1 4.0 283 300 A D < + 0 0 71 -3,-1.0 -104,-0.2 -4,-0.3 -103,-0.2 -0.258 23.2 160.7 -58.6 130.7 1.2 -20.8 0.2 284 301 A R - 0 0 118 -105,-1.8 -104,-0.2 2,-0.1 -1,-0.1 0.146 57.4-107.5-142.0 24.8 -2.3 -21.4 -1.1 285 302 A N + 0 0 121 1,-0.2 2,-0.7 -106,-0.0 -105,-0.2 0.847 67.3 153.7 59.0 38.4 -2.2 -20.8 -4.9 286 303 A L - 0 0 39 -107,-2.4 2,-0.6 -71,-0.0 -1,-0.2 -0.861 26.5-175.2-108.6 106.4 -4.1 -17.5 -4.4 287 304 A H - 0 0 39 -2,-0.7 15,-0.0 1,-0.1 -107,-0.0 -0.875 16.5-152.2 -95.5 123.7 -3.6 -14.8 -7.0 288 305 A Y S S+ 0 0 5 -2,-0.6 2,-0.7 -88,-0.1 -76,-0.5 0.885 82.1 77.0 -60.5 -40.8 -5.4 -11.6 -6.0 289 306 A F + 0 0 47 -78,-0.1 2,-0.3 -3,-0.1 -78,-0.2 -0.637 59.2 153.2 -74.2 109.8 -6.0 -10.4 -9.6 290 307 A N + 0 0 100 -80,-2.8 2,-0.4 -2,-0.7 -78,-0.1 -0.742 13.3 146.0-144.8 83.1 -8.8 -12.7 -10.5 291 308 A S >> - 0 0 21 -2,-0.3 4,-2.5 1,-0.1 3,-2.2 -0.981 57.0-129.4-132.1 141.1 -10.9 -11.2 -13.2 292 309 A D H 3> S+ 0 0 145 -2,-0.4 4,-1.7 1,-0.3 5,-0.2 0.879 107.7 71.0 -48.6 -40.3 -13.0 -12.5 -16.3 293 310 A S H 34 S+ 0 0 67 1,-0.2 -1,-0.3 2,-0.2 -83,-0.0 0.716 114.4 21.6 -55.5 -19.4 -11.0 -9.8 -18.2 294 311 A F H X4 S+ 0 0 56 -3,-2.2 3,-2.6 2,-0.1 -2,-0.2 0.794 115.4 66.1-105.3 -42.9 -7.8 -11.9 -18.0 295 312 A A H 3< S+ 0 0 45 -4,-2.5 -2,-0.2 1,-0.3 -3,-0.2 0.642 99.5 50.3 -63.0 -22.0 -9.1 -15.3 -17.3 296 313 A S T 3< S+ 0 0 76 -4,-1.7 -1,-0.3 -5,-0.2 -3,-0.1 0.507 84.4 113.8 -95.5 -2.1 -10.8 -15.8 -20.7 297 314 A H S X S- 0 0 11 -3,-2.6 3,-2.2 -5,-0.2 -3,-0.0 -0.465 71.4-130.6 -75.7 137.3 -7.6 -14.7 -22.7 298 315 A P T 3 S+ 0 0 86 0, 0.0 -1,-0.1 0, 0.0 -183,-0.1 0.807 110.6 41.4 -54.1 -29.9 -6.0 -17.5 -24.8 299 316 A N T 3 S+ 0 0 67 -183,-0.1 -2,-0.1 -5,-0.1 -4,-0.1 0.134 77.8 151.5-108.4 19.6 -2.6 -16.6 -23.3 300 317 A Y X - 0 0 20 -3,-2.2 3,-1.5 -6,-0.2 4,-0.2 -0.301 43.6-140.8 -40.5 120.4 -3.8 -16.1 -19.7 301 318 A P G > S+ 0 0 8 0, 0.0 3,-0.7 0, 0.0 -1,-0.2 0.750 94.7 57.7 -70.4 -20.1 -0.8 -17.0 -17.6 302 319 A Y G 3 + 0 0 35 1,-0.2 -2,-0.1 -150,-0.1 -7,-0.0 0.324 66.9 102.8 -94.4 12.6 -2.6 -18.8 -14.9 303 320 A S G < 0 0 90 -3,-1.5 -1,-0.2 1,-0.2 -3,-0.0 0.663 360.0 360.0 -70.9 -12.3 -4.3 -21.4 -17.3 304 321 A D < 0 0 164 -3,-0.7 -1,-0.2 -4,-0.2 -151,-0.1 -0.446 360.0 360.0 89.8 360.0 -1.5 -23.1 -15.6