==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 01-DEC-11 3UWE . COMPND 2 MOLECULE: ALDO-KETO REDUCTASE FAMILY 1 MEMBER C3; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR V.J.JACKSON,Y.YOSAATMADJA,J.U.FLANAGAN,C.J.SQUIRE . 312 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13526.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 213 68.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 37 11.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 3.2 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 . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 21 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 89 28.5 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 . 3 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 0 158 0, 0.0 12,-2.6 0, 0.0 13,-0.4 0.000 360.0 360.0 360.0 24.1 21.7 3.9 2.4 2 7 A C E -A 12 0A 75 10,-0.3 2,-0.4 11,-0.1 8,-0.0 -0.842 360.0-146.1-125.7 154.6 22.0 5.0 6.1 3 8 A V E -A 11 0A 49 8,-2.4 8,-2.6 -2,-0.3 2,-0.5 -0.977 24.5-122.2-116.9 143.7 21.7 8.2 8.1 4 9 A K E -A 10 0A 131 -2,-0.4 6,-0.3 6,-0.2 2,-0.1 -0.713 28.2-140.6 -88.6 122.2 23.7 8.8 11.2 5 10 A L > - 0 0 5 4,-3.6 3,-2.1 -2,-0.5 199,-0.1 -0.373 25.9-104.0 -75.5 163.8 21.5 9.5 14.3 6 11 A N T 3 S+ 0 0 42 197,-0.4 172,-0.1 1,-0.3 -1,-0.1 0.524 121.8 52.8 -68.0 -6.2 22.3 12.0 16.9 7 12 A D T 3 S- 0 0 44 2,-0.2 -1,-0.3 170,-0.1 3,-0.1 0.224 122.3-103.9-107.7 8.7 23.4 9.2 19.4 8 13 A G S < S+ 0 0 33 -3,-2.1 -2,-0.1 1,-0.4 2,-0.1 0.230 83.5 120.2 90.4 -10.3 25.8 7.7 16.8 9 14 A H - 0 0 69 145,-0.1 -4,-3.6 -5,-0.1 -1,-0.4 -0.413 60.0-122.8 -77.9 165.4 23.8 4.8 15.7 10 15 A F E -A 4 0A 121 -6,-0.3 -6,-0.2 -3,-0.1 -1,-0.0 -0.874 17.8-161.4-114.5 142.5 22.8 4.5 12.0 11 16 A M E -A 3 0A 0 -8,-2.6 -8,-2.4 -2,-0.4 32,-0.1 -0.988 25.5-119.0-127.2 126.2 19.3 4.2 10.6 12 17 A P E -A 2 0A 17 0, 0.0 -10,-0.3 0, 0.0 29,-0.0 -0.410 22.4-134.1 -65.1 140.8 18.6 2.9 7.0 13 18 A V S S+ 0 0 27 -12,-2.6 247,-2.7 246,-0.1 2,-0.5 0.660 89.5 56.2 -85.0 -8.0 16.8 5.6 5.0 14 19 A L E S-b 260 0B 7 -13,-0.4 28,-0.6 245,-0.2 29,-0.6 -0.975 72.7-173.3-121.3 124.6 14.1 3.4 3.6 15 20 A G E -bc 261 43B 0 245,-2.8 247,-1.6 -2,-0.5 2,-0.5 -0.838 24.0-121.0-119.3 154.1 11.9 1.4 6.0 16 21 A F E -bc 262 44B 1 27,-2.9 29,-3.2 -2,-0.3 2,-0.5 -0.835 22.3-141.6 -93.7 119.4 9.3 -1.3 5.6 17 22 A G E -bc 263 45B 9 245,-2.1 247,-0.5 -2,-0.5 29,-0.1 -0.762 18.0-176.2 -82.6 130.6 5.9 -0.4 7.1 18 23 A T + 0 0 0 27,-1.6 2,-0.2 -2,-0.5 -1,-0.1 0.490 38.2 118.5-106.4 -4.2 4.3 -3.5 8.7 19 24 A Y + 0 0 44 26,-0.2 32,-0.1 27,-0.1 -2,-0.1 -0.428 31.2 165.6 -72.1 135.8 0.8 -2.3 9.8 20 25 A A - 0 0 2 30,-0.3 9,-0.0 -2,-0.2 -2,-0.0 -0.985 40.0-101.5-139.6 149.1 -2.1 -4.1 8.2 21 26 A P > - 0 0 14 0, 0.0 3,-2.2 0, 0.0 29,-0.0 -0.267 39.3-100.9 -66.7 158.4 -5.8 -4.0 9.4 22 27 A P T 3 S+ 0 0 87 0, 0.0 4,-0.1 0, 0.0 28,-0.0 0.770 117.0 71.4 -50.4 -25.6 -7.2 -6.9 11.4 23 28 A E T 3 S+ 0 0 146 2,-0.1 0, 0.0 0, 0.0 0, 0.0 0.792 84.0 79.9 -67.9 -17.7 -9.0 -8.3 8.2 24 29 A V S < S- 0 0 36 -3,-2.2 5,-0.1 1,-0.0 -4,-0.1 -0.767 96.8-111.2 -82.2 124.5 -5.5 -9.3 6.9 25 30 A P > - 0 0 81 0, 0.0 3,-2.2 0, 0.0 4,-0.5 -0.299 20.6-121.9 -53.5 134.6 -4.4 -12.7 8.6 26 31 A R T >> S+ 0 0 62 1,-0.3 3,-0.9 2,-0.2 4,-0.9 0.790 109.2 68.1 -42.0 -40.5 -1.4 -12.3 11.1 27 32 A S H 3> S+ 0 0 79 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.740 85.7 69.0 -59.5 -22.2 0.5 -14.8 9.0 28 33 A K H <> S+ 0 0 75 -3,-2.2 4,-2.8 1,-0.2 5,-0.3 0.915 93.1 58.1 -65.2 -34.9 0.7 -12.3 6.2 29 34 A A H <> S+ 0 0 2 -3,-0.9 4,-2.0 -4,-0.5 5,-0.2 0.887 105.6 50.2 -61.4 -37.6 3.1 -10.1 8.3 30 35 A L H X S+ 0 0 39 -4,-0.9 4,-1.8 2,-0.2 -1,-0.2 0.953 114.1 43.3 -62.4 -46.5 5.5 -12.9 8.6 31 36 A E H X S+ 0 0 83 -4,-1.6 4,-1.9 1,-0.2 -2,-0.2 0.899 116.4 45.2 -67.4 -43.7 5.6 -13.6 4.8 32 37 A V H X S+ 0 0 2 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.836 109.2 54.8 -78.4 -29.2 5.8 -10.0 3.7 33 38 A T H X S+ 0 0 0 -4,-2.0 4,-2.2 -5,-0.3 -1,-0.2 0.898 109.5 48.8 -69.9 -38.4 8.5 -9.0 6.2 34 39 A K H X S+ 0 0 64 -4,-1.8 4,-2.3 -5,-0.2 -2,-0.2 0.933 111.6 49.3 -58.9 -45.2 10.6 -11.9 4.8 35 40 A L H X S+ 0 0 25 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.890 108.8 53.4 -62.2 -38.7 9.9 -10.7 1.3 36 41 A A H X>S+ 0 0 0 -4,-2.7 5,-2.2 1,-0.2 4,-1.0 0.917 109.9 46.6 -61.4 -43.6 10.9 -7.2 2.3 37 42 A I H <5S+ 0 0 2 -4,-2.2 3,-0.5 1,-0.2 -1,-0.2 0.906 111.6 52.0 -63.5 -40.3 14.2 -8.3 3.7 38 43 A E H <5S+ 0 0 111 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.879 108.0 52.9 -61.9 -37.4 14.8 -10.4 0.5 39 44 A A H <5S- 0 0 26 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.727 129.7 -95.2 -73.3 -21.5 14.1 -7.3 -1.6 40 45 A G T <5S+ 0 0 33 -4,-1.0 -3,-0.2 -3,-0.5 2,-0.1 0.350 73.6 143.3 121.3 -0.7 16.7 -5.3 0.4 41 46 A F < + 0 0 3 -5,-2.2 -1,-0.4 -6,-0.2 -26,-0.1 -0.482 16.4 172.7 -63.0 141.0 14.8 -3.5 3.1 42 47 A R + 0 0 81 -28,-0.6 33,-3.4 -2,-0.1 2,-0.5 0.314 59.6 72.8-130.0 -3.0 16.9 -3.3 6.3 43 48 A H E -cd 15 75B 1 -29,-0.6 -27,-2.9 31,-0.2 2,-0.5 -0.982 64.1-169.5-117.6 126.6 14.7 -1.1 8.5 44 49 A I E -cd 16 76B 0 31,-3.5 33,-2.6 -2,-0.5 2,-0.6 -0.971 7.5-153.2-123.0 121.5 11.6 -2.7 9.7 45 50 A D E +cd 17 77B 4 -29,-3.2 -27,-1.6 -2,-0.5 2,-0.2 -0.855 29.9 144.0-105.3 112.3 8.8 -0.6 11.4 46 51 A S - 0 0 0 31,-2.2 2,-0.3 -2,-0.6 3,-0.1 -0.604 20.2-171.4-128.6-168.3 6.4 -2.3 13.9 47 52 A A > > - 0 0 0 31,-0.2 3,-1.1 -2,-0.2 5,-0.5 -0.917 42.2-103.8-179.1 155.5 4.6 -1.4 17.2 48 53 A H G > 5S+ 0 0 39 31,-1.6 3,-1.7 -2,-0.3 5,-0.1 0.900 118.3 62.7 -55.5 -42.9 2.6 -2.9 20.0 49 54 A L G 3 5S+ 0 0 50 1,-0.3 -1,-0.2 30,-0.3 31,-0.0 0.808 93.1 64.0 -51.9 -30.6 -0.5 -1.4 18.3 50 55 A Y G < 5S- 0 0 25 -3,-1.1 -30,-0.3 1,-0.1 -1,-0.3 0.653 89.8-144.0 -81.1 -12.7 -0.0 -3.5 15.2 51 56 A N T < 5S+ 0 0 102 -3,-1.7 -3,-0.1 -4,-0.4 -2,-0.1 0.879 77.3 95.6 53.9 39.0 -0.5 -6.9 17.0 52 57 A N >< + 0 0 1 -5,-0.5 4,-3.1 2,-0.1 5,-0.3 0.343 35.1 111.6-138.7 13.0 2.2 -8.3 14.7 53 58 A E H > S+ 0 0 2 1,-0.2 4,-2.7 -6,-0.2 5,-0.3 0.827 79.2 55.0 -63.8 -30.0 5.4 -8.2 16.6 54 59 A E H > S+ 0 0 124 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.936 113.7 40.2 -66.1 -44.1 5.6 -12.0 16.9 55 60 A Q H > S+ 0 0 42 -3,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.898 118.2 46.8 -72.9 -43.0 5.3 -12.5 13.1 56 61 A V H X S+ 0 0 0 -4,-3.1 4,-2.1 2,-0.2 -2,-0.2 0.936 113.9 47.3 -65.8 -43.9 7.6 -9.6 12.3 57 62 A G H X S+ 0 0 0 -4,-2.7 4,-2.6 -5,-0.3 -2,-0.2 0.905 111.5 52.1 -64.3 -33.5 10.2 -10.7 14.8 58 63 A L H X S+ 0 0 69 -4,-2.1 4,-2.8 -5,-0.3 -2,-0.2 0.913 106.7 53.4 -67.6 -40.8 10.0 -14.2 13.5 59 64 A A H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.909 111.4 46.2 -57.2 -40.9 10.5 -13.0 9.9 60 65 A I H X S+ 0 0 0 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.943 114.5 46.2 -70.1 -43.8 13.7 -11.2 11.1 61 66 A R H X S+ 0 0 83 -4,-2.6 4,-2.9 1,-0.2 -1,-0.2 0.857 110.8 54.1 -66.8 -34.4 15.0 -14.2 13.1 62 67 A S H X S+ 0 0 36 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.905 108.7 47.5 -65.9 -42.6 14.2 -16.5 10.1 63 68 A K H <>S+ 0 0 9 -4,-1.9 6,-1.7 2,-0.2 5,-1.0 0.749 113.5 49.1 -70.7 -22.8 16.3 -14.3 7.8 64 69 A I H ><5S+ 0 0 55 -4,-1.5 3,-1.7 4,-0.2 -2,-0.2 0.945 111.4 50.2 -76.8 -45.4 19.1 -14.3 10.4 65 70 A A H 3<5S+ 0 0 88 -4,-2.9 -2,-0.2 1,-0.3 -3,-0.2 0.813 108.1 51.9 -62.4 -36.0 18.8 -18.1 10.7 66 71 A D T 3<5S- 0 0 86 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.1 0.369 116.4-111.2 -85.2 9.4 18.9 -18.7 6.9 67 72 A G T < 5S+ 0 0 64 -3,-1.7 -3,-0.2 2,-0.3 -2,-0.1 0.396 84.7 116.9 79.3 1.2 22.1 -16.6 6.5 68 73 A S S - 0 0 96 -2,-0.3 3,-2.2 1,-0.1 4,-0.4 -0.778 36.7-108.7-101.7 157.9 23.0 -10.7 10.7 71 76 A R G > S+ 0 0 38 -2,-0.3 3,-1.9 1,-0.3 -1,-0.1 0.890 120.4 58.6 -49.4 -44.4 21.0 -9.0 13.6 72 77 A E G 3 S+ 0 0 94 1,-0.3 -1,-0.3 3,-0.1 -3,-0.0 0.626 98.4 59.6 -66.0 -12.7 23.4 -6.0 13.3 73 78 A D G < S+ 0 0 78 -3,-2.2 2,-0.4 2,-0.0 -1,-0.3 0.532 95.6 77.8 -89.3 -11.4 22.3 -5.5 9.6 74 79 A I < - 0 0 2 -3,-1.9 2,-0.6 -4,-0.4 -31,-0.2 -0.826 63.6-156.9-106.2 135.0 18.6 -5.0 10.6 75 80 A F E -d 43 0B 7 -33,-3.4 -31,-3.5 -2,-0.4 2,-0.5 -0.967 18.9-172.7-111.7 110.9 17.1 -1.9 12.1 76 81 A Y E -d 44 0B 0 -2,-0.6 31,-2.0 -33,-0.2 32,-1.7 -0.929 2.5-167.0-109.1 128.2 13.9 -2.9 14.0 77 82 A T E +de 45 108B 0 -33,-2.6 -31,-2.2 -2,-0.5 2,-0.3 -0.898 9.2 173.9-114.8 134.5 11.6 -0.3 15.5 78 83 A S E - e 0 109B 0 30,-2.5 32,-1.8 -2,-0.4 2,-0.4 -0.801 18.4-137.7-127.2 178.1 8.8 -0.7 18.0 79 84 A K E - e 0 110B 0 -2,-0.3 -31,-1.6 30,-0.2 2,-0.6 -1.000 14.1-120.7-142.5 139.1 6.6 1.8 19.7 80 85 A L E - e 0 111B 0 30,-3.4 32,-2.0 -2,-0.4 33,-0.4 -0.665 37.5-129.7 -72.7 120.2 5.1 2.4 23.2 81 86 A W > - 0 0 28 -2,-0.6 3,-2.0 30,-0.1 36,-0.0 -0.344 19.6-110.9 -76.2 163.0 1.4 2.5 22.9 82 87 A S G > S+ 0 0 2 1,-0.3 35,-2.3 2,-0.2 3,-0.6 0.538 113.2 65.2 -77.3 -14.1 -0.5 5.5 24.5 83 88 A T G 3 S+ 0 0 13 1,-0.2 -1,-0.3 33,-0.2 3,-0.2 0.481 101.2 56.0 -79.8 -4.1 -2.2 3.4 27.3 84 89 A F G < + 0 0 58 -3,-2.0 -1,-0.2 1,-0.1 -2,-0.2 0.009 67.7 111.7-117.8 26.7 1.4 2.9 28.6 85 90 A H < + 0 0 1 -3,-0.6 -1,-0.1 32,-0.3 5,-0.1 0.805 44.8 103.6 -65.3 -32.4 2.6 6.5 29.0 86 91 A R S >> S- 0 0 64 -3,-0.2 3,-2.4 1,-0.2 4,-0.5 -0.335 83.4-125.4 -58.4 129.8 2.7 6.3 32.8 87 92 A P H >> S+ 0 0 44 0, 0.0 3,-0.9 0, 0.0 4,-0.6 0.783 106.7 59.0 -60.6 -31.4 6.5 6.0 33.4 88 93 A E H 34 S+ 0 0 127 1,-0.2 -2,-0.1 2,-0.1 -3,-0.1 0.695 105.1 53.4 -68.2 -18.1 6.3 2.8 35.5 89 94 A L H <> S+ 0 0 49 -3,-2.4 4,-1.8 1,-0.1 -1,-0.2 0.634 90.1 78.8 -89.0 -10.1 4.6 1.1 32.5 90 95 A V H S+ 0 0 57 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.893 110.7 52.0 -62.0 -36.8 7.6 -3.5 31.0 93 98 A A H X S+ 0 0 12 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.907 112.0 45.8 -64.3 -41.0 5.8 -2.5 27.7 94 99 A L H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.917 111.7 51.1 -67.2 -41.1 9.2 -2.6 25.9 95 100 A E H X S+ 0 0 71 -4,-3.0 4,-2.8 1,-0.2 -2,-0.2 0.886 108.8 52.2 -66.9 -31.6 10.1 -5.9 27.5 96 101 A N H X S+ 0 0 100 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.905 108.8 50.2 -68.4 -38.9 6.8 -7.3 26.4 97 102 A S H X S+ 0 0 3 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.900 111.7 48.6 -62.7 -39.5 7.5 -6.1 22.8 98 103 A L H X>S+ 0 0 10 -4,-2.4 5,-1.7 2,-0.2 4,-1.6 0.935 110.4 49.9 -69.2 -42.5 10.9 -7.8 22.9 99 104 A K H <5S+ 0 0 76 -4,-2.8 -2,-0.2 2,-0.2 -1,-0.2 0.903 110.3 51.9 -61.5 -40.2 9.5 -11.0 24.3 100 105 A K H <5S+ 0 0 71 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.952 117.4 37.3 -61.3 -47.8 6.9 -11.0 21.5 101 106 A A H <5S- 0 0 0 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.626 104.0-131.8 -77.7 -12.9 9.5 -10.6 18.8 102 107 A Q T <5 + 0 0 127 -4,-1.6 2,-0.3 1,-0.3 -3,-0.2 0.873 61.8 134.4 60.3 42.0 12.0 -12.8 20.7 103 108 A L < - 0 0 16 -5,-1.7 -1,-0.3 -6,-0.1 -2,-0.1 -0.850 60.3-136.6-117.5 154.1 14.8 -10.2 20.2 104 109 A D S S- 0 0 148 -2,-0.3 2,-0.3 1,-0.2 -6,-0.1 0.677 84.8 -0.8 -83.4 -21.5 17.2 -9.0 22.9 105 110 A Y - 0 0 55 -7,-0.1 2,-0.3 3,-0.0 -1,-0.2 -0.978 64.1-124.8-158.9 154.6 16.8 -5.3 21.9 106 111 A V E - f 0 153B 0 46,-2.6 48,-2.3 -2,-0.3 49,-0.3 -0.834 17.4-138.0 -96.1 153.9 15.1 -3.0 19.5 107 112 A D E S+ 0 0 21 -31,-2.0 48,-1.4 -2,-0.3 2,-0.4 0.830 91.7 15.1 -71.0 -33.6 17.1 -0.6 17.3 108 113 A L E -ef 77 155B 2 -32,-1.7 -30,-2.5 46,-0.2 2,-0.5 -0.991 61.8-169.4-146.8 128.5 14.6 2.1 18.0 109 114 A Y E -ef 78 156B 1 46,-1.9 48,-2.2 -2,-0.4 2,-0.4 -0.992 18.6-169.6-116.6 128.1 11.8 2.5 20.5 110 115 A L E -ef 79 157B 0 -32,-1.8 -30,-3.4 -2,-0.5 2,-0.7 -0.914 34.3-119.2-113.6 150.5 9.3 5.4 20.1 111 116 A I E -ef 80 158B 0 46,-1.9 48,-1.1 -2,-0.4 -30,-0.1 -0.725 35.7-149.9 -68.5 120.9 6.6 7.1 22.0 112 117 A H - 0 0 15 -32,-2.0 -1,-0.2 -2,-0.7 -31,-0.1 0.799 66.9 -7.2 -71.3 -35.3 3.9 6.2 19.4 113 118 A S - 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0 0 19 -2,-0.6 2,-1.0 -49,-0.0 -19,-0.1 -0.994 44.3-120.7-133.2 137.4 0.5 12.3 31.7 136 143 A D >> - 0 0 94 -2,-0.4 3,-1.8 1,-0.2 4,-1.4 -0.622 24.1-160.3 -73.3 105.1 3.6 14.3 32.0 137 144 A L H 3> S+ 0 0 17 -2,-1.0 4,-2.4 1,-0.3 -1,-0.2 0.708 86.7 70.4 -70.7 -15.5 5.4 13.1 28.8 138 145 A C H 3> S+ 0 0 17 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.878 100.4 47.4 -59.9 -36.3 8.7 14.4 30.3 139 146 A T H <> S+ 0 0 41 -3,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.885 110.2 52.3 -69.8 -38.0 8.4 11.5 32.8 140 147 A T H X S+ 0 0 0 -4,-1.4 4,-2.2 2,-0.2 -2,-0.2 0.941 108.5 51.8 -58.8 -44.7 7.6 9.1 30.0 141 148 A W H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.923 105.1 53.4 -63.0 -42.7 10.7 10.3 28.3 142 149 A E H X S+ 0 0 77 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.915 107.6 52.7 -58.5 -38.7 12.9 9.8 31.4 143 150 A A H X S+ 0 0 12 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.884 108.3 51.2 -61.9 -39.0 11.6 6.1 31.4 144 151 A M H X S+ 0 0 0 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.925 106.0 54.0 -60.2 -43.8 12.6 5.8 27.7 145 152 A E H X S+ 0 0 12 -4,-2.4 4,-2.3 1,-0.2 3,-0.2 0.929 105.6 53.0 -60.2 -38.0 16.1 7.1 28.5 146 153 A K H X S+ 0 0 119 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.860 105.6 55.8 -64.9 -34.3 16.5 4.4 31.2 147 154 A C H X>S+ 0 0 0 -4,-1.6 5,-2.0 2,-0.2 6,-1.3 0.869 107.9 46.7 -65.8 -38.3 15.5 1.8 28.6 148 155 A K H ><5S+ 0 0 31 -4,-1.8 3,-1.1 4,-0.2 -2,-0.2 0.943 111.4 51.4 -63.6 -45.2 18.3 3.0 26.3 149 156 A D H 3<5S+ 0 0 82 -4,-2.3 -2,-0.2 1,-0.3 -3,-0.2 0.886 109.5 52.5 -60.3 -33.9 20.8 2.9 29.4 150 157 A A H 3<5S- 0 0 49 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.649 115.2-118.3 -76.4 -20.0 19.6 -0.7 30.0 151 158 A G T <<5S+ 0 0 41 -3,-1.1 -3,-0.2 -4,-0.6 3,-0.1 0.595 81.8 120.9 89.6 12.2 20.4 -1.7 26.4 152 159 A L S - 0 0 12 -2,-0.4 4,-2.4 -3,-0.1 5,-0.2 -0.299 37.2 -91.1 -89.4 178.4 4.4 18.6 16.9 163 170 A R H > S+ 0 0 130 2,-0.2 4,-2.6 1,-0.2 5,-0.1 0.925 126.6 50.2 -58.6 -46.5 7.1 21.3 17.3 164 171 A R H > S+ 0 0 75 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.903 111.4 49.6 -57.4 -44.7 5.9 22.4 20.8 165 172 A Q H > S+ 0 0 8 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.872 110.9 48.2 -65.1 -42.0 5.8 18.8 22.0 166 173 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.857 109.5 54.3 -64.0 -41.4 9.3 18.2 20.7 167 174 A E H X S+ 0 0 59 -4,-2.6 4,-3.1 1,-0.2 -2,-0.2 0.844 100.8 59.8 -60.8 -34.7 10.5 21.4 22.4 168 175 A M H < S+ 0 0 89 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.895 110.6 40.8 -62.7 -40.7 9.1 20.3 25.7 169 176 A I H >< S+ 0 0 2 -4,-1.2 3,-1.7 2,-0.2 -2,-0.2 0.930 114.6 51.1 -72.6 -41.9 11.3 17.3 25.7 170 177 A L H 3< S+ 0 0 31 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.871 113.2 46.9 -62.0 -37.4 14.4 19.2 24.3 171 178 A N T 3< S+ 0 0 126 -4,-3.1 -1,-0.3 -5,-0.2 -2,-0.2 0.235 83.0 134.2 -84.9 11.0 14.0 21.8 27.0 172 179 A K X - 0 0 17 -3,-1.7 3,-2.2 1,-0.1 -3,-0.1 -0.457 68.1-105.5 -70.4 131.2 13.6 19.2 29.8 173 180 A P T 3 S+ 0 0 121 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.338 104.4 1.4 -50.8 123.7 15.7 19.9 33.0 174 181 A G T 3 S- 0 0 75 1,-0.2 -2,-0.1 -3,-0.1 -3,-0.1 0.687 85.1-176.0 63.6 21.9 18.6 17.4 32.9 175 182 A L < - 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0 0 53 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 -0.345 37.8-118.9 -64.9 151.2 -7.9 12.8 -2.7 227 234 A V > - 0 0 48 1,-0.2 3,-1.8 -3,-0.1 4,-0.3 -0.740 19.9-150.4 -95.0 115.9 -5.9 9.6 -3.5 228 235 A L G > S+ 0 0 2 -2,-0.7 3,-2.2 1,-0.3 6,-0.2 0.904 91.6 55.0 -57.2 -42.7 -2.3 10.7 -3.4 229 236 A L G 3 S+ 0 0 58 -17,-0.4 -1,-0.3 1,-0.3 17,-0.1 0.532 102.6 58.8 -75.4 0.8 -1.0 8.1 -5.9 230 237 A E G < S+ 0 0 149 -3,-1.8 -1,-0.3 15,-0.1 -2,-0.2 0.266 76.1 133.7 -97.7 -0.3 -3.5 9.3 -8.5 231 238 A D <> - 0 0 5 -3,-2.2 4,-2.5 -4,-0.3 5,-0.2 -0.361 57.4-138.9 -54.5 134.9 -2.1 12.8 -8.3 232 239 A P H > S+ 0 0 98 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.816 102.2 50.1 -68.9 -30.1 -1.5 14.3 -11.9 233 240 A V H > S+ 0 0 49 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.936 112.3 45.6 -72.2 -46.7 1.9 15.8 -11.0 234 241 A L H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.900 114.4 50.5 -61.2 -39.7 3.1 12.6 -9.5 235 242 A X H X S+ 0 0 87 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.958 110.6 48.7 -57.6 -46.0 1.7 10.8 -12.7 236 243 A A H X S+ 0 0 63 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.913 113.6 47.0 -67.1 -39.0 3.5 13.2 -15.0 237 244 A L H X S+ 0 0 13 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.902 108.8 53.8 -71.5 -33.1 6.8 12.8 -13.1 238 245 A A H X>S+ 0 0 4 -4,-2.4 5,-2.3 -5,-0.2 4,-0.7 0.920 110.8 47.4 -65.0 -41.4 6.4 9.0 -13.0 239 246 A K H <5S+ 0 0 70 -4,-2.5 3,-0.4 3,-0.2 -2,-0.2 0.901 111.0 52.3 -67.4 -40.2 6.0 9.1 -16.9 240 247 A K H <5S+ 0 0 118 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.900 120.5 32.5 -60.0 -45.3 9.1 11.5 -17.2 241 248 A H H <5S- 0 0 43 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.469 105.4-126.0 -86.9 -3.1 11.3 9.1 -15.1 242 249 A K T <5S+ 0 0 186 -4,-0.7 -3,-0.2 -3,-0.4 2,-0.1 0.938 78.5 107.1 44.5 53.0 9.6 5.9 -16.4 243 250 A R S - 0 0 36 -2,-0.1 4,-2.2 1,-0.1 5,-0.2 -0.918 29.4-108.5-138.3 160.2 5.7 5.0 -10.8 245 252 A P H > S+ 0 0 28 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.908 119.7 55.9 -60.2 -36.6 4.0 7.6 -8.8 246 253 A A H > S+ 0 0 11 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.949 107.6 48.3 -58.1 -44.5 4.8 5.7 -5.5 247 254 A L H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.881 109.8 52.0 -66.5 -35.0 8.5 5.8 -6.4 248 255 A I H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.951 110.8 48.7 -60.5 -48.9 8.3 9.5 -7.1 249 256 A A H X S+ 0 0 0 -4,-2.6 4,-1.1 1,-0.2 -2,-0.2 0.875 114.0 45.5 -63.5 -34.5 6.7 10.1 -3.7 250 257 A L H X S+ 0 0 0 -4,-2.7 4,-1.7 -5,-0.2 3,-0.2 0.920 112.6 49.1 -72.8 -41.9 9.4 8.0 -1.9 251 258 A R H X S+ 0 0 42 -4,-2.7 4,-2.4 1,-0.2 5,-0.2 0.879 103.3 62.7 -65.6 -32.4 12.3 9.6 -3.8 252 259 A Y H X S+ 0 0 0 -4,-2.5 4,-1.0 1,-0.2 -1,-0.2 0.915 104.8 47.4 -54.5 -50.1 10.9 13.0 -2.9 253 260 A Q H ><>S+ 0 0 0 -4,-1.1 5,-2.4 -3,-0.2 3,-0.8 0.936 109.2 52.1 -60.8 -46.8 11.4 12.3 0.8 254 261 A L H ><5S+ 0 0 29 -4,-1.7 3,-1.6 1,-0.3 -1,-0.2 0.903 107.9 51.9 -58.8 -42.2 14.9 10.9 0.4 255 262 A Q H 3<5S+ 0 0 68 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.694 106.9 53.5 -70.2 -18.5 16.0 14.1 -1.4 256 263 A R T <<5S- 0 0 21 -4,-1.0 -1,-0.3 -3,-0.8 -2,-0.2 0.381 121.4-107.6 -88.5 2.9 14.6 16.3 1.3 257 264 A G T < 5S+ 0 0 52 -3,-1.6 -51,-0.4 1,-0.3 2,-0.4 0.777 75.9 137.4 74.2 27.2 16.6 14.3 4.0 258 265 A V < - 0 0 2 -5,-2.4 2,-0.4 -6,-0.2 -1,-0.3 -0.886 55.4-130.7-103.1 135.2 13.5 12.6 5.3 259 266 A V E - i 0 207B 3 -53,-2.0 -51,-3.0 -2,-0.4 2,-0.5 -0.716 33.4-147.8 -82.0 136.9 13.8 8.8 6.2 260 267 A V E -bi 14 208B 0 -247,-2.7 -245,-2.8 -2,-0.4 2,-0.2 -0.930 14.1-155.3-121.3 133.2 10.8 7.2 4.5 261 268 A L E -b 15 0B 11 -53,-2.2 2,-0.3 -2,-0.5 -50,-0.3 -0.668 9.2-170.8 -91.2 157.3 8.6 4.2 5.3 262 269 A A E -b 16 0B 2 -247,-1.6 -245,-2.1 -2,-0.2 2,-0.5 -0.914 6.7-157.4-149.8 112.1 6.6 2.3 2.7 263 270 A K E +b 17 0B 75 -2,-0.3 2,-0.3 -247,-0.2 -245,-0.1 -0.856 23.9 155.2 -89.4 136.1 4.0 -0.4 3.6 264 271 A S - 0 0 9 -247,-0.5 -228,-0.1 -2,-0.5 -2,-0.1 -0.937 27.9-176.5-151.4 138.0 3.2 -3.0 1.0 265 272 A Y + 0 0 38 -2,-0.3 2,-0.5 5,-0.0 -232,-0.0 0.131 65.1 98.8-109.3 18.1 1.8 -6.5 1.5 266 273 A N S > S- 0 0 50 1,-0.1 4,-2.8 -234,-0.1 5,-0.3 -0.908 70.2-142.3-109.2 122.1 2.1 -7.1 -2.3 267 274 A E H > S+ 0 0 103 -2,-0.5 4,-1.9 1,-0.2 5,-0.1 0.872 99.9 45.9 -53.5 -44.3 5.1 -9.0 -3.5 268 275 A Q H > S+ 0 0 67 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.921 115.3 47.2 -63.0 -47.3 5.7 -7.0 -6.8 269 276 A R H > S+ 0 0 135 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.877 107.0 56.8 -70.4 -32.0 5.2 -3.6 -5.0 270 277 A I H X S+ 0 0 1 -4,-2.8 4,-0.7 1,-0.2 -1,-0.2 0.948 112.7 41.3 -60.7 -46.0 7.6 -4.6 -2.1 271 278 A R H >< S+ 0 0 83 -4,-1.9 3,-0.7 -5,-0.3 4,-0.3 0.897 111.7 57.1 -69.3 -34.9 10.3 -5.2 -4.7 272 279 A Q H >< S+ 0 0 47 -4,-2.6 3,-2.5 1,-0.2 4,-0.2 0.906 97.2 63.0 -54.3 -43.7 9.3 -2.1 -6.7 273 280 A N H >< S+ 0 0 5 -4,-2.4 3,-1.5 1,-0.3 -1,-0.2 0.774 90.6 62.7 -67.2 -24.5 9.8 0.2 -3.7 274 281 A V G X< S+ 0 0 28 -4,-0.7 3,-1.3 -3,-0.7 -1,-0.3 0.659 83.2 82.9 -75.4 -5.6 13.6 -0.5 -3.3 275 282 A Q G X + 0 0 58 -3,-2.5 3,-2.8 -4,-0.3 4,-0.4 0.632 63.5 93.4 -66.3 -9.5 13.9 1.0 -6.8 276 283 A V G X S+ 0 0 0 -3,-1.5 3,-0.6 1,-0.3 -1,-0.2 0.830 81.2 53.3 -55.5 -25.7 13.9 4.4 -5.0 277 284 A F G < S+ 0 0 63 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.1 0.509 94.7 73.0 -84.1 -3.6 17.7 4.3 -4.9 278 285 A E G < S+ 0 0 121 -3,-2.8 2,-0.3 -4,-0.1 -1,-0.2 0.419 102.1 22.0 -95.4 -6.3 18.0 3.7 -8.7 279 286 A F < - 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0 0 122 -105,-1.9 -104,-0.2 2,-0.1 -1,-0.1 0.113 59.5-103.8-149.3 22.3 -2.2 21.3 0.9 295 302 A N + 0 0 80 1,-0.2 2,-0.8 -106,-0.1 -105,-0.2 0.858 67.4 155.0 58.4 37.6 -2.4 20.8 4.7 296 303 A L - 0 0 28 -107,-2.3 2,-0.6 -71,-0.0 -1,-0.2 -0.819 22.5-178.7-107.4 99.7 -4.0 17.4 4.1 297 304 A H - 0 0 40 -2,-0.8 -107,-0.0 1,-0.2 -111,-0.0 -0.867 16.0-156.0 -93.6 121.0 -3.5 14.9 7.0 298 305 A Y S S+ 0 0 2 -2,-0.6 2,-0.9 -88,-0.1 -76,-0.4 0.883 82.0 75.2 -62.3 -37.6 -5.2 11.6 6.0 299 306 A F + 0 0 53 -78,-0.1 2,-0.3 -3,-0.1 -78,-0.2 -0.691 62.4 151.0 -77.9 109.7 -5.6 10.5 9.7 300 307 A N + 0 0 92 -80,-3.2 2,-0.3 -2,-0.9 -1,-0.1 -0.759 15.4 141.6-148.6 85.4 -8.5 12.9 10.5 301 308 A S >> - 0 0 20 -2,-0.3 4,-2.7 1,-0.1 3,-1.8 -0.973 60.4-124.7-138.4 148.0 -10.7 11.5 13.1 302 309 A D H 3> S+ 0 0 143 -2,-0.3 4,-1.2 1,-0.3 -1,-0.1 0.802 109.1 71.3 -56.1 -30.0 -12.8 12.6 16.2 303 310 A S H 34 S+ 0 0 34 1,-0.2 -1,-0.3 2,-0.1 -83,-0.0 0.785 115.2 21.0 -66.4 -16.4 -10.8 10.0 18.1 304 311 A F H X4 S+ 0 0 48 -3,-1.8 3,-2.2 2,-0.1 -2,-0.2 0.775 113.9 64.9-106.5 -44.2 -7.7 12.3 17.8 305 312 A A H 3< S+ 0 0 47 -4,-2.7 -3,-0.2 1,-0.3 -2,-0.1 0.709 101.5 50.1 -69.4 -20.9 -9.0 15.8 17.1 306 313 A S T 3< S+ 0 0 81 -4,-1.2 -1,-0.3 -5,-0.2 -3,-0.1 0.385 85.4 116.0 -92.0 7.9 -10.7 16.2 20.5 307 314 A H S X S- 0 0 8 -3,-2.2 3,-1.9 1,-0.1 -3,-0.1 -0.480 71.0-131.4 -79.0 139.2 -7.7 15.1 22.5 308 315 A P T 3 S+ 0 0 91 0, 0.0 -1,-0.1 0, 0.0 -193,-0.1 0.778 109.9 42.8 -56.6 -21.4 -6.1 17.6 24.7 309 316 A N T 3 S+ 0 0 57 -193,-0.1 -4,-0.1 -5,-0.1 -2,-0.1 0.090 77.9 154.3-114.4 22.8 -2.7 16.7 23.2 310 317 A Y < - 0 0 48 -3,-1.9 -5,-0.1 1,-0.2 -149,-0.0 -0.264 40.2-143.4 -48.9 122.1 -3.7 16.5 19.5 311 318 A P 0 0 8 0, 0.0 -1,-0.2 0, 0.0 -148,-0.1 0.759 360.0 360.0 -70.0 -21.6 -0.7 17.2 17.6 312 319 A Y 0 0 52 -150,-0.1 -2,-0.1 -151,-0.0 -7,-0.0 0.327 360.0 360.0 -91.8 360.0 -2.4 19.2 14.8 313 ! 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 0.0 314 321 A D 0 0 174 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 -0.8 24.1 16.3