==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 19-AUG-03 1UK6 . COMPND 2 MOLECULE: 2-HYDROXY-6-OXO-7-METHYLOCTA-2,4-DIENOATE . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS FLUORESCENS; . AUTHOR S.FUSHINOBU,S.-Y.JUN,M.HIDAKA,H.NOJIRI,H.YAMANE,H.SHOUN, . 271 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11469.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 194 71.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 10.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 11 4.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 1 0.4 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 . 25 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 88 32.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 3 1 0 2 1 0 1 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 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 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 3 A N > 0 0 113 0, 0.0 3,-2.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 105.4 27.2 29.4 -16.3 2 4 A L T 3 + 0 0 123 1,-0.3 37,-0.0 37,-0.0 0, 0.0 0.601 360.0 73.4 -64.3 -11.0 28.1 32.2 -13.9 3 5 A E T 3 S+ 0 0 18 36,-0.1 2,-0.5 2,-0.1 36,-0.3 0.702 83.9 79.0 -76.2 -17.3 24.8 31.8 -12.2 4 6 A I < + 0 0 88 -3,-2.0 3,-0.1 1,-0.1 60,-0.0 -0.789 59.4 155.8 -91.2 127.7 26.1 28.5 -10.7 5 7 A G - 0 0 33 -2,-0.5 13,-0.2 1,-0.4 2,-0.2 0.263 48.4 -30.3-117.2-117.0 28.4 29.2 -7.7 6 8 A K E -A 17 0A 113 11,-3.2 11,-2.3 -2,-0.0 -1,-0.4 -0.601 55.4-129.1-104.9 169.3 29.3 27.0 -4.8 7 9 A S E +A 16 0A 74 9,-0.2 2,-0.3 -2,-0.2 9,-0.2 -0.950 28.0 164.6-124.4 140.1 27.2 24.3 -3.2 8 10 A I E -A 15 0A 34 7,-1.7 7,-3.0 -2,-0.4 2,-0.6 -0.990 39.1-112.8-153.6 144.7 26.4 23.7 0.5 9 11 A L E +A 14 0A 116 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.694 42.2 172.4 -80.0 121.0 23.9 21.7 2.5 10 12 A A E > -A 13 0A 1 3,-2.2 3,-2.7 -2,-0.6 76,-0.2 -0.990 66.5 -16.0-135.4 125.7 21.5 24.1 4.2 11 13 A A T 3 S- 0 0 56 -2,-0.4 -1,-0.1 74,-0.3 3,-0.1 0.851 128.6 -56.1 50.7 34.1 18.4 23.1 6.1 12 14 A G T 3 S+ 0 0 64 1,-0.2 2,-0.5 73,-0.1 -1,-0.3 0.539 117.0 113.2 78.0 7.1 18.7 19.7 4.4 13 15 A V E < S-A 10 0A 5 -3,-2.7 -3,-2.2 69,-0.1 2,-0.6 -0.950 72.7-122.8-117.3 127.5 18.7 21.3 0.9 14 16 A L E -A 9 0A 78 -2,-0.5 53,-3.0 -5,-0.2 2,-0.4 -0.543 43.0-159.9 -66.0 113.2 21.7 21.3 -1.5 15 17 A T E -A 8 0A 1 -7,-3.0 -7,-1.7 -2,-0.6 2,-0.4 -0.852 18.1-145.1-110.4 131.7 22.0 25.0 -2.0 16 18 A N E +A 7 0A 9 -2,-0.4 43,-2.8 43,-0.3 2,-0.3 -0.712 37.1 156.2 -87.2 137.3 23.7 27.0 -4.8 17 19 A Y E -AB 6 58A 23 -11,-2.3 -11,-3.2 -2,-0.4 2,-0.4 -0.996 38.5-129.5-159.3 164.1 25.2 30.2 -3.6 18 20 A H E - B 0 57A 23 39,-1.8 39,-2.3 -2,-0.3 2,-0.4 -0.911 17.7-173.6-117.6 144.7 27.8 33.0 -4.1 19 21 A D E + B 0 56A 31 -2,-0.4 2,-0.4 37,-0.2 37,-0.2 -0.914 15.2 160.2-143.3 108.0 30.2 34.2 -1.5 20 22 A V E + B 0 55A 65 35,-2.4 35,-3.6 -2,-0.4 2,-0.1 -0.996 39.4 15.1-137.0 134.6 32.4 37.2 -2.2 21 23 A G - 0 0 30 -2,-0.4 2,-0.3 33,-0.3 33,-0.3 -0.357 66.9-100.2 101.6 176.9 34.3 39.6 0.1 22 24 A E + 0 0 172 28,-0.5 2,-0.3 31,-0.4 -2,-0.0 -0.950 68.3 35.3-139.5 158.5 35.4 39.7 3.7 23 25 A G S S+ 0 0 56 -2,-0.3 30,-0.1 30,-0.2 29,-0.0 -0.779 97.2 24.8 105.9-148.9 34.2 41.3 7.0 24 26 A Q S S- 0 0 69 28,-0.4 30,-2.3 -2,-0.3 2,-0.2 -0.284 84.8-117.8 -55.1 130.3 30.6 42.0 8.2 25 27 A P E -c 54 0A 20 0, 0.0 71,-2.1 0, 0.0 2,-0.4 -0.512 29.3-173.9 -79.6 143.7 28.2 39.5 6.5 26 28 A V E -cd 55 96A 0 28,-2.4 30,-2.9 69,-0.2 2,-0.5 -0.992 10.8-153.0-134.6 122.8 25.4 40.7 4.2 27 29 A I E -cd 56 97A 2 69,-2.8 71,-2.8 -2,-0.4 2,-0.5 -0.858 6.5-157.4-100.1 126.7 22.8 38.2 2.8 28 30 A L E - d 0 98A 0 28,-2.9 2,-0.6 -2,-0.5 71,-0.2 -0.911 5.2-162.2-105.2 124.6 21.2 39.2 -0.5 29 31 A I E - d 0 99A 0 69,-3.3 71,-2.9 -2,-0.5 74,-0.2 -0.917 12.3-142.8-113.1 113.9 17.8 37.5 -1.2 30 32 A H - 0 0 0 -2,-0.6 73,-0.5 28,-0.5 8,-0.1 0.065 18.1-103.1 -64.6 173.4 16.6 37.5 -4.8 31 33 A G - 0 0 4 6,-0.2 70,-0.1 71,-0.2 -1,-0.1 0.083 27.8-109.5 -83.4-161.1 13.0 38.0 -6.2 32 34 A S + 0 0 12 31,-0.0 3,-0.1 2,-0.0 69,-0.0 0.065 63.5 128.0-126.4 26.7 10.6 35.4 -7.5 33 35 A G S > S- 0 0 14 1,-0.1 3,-1.6 4,-0.1 2,-0.2 -0.265 71.9 -72.8 -77.2 170.3 10.3 35.9 -11.3 34 36 A P T 3 S+ 0 0 14 0, 0.0 142,-0.2 0, 0.0 -1,-0.1 -0.423 118.7 8.0 -66.5 131.8 10.8 33.1 -13.8 35 37 A G T 3 S+ 0 0 9 1,-0.2 5,-0.1 141,-0.2 142,-0.1 0.496 92.5 159.4 78.0 4.1 14.4 32.0 -14.2 36 38 A V < + 0 0 12 -3,-1.6 28,-1.1 4,-0.1 2,-0.3 -0.229 10.4 167.7 -62.0 146.9 15.5 34.1 -11.3 37 39 A S > - 0 0 0 26,-0.1 4,-2.1 27,-0.1 5,-0.2 -0.961 48.9-105.8-152.5 161.1 18.8 33.3 -9.4 38 40 A A H > S+ 0 0 0 -2,-0.3 4,-2.4 1,-0.2 5,-0.1 0.904 121.6 47.5 -57.9 -41.9 20.9 35.1 -6.9 39 41 A Y H > S+ 0 0 68 -36,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.921 108.3 53.4 -66.5 -44.8 23.5 35.9 -9.6 40 42 A A H 4 S+ 0 0 20 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.893 117.3 38.1 -57.0 -42.4 20.9 37.2 -12.1 41 43 A N H < S+ 0 0 21 -4,-2.1 3,-0.2 1,-0.1 -1,-0.2 0.864 128.1 30.1 -77.2 -39.5 19.5 39.6 -9.5 42 44 A W H >X S+ 0 0 0 -4,-2.4 4,-2.7 -5,-0.2 3,-1.6 0.310 77.3 110.8-109.7 10.4 22.7 40.7 -7.8 43 45 A R T 3< S+ 0 0 96 -4,-1.8 -1,-0.1 1,-0.3 -3,-0.1 0.785 89.9 41.5 -55.2 -30.5 25.5 40.5 -10.4 44 46 A L T 34 S+ 0 0 63 -3,-0.2 -1,-0.3 -4,-0.2 4,-0.2 0.475 117.6 49.2 -95.4 -3.1 25.9 44.3 -10.4 45 47 A T T <> S+ 0 0 0 -3,-1.6 4,-2.2 2,-0.1 3,-0.3 0.812 99.2 60.7-101.4 -42.3 25.5 44.6 -6.6 46 48 A I H X S+ 0 0 13 -4,-2.7 4,-3.2 1,-0.2 5,-0.2 0.907 98.8 56.2 -55.2 -49.4 27.9 42.1 -5.3 47 49 A P H 4 S+ 0 0 63 0, 0.0 4,-0.3 0, 0.0 -1,-0.2 0.881 112.3 42.9 -53.6 -41.6 31.1 43.6 -6.8 48 50 A A H >4 S+ 0 0 34 -3,-0.3 3,-0.9 -4,-0.2 4,-0.2 0.941 119.4 40.7 -71.4 -48.8 30.4 47.0 -5.1 49 51 A L H >X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 3,-2.0 0.843 104.1 67.3 -69.1 -34.4 29.4 45.6 -1.7 50 52 A S T 3< S+ 0 0 15 -4,-3.2 -28,-0.5 1,-0.3 -1,-0.2 0.592 86.1 71.2 -64.1 -10.7 32.1 42.9 -1.6 51 53 A K T <4 S+ 0 0 142 -3,-0.9 -1,-0.3 -4,-0.3 -2,-0.2 0.714 118.9 16.5 -78.0 -18.3 34.8 45.6 -1.4 52 54 A F T <4 S+ 0 0 132 -3,-2.0 -28,-0.4 -4,-0.2 2,-0.3 0.492 128.6 37.3-128.7 -11.8 33.6 46.4 2.2 53 55 A Y S < S- 0 0 17 -4,-2.0 2,-0.8 -30,-0.1 -31,-0.4 -0.899 78.7-105.7-139.6 166.6 31.5 43.3 3.2 54 56 A R E - c 0 25A 64 -30,-2.3 -28,-2.4 -2,-0.3 2,-0.6 -0.871 43.7-155.1 -92.9 114.6 31.3 39.6 2.9 55 57 A V E -Bc 20 26A 2 -35,-3.6 -35,-2.4 -2,-0.8 2,-0.5 -0.837 13.8-173.5-101.4 122.3 28.4 39.1 0.5 56 58 A I E +Bc 19 27A 0 -30,-2.9 -28,-2.9 -2,-0.6 -37,-0.2 -0.958 5.6 175.5-114.9 123.6 26.4 35.9 0.5 57 59 A A E -B 18 0A 0 -39,-2.3 -39,-1.8 -2,-0.5 2,-0.2 -0.884 10.0-178.7-131.4 99.8 23.8 35.5 -2.3 58 60 A P E -B 17 0A 1 0, 0.0 2,-0.7 0, 0.0 -28,-0.5 -0.625 32.0-115.8 -99.2 157.7 22.0 32.1 -2.3 59 61 A D - 0 0 0 -43,-2.8 -43,-0.3 -2,-0.2 3,-0.1 -0.820 39.2-124.5 -89.2 119.3 19.4 30.6 -4.6 60 62 A M > - 0 0 0 -2,-0.7 3,-2.5 1,-0.1 6,-0.3 -0.331 38.1 -85.4 -64.1 144.5 16.2 30.1 -2.4 61 63 A V T 3 S+ 0 0 0 1,-0.3 7,-0.1 18,-0.1 -1,-0.1 -0.264 121.4 29.7 -52.9 129.0 14.8 26.5 -2.4 62 64 A G T 3 S+ 0 0 1 5,-0.6 2,-0.3 1,-0.3 -1,-0.3 0.278 114.4 77.0 101.5 -7.6 12.5 26.2 -5.4 63 65 A F S X S- 0 0 6 -3,-2.5 3,-1.4 4,-0.2 -1,-0.3 -0.882 88.8 -10.4-132.1 162.0 14.5 28.8 -7.5 64 66 A G T 3 S- 0 0 1 -28,-1.1 -27,-0.1 -2,-0.3 -60,-0.1 -0.140 115.1 -31.2 53.7-140.1 17.8 29.0 -9.4 65 67 A F T 3 S+ 0 0 50 -62,-0.2 -1,-0.2 -49,-0.0 2,-0.1 0.217 101.0 114.4 -99.9 14.4 20.2 26.1 -9.2 66 68 A T S < S- 0 0 2 -3,-1.4 -51,-0.2 -6,-0.3 -4,-0.2 -0.503 81.5 -85.6 -78.8 154.5 19.4 25.0 -5.6 67 69 A D - 0 0 80 -53,-3.0 -5,-0.6 -2,-0.1 -4,-0.2 -0.263 30.2-145.3 -61.0 147.2 17.9 21.6 -5.3 68 70 A R - 0 0 65 -7,-0.1 3,-0.1 -6,-0.1 -1,-0.1 -0.822 23.7-141.6-115.4 86.2 14.1 21.3 -5.7 69 71 A P > - 0 0 41 0, 0.0 3,-2.0 0, 0.0 -56,-0.0 -0.192 24.0-102.9 -51.9 132.3 13.2 18.5 -3.2 70 72 A E T 3 S+ 0 0 181 1,-0.3 0, 0.0 2,-0.0 0, 0.0 -0.326 104.7 2.4 -58.4 132.9 10.5 16.1 -4.4 71 73 A N T 3 S+ 0 0 142 1,-0.2 -1,-0.3 -3,-0.1 2,-0.1 0.760 92.3 172.0 59.4 26.2 7.2 16.9 -2.7 72 74 A Y < - 0 0 57 -3,-2.0 2,-0.9 1,-0.1 -1,-0.2 -0.406 32.5-130.4 -67.0 142.5 8.8 19.9 -0.9 73 75 A N - 0 0 133 -2,-0.1 2,-0.3 2,-0.0 5,-0.1 -0.805 22.7-157.2-100.7 97.5 6.4 22.1 1.0 74 76 A Y + 0 0 65 -2,-0.9 2,-0.3 4,-0.1 3,-0.1 -0.530 30.2 135.7 -76.2 134.1 7.1 25.7 -0.0 75 77 A S > - 0 0 48 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.974 66.5 -95.4-166.7 166.7 5.9 28.4 2.4 76 78 A K H > S+ 0 0 52 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.927 125.3 47.0 -57.0 -45.9 7.1 31.6 4.1 77 79 A D H > S+ 0 0 83 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.860 110.6 51.5 -66.8 -35.6 8.2 29.7 7.1 78 80 A S H > S+ 0 0 25 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.890 111.3 47.7 -68.1 -39.2 10.1 27.1 5.0 79 81 A W H X S+ 0 0 10 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.882 110.5 51.3 -68.8 -37.8 11.9 29.8 3.1 80 82 A V H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.917 109.2 52.3 -63.2 -40.6 12.8 31.5 6.4 81 83 A D H X S+ 0 0 61 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.837 107.6 51.8 -63.2 -33.4 14.1 28.1 7.6 82 84 A H H X S+ 0 0 0 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.932 108.9 49.6 -68.9 -45.4 16.2 27.9 4.4 83 85 A I H X S+ 0 0 2 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.937 114.1 44.9 -57.3 -48.7 17.7 31.3 5.0 84 86 A I H X S+ 0 0 9 -4,-2.5 4,-2.9 1,-0.2 -1,-0.2 0.874 110.9 54.6 -64.3 -37.5 18.6 30.4 8.6 85 87 A G H X S+ 0 0 9 -4,-2.1 4,-2.4 -5,-0.2 -74,-0.3 0.858 108.1 49.7 -64.4 -34.6 19.9 27.1 7.5 86 88 A I H X S+ 0 0 3 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.919 112.1 46.8 -69.6 -43.8 22.2 28.9 5.1 87 89 A M H <>S+ 0 0 0 -4,-2.2 5,-3.1 2,-0.2 4,-0.3 0.927 113.6 48.8 -63.8 -44.2 23.5 31.2 7.8 88 90 A D H ><5S+ 0 0 93 -4,-2.9 3,-1.5 1,-0.2 -2,-0.2 0.931 109.1 53.1 -59.7 -47.2 24.0 28.3 10.2 89 91 A A H 3<5S+ 0 0 44 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.818 114.7 41.2 -57.7 -34.3 25.8 26.3 7.5 90 92 A L T 3<5S- 0 0 23 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.281 112.5-115.9 -99.0 9.5 28.2 29.2 6.9 91 93 A E T < 5 + 0 0 129 -3,-1.5 2,-1.0 -4,-0.3 -3,-0.2 0.820 59.1 157.9 59.4 32.6 28.6 30.1 10.6 92 94 A I < + 0 0 7 -5,-3.1 -1,-0.2 -6,-0.2 3,-0.1 -0.785 15.1 177.8 -89.7 101.4 27.0 33.5 10.0 93 95 A E + 0 0 123 -2,-1.0 2,-0.3 1,-0.3 -1,-0.2 0.867 67.3 2.5 -74.8 -38.7 25.7 34.4 13.5 94 96 A K S S+ 0 0 103 -7,-0.1 2,-0.3 24,-0.0 -1,-0.3 -0.987 74.1 166.2-149.5 139.2 24.3 37.8 12.6 95 97 A A E - e 0 118A 0 22,-2.0 24,-2.5 -2,-0.3 -69,-0.2 -0.985 37.2-108.8-152.7 161.8 24.0 39.6 9.3 96 98 A H E -d 26 0A 2 -71,-2.1 -69,-2.8 -2,-0.3 2,-0.4 -0.590 38.3-148.0 -84.2 155.0 22.5 42.5 7.4 97 99 A I E -de 27 121A 0 23,-2.4 25,-2.3 -71,-0.2 2,-0.5 -0.995 15.0-166.4-133.7 135.4 19.9 41.4 4.8 98 100 A V E -de 28 122A 0 -71,-2.8 -69,-3.3 -2,-0.4 2,-0.5 -0.984 16.7-169.8-117.4 119.8 18.9 42.9 1.5 99 101 A G E -de 29 123A 0 23,-2.8 25,-2.8 -2,-0.5 2,-0.7 -0.950 14.6-151.1-121.1 129.5 15.7 41.5 0.0 100 102 A N E > - e 0 124A 7 -71,-2.9 3,-2.6 -2,-0.5 25,-0.2 -0.855 59.5 -66.7 -98.3 115.6 14.3 42.1 -3.4 101 103 A A T >> S+ 0 0 10 23,-3.1 26,-2.3 -2,-0.7 4,-2.0 -0.199 138.2 26.2 48.1-106.3 10.5 41.9 -3.5 102 104 A F H 3> S+ 0 0 5 1,-0.3 4,-1.8 2,-0.2 -1,-0.3 0.922 128.2 50.0 -45.5 -51.1 9.8 38.3 -2.7 103 105 A G H <> S+ 0 0 0 -3,-2.6 4,-2.0 -73,-0.5 -1,-0.3 0.752 104.4 57.7 -62.4 -27.5 13.1 38.3 -0.8 104 106 A G H <> S+ 0 0 0 -3,-1.0 4,-2.3 20,-0.2 -1,-0.2 0.880 104.7 51.2 -70.4 -38.2 12.1 41.4 1.0 105 107 A G H X S+ 0 0 0 -4,-2.0 4,-2.2 -3,-0.3 -2,-0.2 0.918 111.8 47.2 -63.2 -41.7 9.1 39.6 2.4 106 108 A L H X S+ 0 0 0 -4,-1.8 4,-2.5 -5,-0.2 -2,-0.2 0.856 107.9 56.6 -66.6 -36.2 11.3 36.8 3.5 107 109 A A H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.953 109.1 45.7 -60.4 -49.3 13.7 39.3 5.1 108 110 A I H X S+ 0 0 0 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.934 113.3 49.6 -58.9 -47.4 11.0 40.8 7.2 109 111 A A H X S+ 0 0 4 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.871 111.0 49.6 -61.0 -38.9 9.7 37.3 8.2 110 112 A T H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.903 109.0 52.0 -67.8 -40.7 13.2 36.2 9.2 111 113 A A H < S+ 0 0 1 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.801 111.2 48.8 -65.2 -29.5 13.8 39.3 11.3 112 114 A L H < S+ 0 0 45 -4,-1.6 3,-0.4 -5,-0.2 -1,-0.2 0.873 119.9 34.6 -78.0 -39.5 10.5 38.6 13.1 113 115 A R H < S+ 0 0 97 -4,-2.0 -2,-0.2 1,-0.2 -3,-0.2 0.745 133.8 27.0 -86.6 -26.4 11.2 35.0 13.9 114 116 A Y >X + 0 0 56 -4,-2.8 3,-2.2 -5,-0.2 4,-0.7 -0.376 67.7 159.4-134.2 55.9 15.0 35.3 14.4 115 117 A S G >4 S+ 0 0 51 -3,-0.4 3,-1.0 1,-0.3 -1,-0.1 0.826 74.4 58.5 -47.8 -39.6 15.5 38.9 15.5 116 118 A E G 34 S+ 0 0 120 1,-0.2 -1,-0.3 -3,-0.1 -5,-0.1 0.722 103.3 53.0 -66.6 -20.8 18.9 38.0 17.0 117 119 A R G <4 S+ 0 0 36 -3,-2.2 -22,-2.0 -7,-0.2 2,-0.5 0.574 100.3 70.2 -91.3 -11.0 20.2 36.8 13.7 118 120 A V E << +e 95 0A 2 -3,-1.0 -22,-0.2 -4,-0.7 3,-0.1 -0.921 48.6 169.5-115.2 132.7 19.3 40.0 11.7 119 121 A D E + 0 0 49 -24,-2.5 2,-0.2 -2,-0.5 -23,-0.2 0.651 64.0 1.4 -99.6-101.8 21.0 43.4 12.0 120 122 A R E - 0 0 28 92,-0.1 -23,-2.4 94,-0.0 -1,-0.4 -0.608 67.3-152.9 -91.8 151.7 20.2 46.0 9.4 121 123 A M E -ef 97 214A 0 92,-1.9 94,-2.5 -2,-0.2 2,-0.5 -0.945 13.4-164.3-126.4 147.0 17.7 45.4 6.5 122 124 A V E -ef 98 215A 0 -25,-2.3 -23,-2.8 -2,-0.4 2,-0.6 -0.994 12.9-166.2-126.7 118.1 17.3 46.9 3.0 123 125 A L E -ef 99 216A 0 92,-2.2 94,-2.8 -2,-0.5 2,-0.6 -0.938 4.2-168.7-111.7 113.2 13.8 46.1 1.6 124 126 A M E S-ef 100 217A 0 -25,-2.8 -23,-3.1 -2,-0.6 -20,-0.2 -0.899 72.3 -30.6-109.1 115.5 13.6 46.8 -2.2 125 127 A G S S- 0 0 0 92,-2.8 -1,-0.2 -2,-0.6 93,-0.1 0.883 102.1-171.2 44.8 41.5 10.2 46.8 -3.9 126 128 A A - 0 0 0 91,-0.3 3,-0.2 -3,-0.1 -24,-0.2 -0.264 32.9-136.6 -76.4 148.0 9.5 44.3 -1.1 127 129 A A + 0 0 12 -26,-2.3 -19,-0.2 1,-0.2 3,-0.1 -0.377 62.2 107.5 -82.1 171.8 6.6 42.0 -0.3 128 130 A G + 0 0 0 1,-0.5 74,-2.9 69,-0.3 2,-0.3 0.152 68.9 59.3 139.8 -22.0 5.7 42.0 3.4 129 131 A T S S- 0 0 8 -3,-0.2 -1,-0.5 72,-0.2 2,-0.3 -0.944 90.3 -97.2-132.6 154.3 2.4 43.9 3.5 130 132 A R + 0 0 172 -2,-0.3 2,-0.3 72,-0.2 68,-0.1 -0.555 48.9 159.7 -77.3 133.7 -0.8 43.1 1.9 131 133 A F - 0 0 20 -2,-0.3 2,-0.3 63,-0.1 3,-0.1 -0.976 47.9 -90.0-147.5 151.2 -1.6 44.9 -1.4 132 134 A D - 0 0 136 -2,-0.3 62,-0.0 1,-0.1 -2,-0.0 -0.492 53.9 -99.7 -68.6 127.0 -4.0 44.1 -4.2 133 135 A V - 0 0 53 -2,-0.3 2,-0.2 1,-0.1 -1,-0.1 -0.125 42.0-139.5 -46.0 133.4 -2.4 41.9 -6.9 134 136 A T > - 0 0 31 90,-0.4 4,-2.3 1,-0.1 5,-0.2 -0.567 18.7-115.0 -95.1 162.3 -1.3 44.1 -9.8 135 137 A E H > S+ 0 0 137 1,-0.2 4,-1.9 -2,-0.2 5,-0.2 0.896 117.4 54.8 -63.7 -36.6 -1.6 43.2 -13.4 136 138 A G H > S+ 0 0 8 87,-0.7 4,-2.2 2,-0.2 88,-0.2 0.917 109.4 44.7 -62.8 -44.7 2.2 43.2 -13.6 137 139 A L H > S+ 0 0 10 86,-0.4 4,-3.0 87,-0.4 5,-0.3 0.916 111.9 51.6 -67.6 -42.3 2.7 40.7 -10.8 138 140 A N H X S+ 0 0 36 -4,-2.3 4,-1.3 1,-0.2 -1,-0.2 0.861 111.7 48.8 -63.3 -32.6 -0.1 38.4 -12.1 139 141 A A H < S+ 0 0 29 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.903 112.5 48.4 -72.0 -40.7 1.7 38.5 -15.5 140 142 A V H >< S+ 0 0 3 -4,-2.2 3,-1.5 1,-0.2 -2,-0.2 0.973 117.2 39.3 -62.4 -55.9 5.0 37.7 -13.9 141 143 A W H 3< S+ 0 0 13 -4,-3.0 48,-0.2 1,-0.3 -1,-0.2 0.741 115.3 55.0 -67.6 -21.9 3.9 34.8 -11.7 142 144 A G T 3< S+ 0 0 28 -4,-1.3 -1,-0.3 -5,-0.3 -2,-0.2 0.224 81.5 142.8 -95.5 14.7 1.6 33.6 -14.6 143 145 A Y < - 0 0 9 -3,-1.5 -3,-0.1 42,-0.1 7,-0.0 -0.227 29.9-171.5 -58.3 139.9 4.5 33.5 -17.0 144 146 A T - 0 0 82 2,-0.1 5,-0.1 -110,-0.0 -2,-0.1 -0.972 40.2 -85.9-128.4 141.5 4.7 30.7 -19.6 145 147 A P S S+ 0 0 49 0, 0.0 2,-0.2 0, 0.0 3,-0.1 -0.232 70.7 112.2 -59.0 131.7 7.9 30.3 -21.7 146 148 A S > - 0 0 35 1,-0.1 4,-2.2 -2,-0.0 5,-0.2 -0.779 66.6-115.9 174.6 147.3 8.5 32.2 -25.0 147 149 A I H > S+ 0 0 101 -2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.867 117.8 51.3 -64.7 -33.2 11.0 35.0 -25.9 148 150 A E H > S+ 0 0 111 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.891 109.4 49.3 -70.9 -39.0 8.1 37.4 -26.5 149 151 A N H > S+ 0 0 59 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.893 113.3 47.4 -66.3 -37.2 6.6 36.6 -23.1 150 152 A M H X S+ 0 0 5 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.867 109.4 52.8 -71.2 -36.7 10.0 37.1 -21.4 151 153 A R H X S+ 0 0 54 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.921 111.1 47.6 -63.3 -42.7 10.5 40.4 -23.3 152 154 A N H X S+ 0 0 65 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.867 111.0 50.7 -66.5 -37.0 7.2 41.6 -22.1 153 155 A L H X S+ 0 0 10 -4,-1.9 4,-1.5 2,-0.2 3,-0.2 0.939 109.8 50.0 -65.9 -45.8 8.0 40.5 -18.5 154 156 A L H X S+ 0 0 14 -4,-2.7 4,-1.6 1,-0.2 -2,-0.2 0.869 108.2 53.9 -59.2 -36.8 11.3 42.4 -18.6 155 157 A D H < S+ 0 0 15 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.855 103.8 56.2 -65.4 -35.0 9.4 45.4 -19.9 156 158 A I H < S+ 0 0 26 -4,-1.6 67,-0.7 -3,-0.2 94,-0.3 0.848 110.0 45.4 -65.0 -33.8 7.1 45.2 -16.9 157 159 A F H < S+ 0 0 30 -4,-1.5 94,-1.4 92,-0.1 93,-1.4 0.785 107.1 73.1 -78.5 -29.3 10.2 45.4 -14.6 158 160 A A < - 0 0 2 -4,-1.6 3,-0.2 91,-0.2 90,-0.1 -0.605 50.8-168.4 -97.5 149.9 11.8 48.2 -16.4 159 161 A Y S S+ 0 0 84 1,-0.3 2,-1.0 -2,-0.2 -1,-0.1 0.858 93.1 49.1 -89.7 -51.4 11.1 51.9 -16.7 160 162 A D S > S- 0 0 62 1,-0.2 3,-1.8 87,-0.1 -1,-0.3 -0.772 70.7-171.3 -93.7 97.1 13.6 52.4 -19.6 161 163 A R G > S+ 0 0 144 -2,-1.0 3,-2.4 1,-0.3 -1,-0.2 0.655 74.0 83.0 -63.1 -17.1 12.7 49.6 -22.1 162 164 A S G 3 S+ 0 0 86 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.722 84.9 63.3 -60.7 -17.0 15.8 50.4 -24.2 163 165 A L G < S+ 0 0 73 -3,-1.8 2,-1.1 1,-0.1 -1,-0.3 0.650 83.5 84.2 -80.5 -16.6 17.5 48.2 -21.6 164 166 A V < + 0 0 7 -3,-2.4 2,-0.2 -4,-0.2 -1,-0.1 -0.767 66.5 178.6 -90.7 99.3 15.3 45.2 -22.7 165 167 A T > - 0 0 65 -2,-1.1 4,-2.6 1,-0.1 5,-0.2 -0.627 43.7-113.6-100.1 159.6 17.2 43.8 -25.7 166 168 A D H > S+ 0 0 109 1,-0.2 4,-2.2 -2,-0.2 5,-0.1 0.894 119.6 53.9 -55.5 -39.8 16.4 40.8 -27.8 167 169 A E H > S+ 0 0 123 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.911 108.2 46.5 -62.4 -46.1 19.5 39.2 -26.4 168 170 A L H > S+ 0 0 42 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.918 113.0 50.0 -63.6 -42.5 18.6 39.7 -22.8 169 171 A A H X S+ 0 0 2 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.882 112.1 49.2 -62.0 -38.4 15.1 38.4 -23.5 170 172 A R H X S+ 0 0 123 -4,-2.2 4,-2.5 -5,-0.2 -2,-0.2 0.925 111.6 47.7 -66.5 -47.5 16.7 35.3 -25.2 171 173 A L H X S+ 0 0 84 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.891 115.3 44.0 -63.3 -41.7 19.1 34.6 -22.3 172 174 A R H X S+ 0 0 41 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.833 111.1 54.7 -74.3 -30.2 16.4 34.9 -19.6 173 175 A Y H X S+ 0 0 66 -4,-1.8 4,-1.1 -5,-0.3 -2,-0.2 0.942 109.9 47.7 -64.1 -45.5 14.0 32.8 -21.7 174 176 A E H < S+ 0 0 103 -4,-2.5 3,-0.4 1,-0.2 -2,-0.2 0.881 110.1 51.8 -62.5 -38.2 16.7 30.2 -21.9 175 177 A A H >< S+ 0 0 6 -4,-1.9 3,-1.2 1,-0.2 -1,-0.2 0.908 107.0 54.9 -64.7 -38.5 17.2 30.4 -18.1 176 178 A S H 3< S+ 0 0 1 -4,-2.3 6,-0.4 1,-0.2 -1,-0.2 0.710 106.4 50.1 -68.7 -22.4 13.5 30.0 -17.6 177 179 A I T 3< S+ 0 0 76 -4,-1.1 -1,-0.2 -3,-0.4 3,-0.2 0.294 77.1 130.3-101.1 11.6 13.3 26.7 -19.6 178 180 A Q S X> S- 0 0 36 -3,-1.2 3,-2.5 -4,-0.2 4,-0.5 -0.276 80.2 -63.5 -60.4 152.5 16.2 24.9 -17.8 179 181 A P T 34 S- 0 0 125 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 -0.082 120.6 -5.8 -42.1 121.1 15.2 21.4 -16.6 180 182 A G T 3> S+ 0 0 31 -3,-0.2 4,-1.9 1,-0.1 5,-0.2 0.324 103.2 110.1 75.3 -7.6 12.5 21.6 -14.0 181 183 A F H <> S+ 0 0 14 -3,-2.5 4,-2.4 2,-0.2 5,-0.2 0.974 80.4 38.6 -64.3 -58.3 12.5 25.4 -13.8 182 184 A Q H X S+ 0 0 29 -4,-0.5 4,-2.8 -6,-0.4 5,-0.2 0.832 113.8 59.0 -63.0 -32.4 9.1 26.2 -15.4 183 185 A E H > S+ 0 0 122 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.960 112.2 36.3 -62.7 -51.8 7.6 23.2 -13.7 184 186 A S H X S+ 0 0 15 -4,-1.9 4,-0.5 1,-0.2 -2,-0.2 0.855 117.7 54.1 -71.2 -32.7 8.4 24.3 -10.2 185 187 A F H >X S+ 0 0 9 -4,-2.4 3,-1.1 -5,-0.2 4,-0.9 0.945 107.0 48.5 -65.7 -48.9 7.8 28.0 -11.1 186 188 A S H 3< S+ 0 0 59 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.762 115.1 45.7 -64.3 -25.9 4.3 27.5 -12.5 187 189 A S H 3< S+ 0 0 80 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.487 99.7 73.9 -95.0 -2.6 3.2 25.4 -9.4 188 190 A M H << S+ 0 0 15 -3,-1.1 -2,-0.2 -4,-0.5 -1,-0.1 0.930 110.6 17.0 -76.1 -47.2 4.7 27.9 -7.0 189 191 A F S < S+ 0 0 6 -4,-0.9 -1,-0.2 -48,-0.2 -2,-0.1 -0.409 83.5 175.3-126.1 58.1 2.2 30.8 -7.2 190 192 A P - 0 0 46 0, 0.0 6,-0.2 0, 0.0 5,-0.1 -0.217 38.5 -47.5 -66.1 152.8 -1.0 29.3 -8.8 191 193 A E S S+ 0 0 103 1,-0.1 2,-0.0 2,-0.1 -53,-0.0 -0.289 118.7 51.6 -61.2 142.9 -4.2 31.3 -9.2 192 194 A P S > S- 0 0 74 0, 0.0 3,-1.1 0, 0.0 4,-0.3 0.370 73.0-179.1 -77.3 127.7 -5.7 33.0 -7.3 193 195 A R T >> + 0 0 30 1,-0.2 4,-1.2 2,-0.2 3,-1.0 0.625 66.7 80.8 -73.8 -12.9 -2.4 34.7 -6.7 194 196 A Q H 3> S+ 0 0 50 1,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.831 84.0 67.7 -59.9 -29.8 -3.7 37.2 -4.1 195 197 A R H <> S+ 0 0 111 -3,-1.1 4,-2.1 1,-0.2 -1,-0.3 0.866 99.3 47.9 -56.8 -39.0 -3.3 34.2 -1.7 196 198 A W H <> S+ 0 0 68 -3,-1.0 4,-2.1 -4,-0.3 -1,-0.2 0.815 107.8 53.0 -76.4 -31.2 0.5 34.3 -2.0 197 199 A I H X S+ 0 0 6 -4,-1.2 4,-0.9 2,-0.2 -69,-0.3 0.941 113.9 45.3 -66.7 -43.7 0.8 38.1 -1.5 198 200 A D H < S+ 0 0 43 -4,-2.3 -2,-0.2 1,-0.2 3,-0.2 0.874 113.0 49.8 -66.2 -38.2 -1.2 37.6 1.7 199 201 A A H < S+ 0 0 48 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.859 110.8 48.8 -69.5 -36.7 0.8 34.6 2.8 200 202 A L H < S+ 0 0 7 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.650 97.6 93.8 -77.7 -15.3 4.2 36.3 2.3 201 203 A A < - 0 0 8 -4,-0.9 2,-0.3 -3,-0.2 -72,-0.2 -0.358 66.0-142.8 -78.2 157.7 3.0 39.4 4.2 202 204 A S - 0 0 9 -74,-2.9 -72,-0.2 -2,-0.1 -2,-0.1 -0.867 32.3 -96.0-115.7 151.5 3.6 40.0 7.9 203 205 A S > - 0 0 48 -2,-0.3 4,-2.7 1,-0.1 5,-0.2 -0.299 24.4-121.4 -68.9 152.9 0.9 41.7 10.1 204 206 A D H > S+ 0 0 46 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.899 115.4 56.4 -57.4 -39.7 1.1 45.4 10.8 205 207 A E H 4 S+ 0 0 116 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.909 110.3 42.4 -58.7 -46.4 1.3 44.5 14.4 206 208 A D H >4 S+ 0 0 82 1,-0.2 3,-1.5 2,-0.2 4,-0.4 0.921 111.6 53.9 -68.3 -45.0 4.3 42.3 14.0 207 209 A I H >< S+ 0 0 0 -4,-2.7 3,-1.6 1,-0.3 -2,-0.2 0.870 101.2 61.0 -58.3 -37.4 6.1 44.7 11.6 208 210 A K T 3< S+ 0 0 122 -4,-2.1 -1,-0.3 1,-0.3 30,-0.2 0.709 97.4 60.4 -63.2 -20.3 5.7 47.5 14.2 209 211 A T T < S+ 0 0 96 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.584 74.9 117.7 -84.6 -10.1 7.8 45.5 16.6 210 212 A L < - 0 0 4 -3,-1.6 28,-0.5 -4,-0.4 29,-0.4 -0.386 41.3-174.2 -61.3 125.2 10.9 45.4 14.3 211 213 A P + 0 0 79 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 0.519 44.8 117.3 -97.4 -6.7 13.8 47.2 16.1 212 214 A N S S- 0 0 12 1,-0.1 2,-0.3 -101,-0.0 27,-0.2 -0.341 74.3-113.9 -67.9 138.2 16.2 47.0 13.1 213 215 A E - 0 0 48 -2,-0.1 -92,-1.9 -94,-0.1 2,-0.4 -0.566 48.5-165.1 -65.5 130.0 17.5 50.0 11.3 214 216 A T E -fg 121 240A 0 25,-3.2 27,-1.5 -2,-0.3 2,-0.5 -0.963 25.5-159.6-131.3 143.6 15.8 49.7 7.9 215 217 A L E -fg 122 241A 4 -94,-2.5 -92,-2.2 -2,-0.4 2,-0.5 -0.968 13.5-161.8-121.3 111.8 16.3 51.2 4.5 216 218 A I E -fg 123 242A 0 25,-3.1 27,-3.0 -2,-0.5 2,-0.4 -0.842 9.9-173.8 -98.2 124.6 13.2 50.9 2.2 217 219 A I E +fg 124 243A 0 -94,-2.8 -92,-2.8 -2,-0.5 -91,-0.3 -0.950 8.6 164.2-121.7 139.8 13.9 51.4 -1.5 218 220 A H E - g 0 244A 0 25,-1.9 27,-2.5 -2,-0.4 2,-0.5 -0.993 34.5-123.3-152.4 153.5 11.3 51.6 -4.3 219 221 A G E > - g 0 245A 0 -2,-0.3 3,-2.4 25,-0.2 27,-0.2 -0.882 21.2-138.1-100.2 126.4 11.0 52.6 -8.0 220 222 A R T 3 S+ 0 0 138 25,-2.8 7,-0.3 -2,-0.5 -1,-0.1 0.889 105.0 43.4 -47.6 -46.1 8.3 55.2 -8.6 221 223 A E T 3 S+ 0 0 50 27,-1.6 -1,-0.3 24,-0.4 29,-0.2 0.215 78.4 149.4 -88.0 14.6 7.2 53.5 -11.7 222 224 A D < - 0 0 14 -3,-2.4 5,-0.3 27,-0.4 -65,-0.1 -0.294 24.6-173.7 -52.8 119.5 7.3 49.9 -10.3 223 225 A Q S S+ 0 0 80 -67,-0.7 -87,-0.7 3,-0.1 -86,-0.4 0.535 76.8 49.9 -93.9 -10.0 4.6 47.9 -12.1 224 226 A V S S+ 0 0 5 1,-0.3 -87,-0.4 -88,-0.2 -90,-0.4 0.911 119.5 23.2 -93.6 -58.4 5.0 44.8 -10.0 225 227 A V S S- 0 0 7 -89,-0.1 -1,-0.3 -92,-0.1 5,-0.1 -0.963 91.3-120.4-112.1 122.3 4.8 45.9 -6.4 226 228 A P >> - 0 0 29 0, 0.0 3,-2.0 0, 0.0 4,-0.8 -0.298 11.6-126.4 -64.1 143.0 3.1 49.3 -5.9 227 229 A L H >> S+ 0 0 47 -7,-0.3 4,-2.0 -5,-0.3 3,-0.7 0.860 109.4 70.3 -53.7 -35.2 4.9 52.2 -4.4 228 230 A S H 3> S+ 0 0 73 1,-0.3 4,-1.7 2,-0.2 -1,-0.3 0.793 90.4 60.9 -53.5 -30.5 2.0 52.4 -1.9 229 231 A S H <> S+ 0 0 3 -3,-2.0 4,-1.8 1,-0.2 -1,-0.3 0.921 107.3 42.4 -64.8 -44.1 3.3 49.1 -0.4 230 232 A S H X S+ 0 0 88 -4,-1.7 4,-1.4 -5,-0.2 3,-0.8 0.904 109.1 50.7 -69.2 -42.6 3.0 51.6 4.2 233 235 A L H 3X S+ 0 0 0 -4,-1.8 4,-2.8 1,-0.3 3,-0.3 0.899 108.0 56.0 -61.0 -37.7 6.1 49.7 5.3 234 236 A G H 3< S+ 0 0 31 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.711 105.9 49.3 -67.0 -22.0 7.6 53.1 5.9 235 237 A E H << S+ 0 0 135 -3,-0.8 -1,-0.2 -4,-0.7 -2,-0.2 0.719 116.8 43.6 -86.5 -23.6 4.7 54.1 8.2 236 238 A L H < S+ 0 0 8 -4,-1.4 2,-0.6 -3,-0.3 -2,-0.2 0.851 95.5 75.5 -90.3 -40.6 5.1 50.8 10.2 237 239 A I >< - 0 0 5 -4,-2.8 3,-0.6 1,-0.2 -29,-0.1 -0.675 65.1-155.6 -82.3 120.9 8.9 50.4 10.7 238 240 A D T 3 S+ 0 0 132 -2,-0.6 2,-1.8 -28,-0.5 -1,-0.2 0.968 86.6 41.4 -58.7 -65.2 10.2 52.7 13.4 239 241 A R T 3 S+ 0 0 139 -29,-0.4 -25,-3.2 -27,-0.2 2,-0.3 -0.424 95.2 131.0 -85.9 65.0 13.9 53.0 12.6 240 242 A A E < -g 214 0A 32 -2,-1.8 2,-0.3 -3,-0.6 -25,-0.2 -0.816 42.0-165.4-122.7 158.4 13.3 53.3 8.8 241 243 A Q E -g 215 0A 92 -27,-1.5 -25,-3.1 -2,-0.3 2,-0.4 -0.948 15.0-149.0-131.6 149.9 14.2 55.5 5.9 242 244 A L E -g 216 0A 70 -2,-0.3 2,-0.5 -27,-0.2 -25,-0.2 -0.988 11.7-175.4-125.2 131.9 12.5 55.5 2.5 243 245 A H E -g 217 0A 72 -27,-3.0 -25,-1.9 -2,-0.4 2,-0.5 -0.971 3.6-171.8-129.7 117.5 14.2 56.2 -0.7 244 246 A V E -g 218 0A 55 -2,-0.5 2,-0.5 -27,-0.2 -25,-0.2 -0.939 11.6-149.3-112.6 124.3 12.1 56.3 -3.9 245 247 A F E -g 219 0A 7 -27,-2.5 -25,-2.8 -2,-0.5 3,-0.4 -0.798 11.2-143.6 -92.7 125.7 13.8 56.6 -7.3 246 248 A G S S+ 0 0 28 -2,-0.5 3,-0.1 1,-0.2 -28,-0.0 -0.495 85.4 27.9 -81.0 159.5 11.9 58.5 -10.0 247 249 A R S S+ 0 0 159 1,-0.2 2,-0.3 -2,-0.1 -1,-0.2 0.947 102.0 113.7 53.5 50.7 12.2 57.1 -13.6 248 250 A C - 0 0 0 -3,-0.4 -27,-1.6 -89,-0.1 -26,-0.3 -0.971 48.1-162.6-153.9 134.0 12.8 53.7 -12.2 249 251 A G - 0 0 1 -2,-0.3 -27,-0.4 -28,-0.2 3,-0.2 0.160 57.3 -58.6 -93.6-145.1 10.8 50.5 -12.3 250 252 A H S S+ 0 0 6 -93,-1.4 2,-2.7 -94,-0.3 3,-0.3 0.888 120.1 77.9 -67.9 -39.7 11.1 47.3 -10.1 251 253 A W >> + 0 0 31 -94,-1.4 4,-3.7 1,-0.2 3,-1.3 -0.198 52.3 150.0 -65.4 49.7 14.8 46.8 -11.1 252 254 A T H 3> S+ 0 0 0 -2,-2.7 4,-2.2 1,-0.3 8,-0.3 0.893 72.2 50.5 -54.7 -42.4 16.2 49.4 -8.8 253 255 A Q H 34 S+ 0 0 1 -3,-0.3 -1,-0.3 1,-0.2 8,-0.1 0.706 121.0 37.6 -68.1 -18.2 19.5 47.6 -8.3 254 256 A I H <4 S+ 0 0 31 -3,-1.3 3,-0.5 2,-0.1 -2,-0.2 0.810 122.6 37.9 -99.7 -41.4 19.8 47.3 -12.1 255 257 A E H < S+ 0 0 28 -4,-3.7 -3,-0.2 1,-0.2 -2,-0.2 0.724 131.7 27.2 -85.4 -22.9 18.3 50.7 -13.3 256 258 A Q S X S+ 0 0 33 -4,-2.2 4,-3.0 -5,-0.4 5,-0.2 -0.245 80.6 151.1-130.2 42.5 19.8 52.9 -10.6 257 259 A T H > + 0 0 27 -3,-0.5 4,-3.1 1,-0.2 5,-0.2 0.860 68.9 41.9 -42.1 -61.5 22.9 50.7 -9.8 258 260 A D H > S+ 0 0 114 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.911 117.9 46.3 -60.7 -44.0 25.4 53.3 -8.7 259 261 A R H > S+ 0 0 138 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.898 115.6 47.9 -64.1 -40.1 22.9 55.2 -6.6 260 262 A F H X S+ 0 0 0 -4,-3.0 4,-2.4 -8,-0.3 5,-0.2 0.943 112.3 47.6 -64.8 -50.5 21.6 52.0 -5.1 261 263 A N H X S+ 0 0 13 -4,-3.1 4,-2.5 -5,-0.2 5,-0.2 0.900 112.5 49.3 -59.6 -43.1 25.0 50.6 -4.3 262 264 A R H X S+ 0 0 144 -4,-2.3 4,-2.3 -5,-0.2 5,-0.3 0.925 112.0 47.9 -62.3 -46.8 26.2 53.9 -2.7 263 265 A L H X S+ 0 0 41 -4,-2.0 4,-2.0 -5,-0.2 -2,-0.2 0.915 114.7 45.8 -61.2 -45.5 23.1 54.2 -0.5 264 266 A V H X S+ 0 0 1 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.920 113.3 47.8 -66.3 -46.0 23.3 50.5 0.7 265 267 A V H X S+ 0 0 13 -4,-2.5 4,-2.5 -5,-0.2 -2,-0.2 0.919 115.0 45.5 -62.8 -43.9 27.0 50.6 1.4 266 268 A E H X S+ 0 0 122 -4,-2.3 4,-1.3 -5,-0.2 -1,-0.2 0.874 109.9 55.9 -67.2 -36.4 26.8 53.8 3.4 267 269 A F H < S+ 0 0 5 -4,-2.0 3,-0.5 -5,-0.3 4,-0.4 0.945 113.7 39.9 -59.8 -48.1 23.7 52.5 5.2 268 270 A F H >< S+ 0 0 1 -4,-2.4 3,-1.4 1,-0.2 -2,-0.2 0.854 107.0 64.3 -70.6 -33.8 25.7 49.5 6.3 269 271 A N H 3< S+ 0 0 85 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.792 89.6 68.9 -59.7 -28.1 28.8 51.6 7.0 270 272 A E T 3< 0 0 118 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.816 360.0 360.0 -60.2 -31.9 26.9 53.4 9.7 271 273 A A < 0 0 84 -3,-1.4 -1,-0.2 -4,-0.4 -2,-0.2 0.970 360.0 360.0 -67.3 360.0 26.9 50.3 11.8