==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 27-OCT-06 2E1P . COMPND 2 MOLECULE: TK-SUBTILISIN; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOCOCCUS KODAKARENSIS; . AUTHOR S.TANAKA,K.SAITO,H.CHON,H.MATSUMURA,Y.KOGA,K.TAKANO,S.KANAYA . 395 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14247.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 283 71.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 37 9.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 48 12.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 39 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 82 20.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.0 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 2 1 0 1 1 1 0 1 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 1 3 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 . 6 2 1 1 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 2 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 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 4 A N 0 0 182 0, 0.0 2,-0.3 0, 0.0 42,-0.1 0.000 360.0 360.0 360.0 -64.0 51.9 59.8 35.5 2 5 A T - 0 0 54 39,-0.2 2,-0.3 40,-0.1 37,-0.1 -0.945 360.0-153.2-169.2 149.1 50.2 57.2 33.2 3 6 A I E -A 40 0A 55 37,-2.2 37,-1.9 -2,-0.3 2,-0.5 -0.936 25.2-116.9-127.7 152.0 47.1 56.8 30.9 4 7 A R E +A 39 0A 66 -2,-0.3 56,-0.8 35,-0.2 2,-0.3 -0.768 37.8 175.4 -91.8 126.3 45.3 53.7 29.9 5 8 A V E -AB 38 59A 0 33,-3.0 33,-2.9 -2,-0.5 2,-0.5 -0.929 25.6-138.4-130.7 153.7 45.3 52.9 26.2 6 9 A I E -AB 37 58A 0 52,-3.0 52,-2.9 -2,-0.3 2,-0.5 -0.960 20.7-160.5-114.3 122.9 44.1 50.0 24.0 7 10 A V E -AB 36 57A 0 29,-2.8 29,-2.1 -2,-0.5 2,-0.6 -0.890 11.0-152.8-110.9 125.1 46.4 48.9 21.2 8 11 A S E +AB 35 56A 10 48,-2.4 47,-2.3 -2,-0.5 48,-1.9 -0.830 35.9 173.0 -90.7 121.7 45.3 46.9 18.1 9 12 A V E - B 0 54A 2 25,-2.1 2,-0.7 -2,-0.6 45,-0.2 -0.704 43.9-108.4-128.0 178.1 48.4 44.9 17.1 10 13 A D >> - 0 0 58 43,-2.0 4,-2.8 -2,-0.2 3,-1.9 -0.942 30.2-150.5-106.7 103.6 49.8 42.3 14.8 11 14 A K T 34 S+ 0 0 111 -2,-0.7 -1,-0.1 1,-0.3 24,-0.0 0.735 92.2 58.2 -46.6 -32.5 50.4 39.3 17.1 12 15 A A T 34 S+ 0 0 91 1,-0.1 -1,-0.3 41,-0.1 41,-0.0 0.745 121.0 22.5 -75.6 -23.8 53.3 38.1 15.0 13 16 A K T <4 S+ 0 0 148 -3,-1.9 2,-0.3 40,-0.1 -2,-0.2 0.623 92.7 103.0-118.5 -18.1 55.3 41.4 15.3 14 17 A F < - 0 0 16 -4,-2.8 39,-0.2 39,-0.3 3,-0.1 -0.522 53.5-159.8 -71.3 127.5 54.2 43.2 18.4 15 18 A N >> - 0 0 63 37,-0.6 3,-2.5 -2,-0.3 4,-0.6 -0.911 13.0-159.2-114.4 109.7 56.6 42.8 21.2 16 19 A P H 3> S+ 0 0 42 0, 0.0 4,-1.4 0, 0.0 3,-0.4 0.764 92.6 69.0 -54.3 -27.0 55.3 43.4 24.8 17 20 A H H 3> S+ 0 0 147 1,-0.2 4,-0.7 2,-0.2 -3,-0.0 0.761 90.3 65.2 -62.7 -25.5 58.9 44.0 25.9 18 21 A E H X> S+ 0 0 65 -3,-2.5 3,-0.6 2,-0.2 4,-0.6 0.916 100.3 46.5 -63.2 -49.3 58.7 47.1 23.8 19 22 A V H ><>S+ 0 0 0 -4,-0.6 5,-2.2 -3,-0.4 3,-1.0 0.867 110.6 52.6 -65.3 -36.6 56.1 48.8 26.0 20 23 A L H ><5S+ 0 0 101 -4,-1.4 3,-0.8 1,-0.2 -1,-0.3 0.684 101.4 63.4 -72.8 -14.3 58.0 47.9 29.2 21 24 A G H <<5S+ 0 0 64 -4,-0.7 -1,-0.2 -3,-0.6 -2,-0.2 0.677 102.6 48.1 -81.1 -17.5 61.0 49.5 27.6 22 25 A I T <<5S- 0 0 33 -3,-1.0 -1,-0.2 -4,-0.6 -2,-0.2 -0.010 129.1 -90.8-110.9 28.2 59.3 52.9 27.6 23 26 A G T < 5S+ 0 0 56 -3,-0.8 2,-0.2 1,-0.3 -3,-0.2 0.726 91.1 118.9 73.4 22.4 58.1 52.8 31.1 24 27 A G < - 0 0 5 -5,-2.2 2,-0.3 16,-0.2 -1,-0.3 -0.623 45.2-153.1-112.2 173.9 54.8 51.2 30.3 25 28 A H E -C 39 0A 82 14,-2.2 14,-2.2 -2,-0.2 2,-0.5 -0.972 22.2-103.6-146.2 161.9 53.2 47.9 31.3 26 29 A I E +C 38 0A 44 -2,-0.3 12,-0.2 12,-0.2 3,-0.1 -0.760 31.3 172.8 -90.4 123.4 50.6 45.4 30.1 27 30 A V E - 0 0 35 10,-2.9 2,-0.3 -2,-0.5 11,-0.2 0.882 68.2 -4.0 -93.3 -52.1 47.2 45.5 31.8 28 31 A Y E -C 37 0A 27 9,-1.7 9,-3.6 108,-0.1 2,-0.7 -0.976 53.5-153.3-150.1 132.8 45.2 43.0 29.8 29 32 A Q E -C 36 0A 120 -2,-0.3 7,-0.2 7,-0.2 -3,-0.0 -0.919 27.9-131.7-107.2 110.2 45.9 40.9 26.7 30 33 A F - 0 0 15 5,-1.6 5,-0.2 -2,-0.7 165,-0.0 -0.287 13.8-162.4 -60.4 143.1 42.7 40.1 24.8 31 34 A K S S+ 0 0 145 1,-0.1 -1,-0.1 3,-0.1 -2,-0.0 0.769 87.2 41.5 -96.3 -31.3 42.2 36.5 23.9 32 35 A L S S+ 0 0 40 1,-0.1 -1,-0.1 3,-0.0 -2,-0.1 0.563 117.6 40.6 -95.0 -10.7 39.5 36.9 21.2 33 36 A I S S- 0 0 7 2,-0.2 2,-2.4 214,-0.0 -1,-0.1 -0.985 85.9-109.7-138.6 149.5 40.9 40.0 19.5 34 37 A P S S+ 0 0 67 0, 0.0 -25,-2.1 0, 0.0 2,-0.3 -0.433 82.0 102.8 -75.2 68.8 44.4 41.2 18.4 35 38 A A E -A 8 0A 2 -2,-2.4 -5,-1.6 -27,-0.3 2,-0.3 -0.980 50.6-157.4-148.9 159.0 44.6 44.0 21.0 36 39 A V E -AC 7 29A 2 -29,-2.1 -29,-2.8 -2,-0.3 2,-0.5 -0.999 16.2-134.0-143.3 138.5 46.1 44.7 24.4 37 40 A V E +AC 6 28A 0 -9,-3.6 -10,-2.9 -2,-0.3 -9,-1.7 -0.798 37.4 170.6 -91.2 126.9 45.3 47.1 27.2 38 41 A V E -AC 5 26A 0 -33,-2.9 -33,-3.0 -2,-0.5 2,-0.5 -0.968 32.5-136.3-139.5 154.5 48.4 49.0 28.4 39 42 A D E +AC 4 25A 15 -14,-2.2 -14,-2.2 -2,-0.3 -35,-0.2 -0.941 31.7 164.6-109.1 126.9 49.4 51.8 30.7 40 43 A V E -A 3 0A 0 -37,-1.9 -37,-2.2 -2,-0.5 -16,-0.2 -0.994 46.4 -90.6-139.8 143.5 52.0 54.2 29.4 41 44 A P >> - 0 0 26 0, 0.0 3,-3.0 0, 0.0 4,-0.6 -0.236 42.4-112.3 -51.7 142.7 53.1 57.7 30.6 42 45 A A T 34 S+ 0 0 62 1,-0.3 3,-0.3 2,-0.2 4,-0.2 0.711 119.7 54.0 -49.8 -21.2 51.0 60.4 28.8 43 46 A N T 34 S+ 0 0 133 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.506 99.0 59.2 -94.4 -6.3 54.3 61.3 27.1 44 47 A A T X> S+ 0 0 1 -3,-3.0 4,-1.5 1,-0.1 3,-1.0 0.443 75.6 94.9-101.4 -1.4 55.2 57.9 25.8 45 48 A V H 3X S+ 0 0 16 -4,-0.6 4,-1.7 1,-0.3 -1,-0.1 0.882 80.1 56.6 -56.7 -42.6 52.1 57.4 23.6 46 49 A G H 3> S+ 0 0 50 1,-0.2 4,-0.6 2,-0.2 -1,-0.3 0.773 104.7 55.0 -61.5 -24.9 53.9 58.8 20.5 47 50 A K H X4 S+ 0 0 121 -3,-1.0 3,-0.8 2,-0.2 4,-0.5 0.902 103.2 54.7 -74.4 -42.1 56.4 56.0 21.0 48 51 A L H >< S+ 0 0 0 -4,-1.5 3,-2.5 1,-0.2 -2,-0.2 0.946 99.7 59.1 -54.1 -55.3 53.8 53.3 21.1 49 52 A K H 3< S+ 0 0 121 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.760 109.1 46.5 -46.5 -31.7 52.3 54.3 17.7 50 53 A K T << S+ 0 0 190 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.2 0.474 85.6 110.8 -94.8 -2.9 55.7 53.7 16.1 51 54 A M S X S- 0 0 20 -3,-2.5 3,-1.8 -4,-0.5 -37,-0.1 -0.401 82.0 -90.3 -72.4 149.8 56.6 50.3 17.7 52 55 A P T 3 S+ 0 0 74 0, 0.0 -37,-0.6 0, 0.0 -1,-0.1 -0.314 111.9 17.4 -58.5 136.0 56.7 47.2 15.4 53 56 A G T 3 S+ 0 0 16 1,-0.2 -43,-2.0 -39,-0.2 2,-0.7 0.319 89.9 127.1 84.6 -10.7 53.3 45.5 15.2 54 57 A V E < +B 9 0A 18 -3,-1.8 -1,-0.2 -45,-0.2 -45,-0.2 -0.743 23.2 163.9 -86.2 115.3 51.4 48.4 16.6 55 58 A E E + 0 0 136 -47,-2.3 2,-0.4 -2,-0.7 -46,-0.2 0.819 63.6 11.8 -98.0 -41.2 48.5 49.2 14.2 56 59 A K E -B 8 0A 94 -48,-1.9 -48,-2.4 2,-0.0 2,-0.6 -0.996 52.9-160.3-146.0 138.6 46.2 51.4 16.2 57 60 A V E -B 7 0A 19 -2,-0.4 2,-0.4 -50,-0.2 -50,-0.2 -0.933 21.7-177.4-118.8 106.3 46.5 53.3 19.5 58 61 A E E -B 6 0A 15 -52,-2.9 -52,-3.0 -2,-0.6 180,-0.0 -0.829 22.3-121.8-110.0 144.3 43.1 54.1 21.0 59 62 A F E -B 5 0A 120 -2,-0.4 2,-1.1 -54,-0.2 -54,-0.2 -0.268 31.4-104.4 -74.2 164.8 42.2 56.1 24.1 60 63 A D - 0 0 34 -56,-0.8 -56,-0.1 130,-0.1 -1,-0.1 -0.746 44.9-169.9 -95.3 92.8 40.1 54.6 26.9 61 64 A H - 0 0 64 -2,-1.1 129,-2.8 128,-0.1 2,-0.3 -0.129 13.8-118.5 -75.8 174.2 36.7 56.3 26.6 62 65 A Q E -D 189 0B 126 127,-0.2 174,-0.3 128,-0.1 2,-0.3 -0.890 19.7-170.9-123.2 150.7 33.9 56.1 29.1 63 66 A A E -D 188 0B 4 125,-3.1 125,-2.9 -2,-0.3 2,-0.3 -0.869 13.5-153.2-126.7 161.1 30.3 54.9 29.2 64 67 A V E -DE 187 233B 64 169,-2.1 169,-1.7 -2,-0.3 123,-0.2 -0.940 25.6 -92.9-137.8 158.6 27.7 55.4 31.9 65 68 A L E - E 0 232B 10 121,-1.9 167,-0.2 -2,-0.3 47,-0.0 -0.307 26.7-149.1 -64.6 153.1 24.6 53.7 33.3 66 69 A L + 0 0 7 165,-1.6 255,-2.2 253,-0.1 256,-0.4 -0.146 64.9 85.6-120.1 38.0 21.3 54.8 31.8 67 70 A G - 0 0 3 254,-0.2 252,-0.2 252,-0.2 83,-0.1 -0.996 47.5-179.8-142.6 134.6 18.9 54.3 34.7 68 71 A K E -F 318 0C 116 250,-2.5 250,-1.9 -2,-0.4 -2,-0.0 -0.980 40.7 -92.1-134.4 144.4 18.0 56.5 37.6 69 72 A P E > -F 317 0C 35 0, 0.0 3,-0.7 0, 0.0 248,-0.3 -0.303 32.7-138.6 -56.3 131.6 15.7 56.2 40.7 70 73 A S T 3 S+ 0 0 18 246,-2.6 247,-0.1 1,-0.2 245,-0.0 0.868 99.1 14.1 -59.9 -39.6 12.3 57.6 39.7 71 74 A W T 3 S- 0 0 169 245,-0.5 -1,-0.2 0, 0.0 246,-0.1 -0.053 114.6 -95.4-128.5 31.6 11.8 59.3 43.1 72 75 A L < + 0 0 163 -3,-0.7 -2,-0.1 1,-0.2 245,-0.1 0.775 68.7 171.1 60.8 25.7 15.3 59.1 44.5 73 76 A G - 0 0 23 243,-0.3 -1,-0.2 1,-0.1 3,-0.1 -0.219 33.8-155.5 -65.7 158.7 14.3 56.0 46.4 74 77 A G - 0 0 67 1,-0.2 -1,-0.1 240,-0.1 241,-0.1 0.210 60.2 -76.3-118.2 11.2 16.9 53.9 48.2 75 78 A G - 0 0 25 238,-0.1 2,-0.2 241,-0.1 240,-0.2 0.281 51.0-161.8 100.5 133.4 15.0 50.6 48.0 76 79 A S B -G 314 0C 70 238,-3.0 238,-1.5 -3,-0.1 233,-0.1 -0.784 27.2 -73.6-136.6-179.3 12.0 49.4 50.0 77 80 A T - 0 0 109 -2,-0.2 236,-0.1 236,-0.2 -1,-0.1 -0.336 25.4-179.9 -82.2 158.7 10.1 46.2 50.9 78 81 A Q + 0 0 51 -2,-0.1 88,-2.9 1,-0.1 4,-0.1 -0.482 8.1 172.6-153.7 68.7 7.8 43.9 48.8 79 82 A P S S+ 0 0 103 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.897 70.4 47.0 -47.8 -52.2 6.7 41.0 51.1 80 83 A A S S- 0 0 68 85,-0.2 85,-0.3 1,-0.1 84,-0.1 -0.789 99.2-104.4 -97.6 137.5 4.2 39.6 48.6 81 84 A Q - 0 0 46 83,-1.2 2,-0.3 -2,-0.4 86,-0.2 -0.238 39.1-175.2 -62.3 144.1 5.2 39.1 45.0 82 85 A T - 0 0 64 84,-2.8 86,-0.2 83,-0.2 83,-0.0 -0.972 25.8-123.2-137.8 152.2 3.9 41.5 42.4 83 86 A I - 0 0 61 -2,-0.3 5,-0.1 84,-0.2 84,-0.1 -0.858 28.5-130.8-101.8 111.7 4.2 41.7 38.6 84 87 A P >> - 0 0 13 0, 0.0 3,-1.4 0, 0.0 4,-1.0 -0.284 21.2-119.5 -56.2 141.8 5.8 45.0 37.4 85 88 A W H >> S+ 0 0 71 1,-0.3 4,-2.4 2,-0.2 3,-0.7 0.880 111.9 60.0 -53.8 -40.4 3.7 46.6 34.6 86 89 A G H 3> S+ 0 0 0 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.791 98.4 59.2 -58.8 -28.7 6.5 46.3 32.1 87 90 A I H <4>S+ 0 0 2 -3,-1.4 5,-1.7 2,-0.2 -1,-0.2 0.861 110.7 40.2 -69.3 -36.4 6.6 42.6 32.5 88 91 A E H X<5S+ 0 0 103 -4,-1.0 3,-2.1 -3,-0.7 -2,-0.2 0.844 108.5 61.3 -80.4 -34.1 3.0 42.2 31.4 89 92 A R H 3<5S+ 0 0 31 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.851 103.4 50.4 -59.9 -33.3 3.4 44.9 28.7 90 93 A V T 3<5S- 0 0 0 -4,-1.3 296,-3.3 -5,-0.2 297,-0.4 0.283 114.4-123.0 -88.6 12.2 6.0 42.7 27.0 91 94 A K T < 5 + 0 0 101 -3,-2.1 296,-1.4 294,-0.2 -3,-0.2 0.896 64.5 141.1 48.2 52.6 3.5 39.8 27.2 92 95 A A >>< + 0 0 0 -5,-1.7 3,-1.9 294,-0.2 4,-0.8 0.899 49.7 67.8 -89.2 -45.4 5.9 37.6 29.2 93 96 A P G >4 S+ 0 0 39 0, 0.0 3,-0.6 0, 0.0 4,-0.3 0.778 95.7 55.9 -45.9 -39.8 3.6 35.8 31.8 94 97 A S G >4 S+ 0 0 83 1,-0.2 3,-0.5 2,-0.1 4,-0.3 0.736 102.3 58.9 -70.9 -19.8 1.7 33.7 29.3 95 98 A V G X> S+ 0 0 3 -3,-1.9 4,-2.3 1,-0.2 3,-2.0 0.760 81.3 81.8 -79.3 -25.7 5.0 32.3 28.0 96 99 A W G << S+ 0 0 49 -4,-0.8 -1,-0.2 -3,-0.6 -2,-0.1 0.745 83.2 64.7 -53.2 -24.5 6.2 30.8 31.3 97 100 A S G <4 S+ 0 0 117 -3,-0.5 -1,-0.3 -4,-0.3 -2,-0.2 0.873 110.2 37.3 -64.7 -38.4 3.9 27.8 30.6 98 101 A I T <4 S- 0 0 52 -3,-2.0 2,-0.3 1,-0.3 -2,-0.2 0.935 139.6 -31.1 -78.2 -50.1 6.2 27.0 27.6 99 102 A T < - 0 0 7 -4,-2.3 -1,-0.3 1,-0.0 -2,-0.1 -0.974 34.5-156.9-165.9 153.8 9.4 28.0 29.4 100 103 A D - 0 0 49 -2,-0.3 73,-2.5 -3,-0.1 74,-0.7 0.248 67.5 -92.3-117.7 8.8 10.7 30.4 32.0 101 104 A G S S+ 0 0 0 72,-0.2 74,-0.6 71,-0.1 2,-0.5 0.463 87.5 131.5 94.4 3.9 14.3 30.3 30.6 102 105 A S + 0 0 77 72,-0.2 2,-0.7 3,-0.0 72,-0.1 -0.034 26.3 131.4 -81.3 33.8 15.4 27.5 32.9 103 106 A V > - 0 0 16 -2,-0.5 3,-2.4 1,-0.1 72,-0.2 -0.813 60.6-134.7 -88.8 115.7 17.0 25.6 30.0 104 107 A S T 3 S+ 0 0 97 -2,-0.7 -1,-0.1 1,-0.3 232,-0.0 0.698 98.5 57.6 -42.5 -36.1 20.4 24.7 31.2 105 108 A V T 3 S+ 0 0 7 231,-0.1 2,-0.4 113,-0.1 113,-0.4 0.728 92.1 88.2 -74.0 -18.5 22.3 25.7 28.0 106 109 A I < + 0 0 0 -3,-2.4 69,-0.7 -5,-0.1 2,-0.3 -0.645 47.8 164.7 -89.1 133.5 21.0 29.3 28.2 107 110 A Q E -i 175 0D 11 -2,-0.4 119,-2.6 117,-0.1 120,-0.9 -0.994 22.8-149.8-142.5 142.1 22.7 32.0 30.1 108 111 A V E -ij 176 227D 0 67,-2.6 69,-3.0 -2,-0.3 2,-0.5 -0.968 11.6-150.8-115.1 124.4 22.2 35.8 30.0 109 112 A A E -ij 177 228D 0 118,-3.4 120,-2.8 -2,-0.5 2,-0.6 -0.856 6.9-163.4 -99.2 126.8 25.3 38.0 30.7 110 113 A V E -ij 178 229D 0 67,-3.1 69,-2.5 -2,-0.5 2,-1.0 -0.926 4.2-159.0-113.1 107.1 24.5 41.4 32.2 111 114 A L E +i 179 0D 0 118,-1.9 120,-0.4 -2,-0.6 69,-0.2 -0.768 48.6 106.5 -88.7 104.4 27.4 43.9 32.0 112 115 A D E S-i 180 0D 0 67,-1.2 69,-2.5 -2,-1.0 70,-1.6 -0.645 85.0 -46.7-152.6-154.6 26.6 46.4 34.6 113 116 A T S S- 0 0 0 1,-0.3 34,-1.0 67,-0.2 35,-0.3 0.374 90.6-101.1 -76.3 7.3 27.4 47.8 38.1 114 117 A G - 0 0 0 65,-0.2 2,-0.3 32,-0.2 -1,-0.3 -0.588 42.6 -88.7 103.5-169.9 27.5 44.2 39.5 115 118 A V B -s 145 0E 0 29,-1.6 2,-1.6 -2,-0.2 31,-1.2 -0.986 16.6-118.3-146.4 153.9 24.8 42.4 41.5 116 119 A D > - 0 0 24 -2,-0.3 3,-2.3 29,-0.2 7,-0.2 -0.687 36.6-172.1 -87.5 81.8 23.6 41.8 45.0 117 120 A Y T 3 S+ 0 0 55 -2,-1.6 -1,-0.2 1,-0.3 9,-0.2 0.639 76.3 57.3 -53.9 -19.1 24.2 38.0 44.7 118 121 A D T 3 S+ 0 0 107 -3,-0.1 -1,-0.3 4,-0.1 6,-0.1 0.458 71.7 129.1 -92.8 -1.5 22.5 37.2 48.1 119 122 A H X> - 0 0 0 -3,-2.3 4,-3.6 1,-0.2 3,-2.5 -0.368 59.8-138.8 -57.2 119.9 19.2 38.8 47.1 120 123 A P T 34 S+ 0 0 61 0, 0.0 4,-0.2 0, 0.0 -1,-0.2 0.691 101.7 51.9 -54.7 -21.7 16.5 36.2 47.9 121 124 A D T 34 S+ 0 0 0 2,-0.1 40,-2.5 1,-0.1 -2,-0.1 0.320 124.9 23.6-100.3 10.1 14.7 37.0 44.7 122 125 A L T X> S+ 0 0 2 -3,-2.5 3,-2.7 38,-0.2 4,-0.7 0.555 93.1 91.0-137.8 -37.6 17.8 36.7 42.5 123 126 A A G >< S+ 0 0 40 -4,-3.6 3,-1.7 1,-0.3 -2,-0.1 0.795 84.7 56.2 -33.7 -56.6 20.3 34.4 44.2 124 127 A A G 34 S+ 0 0 82 1,-0.3 -1,-0.3 -4,-0.2 -3,-0.0 0.717 108.9 48.1 -56.4 -22.9 19.1 31.1 42.6 125 128 A N G <4 S+ 0 0 16 -3,-2.7 51,-3.6 34,-0.1 2,-1.2 0.506 83.1 100.8 -96.9 -5.3 19.5 32.5 39.1 126 129 A I E << +k 176 0D 29 -3,-1.7 51,-0.1 -4,-0.7 3,-0.1 -0.693 39.6 166.2 -84.6 98.6 23.0 33.9 39.5 127 130 A A E + 0 0 55 49,-1.7 2,-0.3 -2,-1.2 50,-0.2 0.733 66.6 17.7 -85.0 -26.0 25.2 31.3 37.9 128 131 A W E -k 177 0D 33 48,-1.6 50,-2.5 2,-0.0 2,-0.5 -0.987 59.5-167.0-150.7 138.0 28.4 33.3 37.6 129 132 A a E +k 178 0D 13 -2,-0.3 2,-0.3 48,-0.2 15,-0.2 -0.937 25.8 149.2-130.5 109.0 29.6 36.5 39.3 130 133 A V E -k 179 0D 1 48,-2.6 50,-2.9 -2,-0.5 2,-0.3 -0.901 28.2-150.8-137.7 167.2 32.6 38.4 38.0 131 134 A S E -kL 180 138D 3 7,-1.9 7,-3.0 -2,-0.3 50,-0.2 -0.991 11.2-176.0-138.6 143.1 34.2 41.8 37.6 132 135 A T > + 0 0 0 48,-2.5 3,-1.4 -2,-0.3 5,-0.2 0.081 34.1 148.9-124.2 20.2 36.5 43.3 35.1 133 136 A L G > S+ 0 0 13 47,-0.3 3,-1.0 1,-0.3 -2,-0.1 -0.312 70.3 10.1 -61.1 137.2 37.0 46.7 36.7 134 137 A R G 3 S- 0 0 139 1,-0.2 -1,-0.3 47,-0.1 3,-0.1 0.750 130.3 -66.7 66.0 27.7 40.4 48.3 36.1 135 138 A G G < S+ 0 0 2 -3,-1.4 2,-0.5 1,-0.2 -1,-0.2 0.620 107.9 111.2 73.7 12.3 41.4 45.8 33.5 136 139 A K < - 0 0 83 -3,-1.0 2,-0.6 -4,-0.1 -1,-0.2 -0.979 62.4-135.6-126.8 129.6 41.6 42.8 35.8 137 140 A V - 0 0 60 -2,-0.5 2,-0.4 -5,-0.2 -5,-0.2 -0.691 27.6-175.8 -81.1 115.1 39.2 39.8 35.8 138 141 A S B -L 131 0D 7 -7,-3.0 -7,-1.9 -2,-0.6 -5,-0.1 -0.910 24.3-173.2-115.4 143.4 38.2 38.9 39.4 139 142 A T + 0 0 102 -2,-0.4 2,-0.3 -9,-0.2 -10,-0.1 0.263 50.6 120.7-112.6 8.4 36.0 36.0 40.4 140 143 A K >> - 0 0 107 1,-0.1 4,-1.8 -9,-0.1 3,-1.4 -0.577 65.5-135.1 -79.1 132.2 35.9 37.2 44.1 141 144 A L H 3> S+ 0 0 96 -2,-0.3 4,-1.5 1,-0.3 -24,-0.1 0.858 103.5 60.5 -52.1 -41.5 32.4 37.9 45.5 142 145 A R H 34 S+ 0 0 158 1,-0.2 -1,-0.3 2,-0.2 -2,-0.0 0.795 109.5 42.5 -60.4 -28.7 33.6 41.1 47.1 143 146 A D H <4 S+ 0 0 24 -3,-1.4 -1,-0.2 1,-0.1 -2,-0.2 0.812 112.9 50.0 -88.5 -31.0 34.5 42.5 43.7 144 147 A a H < S+ 0 0 0 -4,-1.8 -29,-1.6 -15,-0.2 -2,-0.2 0.642 85.1 115.6 -81.7 -13.8 31.5 41.4 41.8 145 148 A A B < S-s 115 0E 16 -4,-1.5 2,-0.3 -5,-0.2 -29,-0.2 -0.257 76.0-108.8 -58.8 140.0 29.1 42.8 44.4 146 149 A D + 0 0 14 -31,-1.2 -32,-0.2 1,-0.1 -1,-0.1 -0.554 35.8 176.9 -72.1 126.9 26.8 45.6 43.2 147 150 A Q S S+ 0 0 114 -34,-1.0 -1,-0.1 -2,-0.3 -33,-0.1 0.321 78.4 36.3-113.2 4.6 27.9 48.9 44.8 148 151 A N S S- 0 0 48 -35,-0.3 36,-0.1 34,-0.1 -34,-0.1 0.690 93.1-127.0-121.3 -49.8 25.4 51.1 43.0 149 152 A G S > S+ 0 0 0 -36,-0.1 4,-1.7 -35,-0.1 5,-0.1 0.000 82.5 100.2 121.1 -28.7 22.1 49.2 42.6 150 153 A H H >> S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 3,-0.7 0.955 83.1 48.3 -52.5 -60.3 21.6 49.6 38.9 151 154 A G H 3> S+ 0 0 0 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.877 109.7 52.2 -50.8 -44.9 22.9 46.2 38.0 152 155 A T H 3> S+ 0 0 0 1,-0.2 4,-1.3 2,-0.2 156,-0.3 0.857 111.9 48.1 -60.8 -35.1 20.7 44.5 40.6 153 156 A H H S+ 0 0 0 -13,-3.2 3,-1.8 -14,-0.1 -1,-0.3 -0.707 77.3 178.4-125.7 75.2 12.5 35.0 32.2 172 175 A P T 3 S+ 0 0 4 0, 0.0 -10,-0.3 0, 0.0 -71,-0.1 0.524 80.7 43.7 -57.8 -8.9 12.3 34.2 36.0 173 176 A G T 3 S+ 0 0 10 -73,-2.5 -72,-0.2 -12,-0.1 2,-0.1 0.401 85.1 116.5-117.2 0.3 14.1 30.9 35.5 174 177 A V < - 0 0 0 -3,-1.8 -72,-0.2 -74,-0.7 2,-0.2 -0.438 67.9-111.4 -75.3 145.0 17.0 31.9 33.2 175 178 A Q E -i 107 0D 50 -69,-0.7 -67,-2.6 -74,-0.6 2,-0.4 -0.484 32.4-147.3 -74.1 139.8 20.6 31.7 34.4 176 179 A I E -ik 108 126D 1 -51,-3.6 -49,-1.7 -69,-0.2 -48,-1.6 -0.893 15.7-163.5-117.2 139.8 22.5 35.0 34.9 177 180 A Y E -ik 109 128D 8 -69,-3.0 -67,-3.1 -2,-0.4 2,-0.7 -0.970 16.4-158.1-113.7 108.5 26.1 36.0 34.4 178 181 A S E -ik 110 129D 0 -50,-2.5 -48,-2.6 -2,-0.6 2,-0.6 -0.828 10.5-174.9 -91.2 118.6 26.7 39.3 36.3 179 182 A V E -ik 111 130D 0 -69,-2.5 -67,-1.2 -2,-0.7 2,-0.6 -0.891 16.9-144.9-117.7 100.5 29.7 41.0 34.8 180 183 A R E +ik 112 131D 25 -50,-2.9 -48,-2.5 -2,-0.6 -47,-0.3 -0.496 40.1 147.3 -68.3 110.8 30.7 44.2 36.7 181 184 A V + 0 0 0 -69,-2.5 2,-0.4 -2,-0.6 8,-0.3 0.309 56.9 67.0-123.6 2.2 32.0 46.7 34.2 182 185 A L S S- 0 0 0 -70,-1.6 6,-0.2 6,-0.1 -49,-0.1 -0.951 76.9-127.6-125.4 145.9 30.7 49.9 35.9 183 186 A D > - 0 0 53 4,-2.7 3,-1.6 -2,-0.4 -36,-0.1 0.015 43.9 -79.9 -78.7-170.3 31.9 51.3 39.2 184 187 A A T 3 S+ 0 0 48 1,-0.3 -1,-0.1 2,-0.1 -71,-0.1 0.742 132.4 52.8 -64.5 -23.3 29.8 52.3 42.2 185 188 A R T 3 S- 0 0 228 2,-0.2 -1,-0.3 -37,-0.0 -120,-0.1 0.405 119.9-108.3 -93.1 1.3 29.0 55.6 40.5 186 189 A G S < S+ 0 0 0 -3,-1.6 -121,-1.9 1,-0.3 2,-0.4 0.647 76.4 134.8 81.6 15.2 27.8 53.8 37.3 187 190 A S E -D 64 0B 28 -123,-0.2 -4,-2.7 -74,-0.1 2,-0.4 -0.811 30.2-178.5-100.8 136.7 30.8 54.9 35.3 188 191 A G E -D 63 0B 3 -125,-2.9 -125,-3.1 -2,-0.4 2,-0.2 -0.991 23.6-132.5-139.5 140.7 32.7 52.5 33.1 189 192 A S E > -D 62 0B 24 -2,-0.4 4,-1.4 -8,-0.3 -127,-0.2 -0.620 25.7-124.8 -85.7 148.8 35.8 52.6 30.9 190 193 A Y H > S+ 0 0 2 -129,-2.8 4,-2.7 -2,-0.2 5,-0.2 0.830 109.9 59.8 -60.6 -32.8 35.5 51.1 27.4 191 194 A S H > S+ 0 0 0 -130,-0.3 4,-2.5 1,-0.2 5,-0.2 0.960 105.5 46.3 -62.2 -49.2 38.4 48.8 28.1 192 195 A D H > S+ 0 0 9 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.802 113.0 52.0 -62.3 -28.6 36.6 47.2 31.1 193 196 A I H X S+ 0 0 3 -4,-1.4 4,-2.2 2,-0.2 -1,-0.2 0.926 108.6 48.0 -73.8 -44.1 33.5 46.8 28.9 194 197 A A H X S+ 0 0 0 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.918 112.8 49.7 -61.2 -43.4 35.4 45.1 26.1 195 198 A I H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.850 108.7 54.3 -63.8 -32.9 37.0 42.8 28.6 196 199 A G H X S+ 0 0 0 -4,-1.3 4,-1.6 -5,-0.2 -2,-0.2 0.900 105.5 51.3 -67.9 -39.8 33.5 42.2 30.0 197 200 A I H X S+ 0 0 3 -4,-2.2 4,-1.1 1,-0.2 -2,-0.2 0.892 109.1 52.4 -63.4 -37.5 32.2 41.2 26.6 198 201 A E H X S+ 0 0 0 -4,-1.9 4,-3.2 1,-0.2 3,-0.3 0.883 106.5 51.6 -65.1 -40.7 35.1 38.7 26.3 199 202 A Q H X S+ 0 0 15 -4,-1.9 4,-2.8 1,-0.2 -1,-0.2 0.810 103.7 58.7 -66.7 -30.7 34.4 37.1 29.6 200 203 A A H < S+ 0 0 0 -4,-1.6 25,-2.0 2,-0.2 -1,-0.2 0.842 113.7 39.2 -66.6 -32.4 30.7 36.6 28.6 201 204 A I H < S+ 0 0 2 -4,-1.1 -2,-0.2 -3,-0.3 -1,-0.2 0.943 118.5 45.3 -80.4 -53.3 32.1 34.6 25.6 202 205 A L H <>S- 0 0 4 -4,-3.2 5,-0.6 4,-0.1 21,-0.3 0.868 94.6-171.3 -58.6 -39.8 34.9 32.8 27.4 203 206 A G T ><5 - 0 0 1 -4,-2.8 3,-1.9 -5,-0.2 21,-0.1 -0.043 45.8 -41.8 72.3-179.3 32.6 31.9 30.4 204 207 A P T 3 5S+ 0 0 62 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.839 136.5 54.1 -50.1 -42.4 33.6 30.4 33.8 205 208 A D T 3 5S- 0 0 56 -3,-0.3 -2,-0.2 2,-0.2 3,-0.1 0.543 104.7-129.0 -75.9 -4.5 36.1 27.9 32.2 206 209 A G T < 5S+ 0 0 34 -3,-1.9 2,-0.5 1,-0.2 -3,-0.2 0.471 73.4 109.3 73.3 1.1 37.9 30.6 30.4 207 210 A V < - 0 0 63 -5,-0.6 3,-0.5 1,-0.2 16,-0.3 -0.944 54.4-158.0-116.4 130.4 37.7 28.9 27.1 208 211 A A S S+ 0 0 17 -2,-0.5 2,-0.6 1,-0.3 16,-0.2 0.992 91.1 14.2 -64.6 -64.7 35.5 30.0 24.2 209 212 A D S > S+ 0 0 41 1,-0.2 3,-1.2 13,-0.1 -1,-0.3 -0.725 71.8 174.6-117.5 78.8 35.2 26.8 22.2 210 213 A K T 3 S+ 0 0 114 -2,-0.6 -1,-0.2 -3,-0.5 -2,-0.1 0.889 83.5 36.7 -49.3 -53.5 36.3 24.1 24.6 211 214 A D T 3 S- 0 0 66 4,-0.2 -1,-0.3 1,-0.0 -2,-0.0 0.414 104.8-131.7 -83.7 1.5 35.5 21.1 22.3 212 215 A G < + 0 0 57 -3,-1.2 -2,-0.1 1,-0.1 4,-0.1 0.895 62.5 135.1 49.2 51.7 36.5 23.1 19.3 213 216 A D S S- 0 0 67 2,-0.3 -1,-0.1 3,-0.0 3,-0.1 0.224 75.7-110.5-110.8 12.1 33.4 22.4 17.2 214 217 A G S S+ 0 0 66 1,-0.2 2,-0.5 -5,-0.1 -2,-0.0 0.329 87.1 112.0 78.0 -9.3 32.8 25.9 16.0 215 218 A I + 0 0 87 1,-0.2 -2,-0.3 3,-0.0 -1,-0.2 -0.866 27.1 150.8-102.5 126.0 29.7 26.2 18.2 216 219 A I > + 0 0 32 -2,-0.5 3,-1.6 35,-0.4 8,-0.3 0.686 61.0 47.0-113.4 -77.7 29.9 28.6 21.1 217 220 A A T 3 S+ 0 0 7 34,-2.0 -1,-0.4 1,-0.3 128,-0.2 -0.500 121.4 22.2 -69.3 136.2 26.5 30.1 22.0 218 221 A G T 3 S+ 0 0 9 -113,-0.4 -1,-0.3 6,-0.3 -112,-0.1 0.459 91.9 123.7 86.7 0.1 23.9 27.4 22.1 219 222 A D X - 0 0 7 -3,-1.6 3,-1.9 1,-0.1 5,-0.3 -0.849 49.4-159.2 -99.6 110.4 26.4 24.7 22.7 220 223 A P T 3 S+ 0 0 73 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.724 91.3 62.4 -57.6 -24.0 25.7 22.7 25.9 221 224 A D T 3 S+ 0 0 108 -3,-0.1 2,-0.2 2,-0.0 -5,-0.0 0.713 103.8 57.2 -75.5 -20.9 29.3 21.5 26.1 222 225 A D S < S- 0 0 11 -3,-1.9 -14,-0.1 -6,-0.2 -13,-0.1 -0.638 74.3-142.2-104.9 166.7 30.4 25.1 26.5 223 226 A D + 0 0 30 -16,-0.3 -6,-0.1 -21,-0.3 -15,-0.1 0.042 52.2 134.9-116.4 23.6 29.4 27.6 29.1 224 227 A A - 0 0 2 -8,-0.3 -6,-0.3 -5,-0.3 -23,-0.2 -0.341 58.0-111.3 -70.2 155.4 29.3 30.7 26.9 225 228 A A - 0 0 0 -25,-2.0 -117,-0.2 1,-0.1 3,-0.1 -0.494 12.9-153.0 -84.1 157.7 26.3 33.1 27.3 226 229 A E S S+ 0 0 1 -119,-2.6 28,-1.9 1,-0.2 2,-0.3 0.376 80.0 45.0-110.2 0.7 23.7 33.4 24.5 227 230 A V E -jm 108 254D 0 -120,-0.9 -118,-3.4 26,-0.2 2,-0.5 -0.987 58.8-166.8-147.7 134.0 22.7 37.0 25.4 228 231 A I E -jm 109 255D 1 26,-2.6 28,-2.8 -2,-0.3 2,-0.5 -0.973 12.0-169.2-123.6 114.0 24.7 40.1 26.3 229 232 A S E -jm 110 256D 0 -120,-2.8 -118,-1.9 -2,-0.5 2,-0.5 -0.919 5.2-176.8-110.2 124.4 22.7 42.9 27.8 230 233 A M E - m 0 257D 0 26,-3.0 28,-1.9 -2,-0.5 2,-1.2 -0.868 12.3-175.5-125.4 98.5 24.3 46.4 28.3 231 234 A S + 0 0 0 -2,-0.5 -165,-1.6 -120,-0.4 2,-0.3 -0.267 64.0 81.8 -85.3 49.2 22.2 49.1 29.9 232 235 A L E -E 65 0B 1 -2,-1.2 26,-0.3 -167,-0.2 2,-0.3 -0.923 52.9-178.1-145.2 169.4 25.0 51.6 29.3 233 236 A G E -E 64 0B 6 -169,-1.7 -169,-2.1 -2,-0.3 26,-0.1 -0.994 10.7-172.2-165.5 167.7 26.3 53.9 26.6 234 237 A G B -T 269 0F 4 35,-1.5 35,-2.7 -2,-0.3 -171,-0.1 -0.966 34.5-119.0-160.7 158.8 28.8 56.4 25.4 235 238 A P S S+ 0 0 122 0, 0.0 2,-0.2 0, 0.0 -172,-0.1 0.610 81.0 101.5 -80.5 -13.0 29.4 58.7 22.4 236 239 A A - 0 0 17 -174,-0.3 2,-0.5 33,-0.1 -2,-0.1 -0.451 53.8-161.0 -79.4 145.2 32.7 57.1 21.4 237 240 A D - 0 0 89 -2,-0.2 2,-0.4 32,-0.0 -1,-0.0 -0.909 17.2-176.4-124.2 98.7 33.1 54.6 18.6 238 241 A D > - 0 0 9 -2,-0.5 4,-2.1 1,-0.1 5,-0.2 -0.813 28.0-137.1-103.2 141.1 36.3 52.6 19.0 239 242 A S H > S+ 0 0 41 -2,-0.4 4,-2.4 1,-0.2 5,-0.1 0.896 102.7 49.1 -58.8 -45.1 37.6 50.0 16.6 240 243 A Y H > S+ 0 0 0 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.871 109.9 50.8 -66.6 -36.9 38.7 47.5 19.2 241 244 A L H > S+ 0 0 2 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.931 111.3 48.6 -66.1 -43.2 35.4 47.6 21.1 242 245 A Y H X S+ 0 0 64 -4,-2.1 4,-2.4 1,-0.2 5,-0.2 0.916 107.1 56.3 -62.3 -40.6 33.6 47.0 17.9 243 246 A D H X S+ 0 0 49 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.880 106.6 50.2 -58.0 -37.7 35.9 44.1 17.1 244 247 A M H X S+ 0 0 0 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.855 108.7 52.1 -68.6 -35.0 34.9 42.6 20.4 245 248 A I H X S+ 0 0 0 -4,-1.7 4,-3.0 2,-0.2 -2,-0.2 0.885 107.9 50.5 -67.1 -41.3 31.2 43.0 19.6 246 249 A I H X S+ 0 0 46 -4,-2.4 4,-3.3 1,-0.2 -1,-0.2 0.865 108.6 54.8 -63.5 -35.4 31.7 41.3 16.2 247 250 A Q H X S+ 0 0 70 -4,-1.6 4,-0.9 -5,-0.2 -2,-0.2 0.916 111.4 42.0 -64.8 -45.3 33.4 38.5 18.2 248 251 A A H <>S+ 0 0 0 -4,-2.0 5,-2.0 2,-0.2 3,-0.3 0.911 116.6 49.9 -68.9 -40.8 30.4 38.1 20.5 249 252 A Y H ><5S+ 0 0 48 -4,-3.0 3,-2.1 1,-0.2 -2,-0.2 0.927 108.4 51.2 -62.1 -47.5 28.1 38.4 17.5 250 253 A N H 3<5S+ 0 0 111 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.730 101.7 63.2 -62.9 -22.1 30.0 35.8 15.4 251 254 A A T 3<5S- 0 0 13 -4,-0.9 -34,-2.0 -3,-0.3 -35,-0.4 0.491 124.0-105.4 -80.7 -3.1 29.7 33.5 18.4 252 255 A G T < 5S+ 0 0 22 -3,-2.1 2,-0.5 1,-0.3 -3,-0.2 0.579 72.3 146.4 90.3 11.7 26.0 33.5 17.9 253 256 A I < - 0 0 0 -5,-2.0 2,-0.4 -6,-0.2 -1,-0.3 -0.710 46.9-133.1 -87.9 127.1 25.4 35.8 20.9 254 257 A V E -m 227 0D 0 -28,-1.9 -26,-2.6 -2,-0.5 2,-0.4 -0.651 22.4-153.1 -79.6 125.9 22.5 38.3 20.7 255 258 A I E -mn 228 276D 2 20,-0.6 22,-2.5 -2,-0.4 2,-0.4 -0.877 13.9-177.2-106.7 133.1 23.6 41.7 21.9 256 259 A V E +mn 229 277D 0 -28,-2.8 -26,-3.0 -2,-0.4 2,-0.3 -0.995 4.9 173.8-131.2 133.4 21.2 44.2 23.4 257 260 A A E -mn 230 278D 0 20,-2.8 22,-2.3 -2,-0.4 -26,-0.2 -0.981 34.1-100.3-141.6 153.0 22.0 47.8 24.5 258 261 A A E - n 0 279D 0 -28,-1.9 13,-0.4 -26,-0.3 10,-0.3 -0.401 24.5-135.3 -70.8 144.8 20.2 50.9 25.8 259 262 A S - 0 0 0 20,-2.3 9,-2.0 1,-0.2 21,-0.1 0.830 50.7-104.2 -69.9 -35.5 19.5 53.7 23.3 260 263 A G - 0 0 0 19,-0.3 33,-3.0 7,-0.2 3,-0.3 -0.251 13.3-114.0 119.7 151.9 20.5 56.5 25.6 261 264 A N S S+ 0 0 41 31,-0.2 31,-0.2 1,-0.2 -1,-0.1 -0.084 86.9 91.6-112.1 34.3 18.7 59.1 27.7 262 265 A E S S- 0 0 114 2,-0.0 30,-0.2 0, 0.0 -1,-0.2 0.417 91.3-120.9-105.8 -0.3 19.6 62.4 25.9 263 266 A G + 0 0 35 28,-2.4 29,-0.2 -3,-0.3 30,-0.1 0.739 58.1 166.1 65.9 20.3 16.7 62.5 23.5 264 267 A A - 0 0 29 27,-0.3 30,-2.8 2,-0.1 -1,-0.1 -0.084 51.3-108.2 -64.8 165.0 19.4 62.5 20.8 265 268 A P S S+ 0 0 99 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.830 97.9 18.5 -64.8 -33.7 18.8 61.9 17.1 266 269 A S S S- 0 0 61 1,-0.1 28,-0.2 -7,-0.0 29,-0.2 -0.881 92.4 -79.5-136.3 168.0 20.4 58.5 17.2 267 270 A P - 0 0 19 0, 0.0 -7,-0.2 0, 0.0 -8,-0.1 -0.191 40.2-123.0 -65.4 157.3 21.5 55.7 19.6 268 271 A S > - 0 0 18 -9,-2.0 4,-2.0 -10,-0.3 5,-0.1 -0.328 52.3 -47.6 -86.8 178.5 24.6 55.8 21.7 269 272 A Y B 4 S+T 234 0F 60 -35,-2.7 -35,-1.5 1,-0.3 -33,-0.1 -0.733 119.6 17.4 -97.4 149.9 27.3 53.1 21.5 270 273 A P T >4 S+ 0 0 6 0, 0.0 3,-1.7 0, 0.0 -1,-0.3 -0.994 124.5 59.7 -79.3 1.1 27.4 50.1 21.6 271 274 A A T 34 S+ 0 0 2 -13,-0.4 -2,-0.3 -39,-0.3 7,-0.2 0.862 98.4 63.1 -54.5 -36.9 23.6 50.3 20.8 272 275 A A T 3< S+ 0 0 36 -4,-2.0 -1,-0.3 5,-0.1 -3,-0.2 0.688 79.8 100.3 -63.1 -22.7 24.5 52.2 17.6 273 276 A Y S X S- 0 0 11 -3,-1.7 3,-1.7 -5,-0.1 5,-0.1 -0.438 78.7-128.5 -68.0 139.3 26.4 49.2 16.1 274 277 A P T 3 S+ 0 0 75 0, 0.0 77,-0.3 0, 0.0 -1,-0.1 0.773 107.9 56.1 -59.0 -28.6 24.4 47.2 13.6 275 278 A E T 3 S+ 0 0 29 75,-0.1 -20,-0.6 2,-0.1 2,-0.3 0.615 100.5 75.8 -79.8 -10.5 25.1 43.9 15.3 276 279 A V E < S-n 255 0D 2 -3,-1.7 2,-0.7 -6,-0.2 -20,-0.2 -0.796 83.2-124.5-104.6 142.4 23.7 45.3 18.5 277 280 A I E -n 256 0D 1 -22,-2.5 -20,-2.8 -2,-0.3 2,-0.5 -0.754 22.1-147.6 -87.7 114.3 20.0 45.8 19.3 278 281 A A E -n 257 0D 6 -2,-0.7 19,-2.1 -7,-0.2 20,-1.9 -0.680 14.8-153.9 -80.3 125.3 19.3 49.5 20.2 279 282 A V E -no 258 298D 0 -22,-2.3 -20,-2.3 -2,-0.5 -19,-0.3 -0.891 8.0-164.6-111.7 122.9 16.4 49.7 22.8 280 283 A G E - o 0 299D 0 18,-3.2 20,-1.9 -2,-0.5 2,-0.4 -0.492 20.0-118.7 -92.8 167.6 14.2 52.7 23.2 281 284 A A E - o 0 300D 0 18,-0.2 8,-3.4 8,-0.2 2,-0.2 -0.907 23.6-175.7-117.9 135.4 11.9 53.4 26.2 282 285 A I E -Po 288 301D 0 18,-1.9 20,-2.6 -2,-0.4 21,-0.7 -0.714 18.6-130.2-115.0 169.3 8.1 53.7 26.4 283 286 A D > - 0 0 37 4,-2.3 3,-2.0 -2,-0.2 21,-0.1 -0.476 41.3 -81.6-110.3-176.6 5.9 54.6 29.4 284 287 A S T 3 S+ 0 0 84 1,-0.3 20,-0.0 -2,-0.2 -2,-0.0 0.558 127.8 55.5 -65.2 -6.6 2.8 53.1 30.9 285 288 A N T 3 S- 0 0 119 2,-0.2 -1,-0.3 0, 0.0 3,-0.1 0.193 118.2-107.5-109.5 15.6 0.7 54.9 28.3 286 289 A D S < S+ 0 0 45 -3,-2.0 2,-0.3 1,-0.3 -2,-0.1 0.696 76.8 135.3 68.1 18.7 2.6 53.5 25.3 287 290 A N - 0 0 88 83,-0.0 -4,-2.3 1,-0.0 -1,-0.3 -0.767 62.1-111.8 -96.3 147.9 4.2 56.8 24.6 288 291 A I B -P 282 0D 26 -2,-0.3 -6,-0.3 -6,-0.2 2,-0.1 -0.578 38.0-108.2 -76.2 137.8 7.9 56.9 23.8 289 292 A A > - 0 0 7 -8,-3.4 3,-0.9 -2,-0.2 -8,-0.2 -0.473 19.4-133.4 -67.5 138.1 9.9 58.6 26.6 290 293 A S T 3 S+ 0 0 102 1,-0.2 -1,-0.1 -2,-0.1 -2,-0.0 0.802 106.6 54.6 -63.7 -28.0 11.1 62.0 25.6 291 294 A F T 3 S+ 0 0 51 -29,-0.1 -28,-2.4 -28,-0.1 -27,-0.3 0.694 82.1 110.5 -77.3 -19.7 14.6 61.2 27.0 292 295 A S S < S- 0 0 1 -3,-0.9 -31,-0.2 -11,-0.2 -12,-0.1 -0.409 77.0-118.3 -63.1 117.6 14.8 58.0 24.9 293 296 A N - 0 0 1 -33,-3.0 -1,-0.1 -2,-0.3 -12,-0.1 -0.318 37.5-112.2 -57.5 135.9 17.4 58.5 22.1 294 297 A R S S+ 0 0 59 -30,-2.8 84,-0.2 -28,-0.2 -1,-0.1 -0.061 84.4 40.4 -71.1 168.0 15.9 58.2 18.7 295 298 A Q S S+ 0 0 95 82,-3.0 -1,-0.2 -29,-0.2 83,-0.1 0.898 72.2 165.7 62.4 49.0 16.2 55.6 15.9 296 299 A P - 0 0 0 0, 0.0 -17,-0.2 0, 0.0 80,-0.1 -0.351 45.1-127.0 -86.2 173.2 16.2 52.4 18.0 297 300 A E S S- 0 0 3 -19,-2.1 84,-2.7 1,-0.3 2,-0.3 0.888 87.5 -13.6 -83.5 -44.5 15.7 48.9 16.7 298 301 A V E -o 279 0D 0 -20,-1.9 -18,-3.2 82,-0.3 2,-0.3 -0.864 65.6-133.2-145.5 177.2 12.9 48.2 19.2 299 302 A S E +oq 280 383D 0 83,-2.2 85,-1.8 -2,-0.3 -18,-0.2 -0.939 19.9 171.3-137.6 159.1 11.3 49.7 22.4 300 303 A A E -o 281 0D 0 -20,-1.9 -18,-1.9 -2,-0.3 23,-0.1 -0.963 49.9 -53.1-158.5 167.6 10.2 48.3 25.8 301 304 A P E +o 282 0D 0 0, 0.0 25,-0.2 0, 0.0 -18,-0.2 -0.265 59.3 151.4 -52.1 120.9 9.0 49.6 29.2 302 305 A G + 0 0 0 -20,-2.6 17,-3.0 21,-0.1 2,-0.5 0.280 40.6 85.8-138.4 12.4 11.5 52.1 30.5 303 306 A V S S- 0 0 29 -21,-0.7 15,-0.2 15,-0.2 -19,-0.1 -0.972 102.7 -10.0-123.5 122.3 9.6 54.5 32.8 304 307 A D S S+ 0 0 67 -2,-0.5 2,-0.6 1,-0.2 -1,-0.2 0.978 80.6 178.4 56.7 63.6 8.9 53.8 36.5 305 308 A I E -H 317 0C 1 12,-3.0 12,-2.4 -3,-0.2 2,-0.4 -0.868 18.7-147.0-102.7 119.0 10.1 50.2 36.5 306 309 A L E +H 316 0C 36 -2,-0.6 2,-0.3 10,-0.2 10,-0.2 -0.674 36.5 135.3 -85.6 133.8 10.0 48.3 39.8 307 310 A S E -H 315 0C 0 8,-1.9 8,-2.4 -2,-0.4 -154,-0.1 -0.905 53.9 -52.0-158.3-174.0 12.6 45.7 40.3 308 311 A T E -H 314 0C 0 -156,-0.3 6,-0.3 -155,-0.3 -152,-0.2 -0.333 48.0-171.6 -69.3 151.7 15.1 44.3 42.8 309 312 A Y E > -H 313 0C 27 4,-2.5 4,-2.5 -233,-0.1 -160,-0.1 -0.974 35.5 -72.2-143.7 152.7 17.6 46.6 44.6 310 313 A P T 4 S+ 0 0 23 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.006 110.7 38.8 -46.5 148.9 20.7 45.9 46.8 311 314 A D T 4 S- 0 0 140 1,-0.2 3,-0.1 2,-0.1 -192,-0.0 0.938 133.4 -65.9 72.1 50.7 20.1 44.7 50.4 312 315 A D T 4 S+ 0 0 86 1,-0.1 -1,-0.2 -196,-0.1 2,-0.2 0.843 108.4 122.3 39.4 48.6 17.2 42.4 49.5 313 316 A S E < - H 0 309C 13 -4,-2.5 -4,-2.5 -236,-0.1 2,-0.3 -0.518 54.1-130.1-123.3-170.0 15.2 45.4 48.6 314 317 A Y E +GH 76 308C 10 -238,-1.5 -238,-3.0 -6,-0.3 2,-0.3 -0.992 20.6 177.5-146.5 150.1 13.2 46.8 45.6 315 318 A E E - H 0 307C 12 -8,-2.4 -8,-1.9 -2,-0.3 2,-0.5 -0.995 28.0-119.6-154.2 157.3 13.1 50.2 43.8 316 319 A T E + H 0 306C 13 -2,-0.3 -246,-2.6 -10,-0.2 -245,-0.5 -0.876 36.9 173.0-103.0 123.7 11.6 52.0 40.9 317 320 A L E -FH 69 305C 2 -12,-2.4 -12,-3.0 -2,-0.5 2,-0.3 -0.742 16.7-149.0-122.9 173.8 13.9 53.4 38.2 318 321 A M E +F 68 0C 69 -250,-1.9 -250,-2.5 -2,-0.2 -15,-0.2 -0.987 40.2 81.5-143.8 149.9 13.7 55.0 34.8 319 322 A G S >> S- 0 0 2 -17,-3.0 3,-1.3 -2,-0.3 4,-0.8 -0.714 85.1 -76.2 140.5 169.5 15.8 55.1 31.7 320 323 A T H 3> S+ 0 0 0 -254,-0.3 4,-2.0 1,-0.3 -253,-0.2 0.730 122.9 73.0 -71.1 -14.7 16.6 53.2 28.5 321 324 A A H 34 S+ 0 0 0 -255,-2.2 -1,-0.3 1,-0.2 -254,-0.2 0.782 96.1 49.7 -66.3 -26.6 18.6 51.1 30.9 322 325 A M H <> S+ 0 0 0 -3,-1.3 4,-0.6 -256,-0.4 -1,-0.2 0.755 108.3 51.1 -83.0 -28.1 15.3 49.7 32.2 323 326 A A H >X S+ 0 0 0 -4,-0.8 4,-1.5 -21,-0.2 3,-0.7 0.900 99.2 66.3 -75.7 -39.6 13.9 48.9 28.7 324 327 A T H 3X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 3,-0.3 0.901 97.8 50.5 -46.7 -56.3 17.0 46.9 27.6 325 328 A P H 3> S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.829 103.9 60.5 -57.4 -32.0 16.6 44.0 30.1 326 329 A H H - 0 0 66 1,-0.0 3,-0.8 -73,-0.0 -1,-0.1 -0.642 33.0 -94.9-121.4 177.3 20.3 41.8 11.4 351 354 A F T 3 S+ 0 0 63 -77,-0.3 -2,-0.0 1,-0.2 -1,-0.0 0.891 124.0 47.0 -59.1 -45.4 18.4 45.1 11.8 352 355 A D T 3 S+ 0 0 122 2,-0.0 -1,-0.2 12,-0.0 -3,-0.0 0.523 84.9 126.6 -76.9 -6.9 16.6 44.8 8.5 353 356 A D < + 0 0 29 -3,-0.8 11,-0.1 1,-0.1 12,-0.1 -0.234 25.4 165.3 -54.0 137.7 15.6 41.2 9.3 354 357 A I + 0 0 117 10,-0.1 2,-0.2 11,-0.0 -1,-0.1 0.004 41.1 96.5-146.1 30.1 11.9 40.6 9.0 355 358 A S S > S- 0 0 41 1,-0.0 3,-0.6 10,-0.0 10,-0.2 -0.732 75.9-120.2-118.2 169.8 11.5 36.8 9.0 356 359 A K T 3 S+ 0 0 122 -2,-0.2 39,-0.0 1,-0.2 6,-0.0 0.138 99.4 81.3 -94.9 19.3 10.8 34.2 11.6 357 360 A N T 3 S+ 0 0 117 -11,-0.1 2,-0.3 0, 0.0 -1,-0.2 0.397 90.5 54.8-102.0 0.4 14.1 32.4 10.9 358 361 A T S <> S- 0 0 14 -3,-0.6 4,-2.5 1,-0.1 -10,-0.2 -0.945 78.5-126.6-135.0 153.2 16.1 34.9 13.1 359 362 A V H > S+ 0 0 0 -12,-2.0 4,-2.0 -2,-0.3 -1,-0.1 0.974 115.4 37.6 -61.3 -55.1 15.9 36.2 16.7 360 363 A R H > S+ 0 0 2 -13,-0.2 4,-2.5 2,-0.2 5,-0.2 0.878 113.4 57.5 -65.8 -36.8 15.9 39.8 15.6 361 364 A G H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.935 109.3 46.2 -57.5 -45.0 13.7 39.0 12.6 362 365 A I H X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.863 110.1 53.2 -64.9 -38.6 11.1 37.6 15.1 363 366 A L H X S+ 0 0 0 -4,-2.0 4,-0.6 2,-0.2 -2,-0.2 0.907 111.9 46.1 -64.1 -41.8 11.4 40.5 17.4 364 367 A H H >< S+ 0 0 7 -4,-2.5 3,-0.9 1,-0.2 -2,-0.2 0.967 114.8 43.4 -66.1 -55.7 10.7 43.0 14.6 365 368 A I H 3< S+ 0 0 66 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.795 119.2 42.9 -63.2 -32.1 7.7 41.2 13.0 366 369 A T H 3< S+ 0 0 14 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.456 89.7 113.2 -93.9 -1.8 6.0 40.3 16.3 367 370 A A S << S- 0 0 7 -3,-0.9 2,-1.1 -4,-0.6 17,-0.2 -0.338 81.9-104.4 -68.6 151.0 6.6 43.8 17.9 368 371 A D B -R 383 0D 41 15,-2.9 15,-1.9 1,-0.1 2,-0.7 -0.686 37.3-140.1 -79.0 101.9 3.6 46.0 18.6 369 372 A D + 0 0 64 -2,-1.1 2,-0.2 13,-0.2 13,-0.2 -0.529 32.4 172.2 -69.0 105.6 3.9 48.5 15.8 370 373 A L + 0 0 30 -2,-0.7 9,-0.2 10,-0.1 -83,-0.0 -0.562 42.6 16.7-107.8 174.8 3.0 51.9 17.3 371 374 A G S S+ 0 0 50 -2,-0.2 3,-0.1 7,-0.1 4,-0.0 -0.207 121.0 8.7 58.2-155.2 3.2 55.4 15.9 372 375 A P S S- 0 0 83 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 -0.299 102.6 -87.8 -57.0 134.6 3.6 55.7 12.1 373 376 A T S S+ 0 0 138 -4,-0.1 -3,-0.1 3,-0.0 2,-0.0 -0.052 94.9 6.4 -44.4 137.6 3.2 52.2 10.4 374 377 A G S S- 0 0 32 7,-0.1 -4,-0.1 -3,-0.1 6,-0.1 -0.243 119.1 -11.9 81.0-172.6 6.4 50.2 10.2 375 378 A W S S+ 0 0 92 -6,-0.1 2,-0.3 4,-0.1 6,-0.2 -0.338 71.6 178.4 -60.6 138.4 9.7 51.1 11.7 376 379 A D B > -U 380 0G 9 4,-1.1 4,-1.4 -80,-0.1 6,-0.1 -0.943 42.8-106.9-140.1 163.0 9.9 54.7 13.0 377 380 A A T 4 S+ 0 0 41 -2,-0.3 -82,-3.0 2,-0.1 4,-0.1 0.662 113.5 43.1 -64.5 -17.6 12.5 56.9 14.7 378 381 A D T 4 S+ 0 0 54 -84,-0.2 -1,-0.1 2,-0.2 3,-0.1 0.937 128.5 15.8 -92.7 -64.5 10.6 56.7 18.0 379 382 A Y T >4 S- 0 0 24 1,-0.3 3,-1.6 -9,-0.2 2,-0.3 0.587 87.6-152.9 -86.9 -13.8 9.4 53.2 18.7 380 383 A G B 3< S-U 376 0G 0 -4,-1.4 -4,-1.1 1,-0.3 -1,-0.3 -0.578 74.8 -14.6 72.8-136.6 11.6 51.5 16.1 381 384 A Y T 3 S- 0 0 35 -84,-2.7 -1,-0.3 1,-0.3 2,-0.3 0.665 117.4 -99.5 -72.8 -13.7 9.9 48.3 15.0 382 385 A G < - 0 0 0 -3,-1.6 -83,-2.2 -13,-0.2 2,-0.5 -0.805 58.2 -27.8 128.7-171.5 7.6 48.6 18.0 383 386 A V B -qR 299 368D 0 -15,-1.9 -15,-2.9 -2,-0.3 -83,-0.2 -0.722 66.9-113.1 -87.1 124.2 7.2 47.2 21.5 384 387 A V - 0 0 0 -85,-1.8 2,-0.4 -2,-0.5 -17,-0.1 -0.212 28.1-163.9 -56.1 137.9 8.6 43.7 22.1 385 388 A R > - 0 0 66 -22,-0.2 4,-2.5 1,-0.1 -294,-0.2 -0.909 9.8-169.1-131.8 104.7 6.1 41.0 22.8 386 389 A A H > S+ 0 0 0 -296,-3.3 4,-2.7 -2,-0.4 5,-0.3 0.908 85.2 56.3 -57.7 -48.4 7.4 37.7 24.3 387 390 A A H > S+ 0 0 25 -296,-1.4 4,-1.4 -297,-0.4 -1,-0.2 0.905 115.1 36.8 -54.8 -47.0 4.2 35.7 23.8 388 391 A L H > S+ 0 0 80 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.888 114.1 57.4 -73.4 -38.0 4.0 36.4 20.0 389 392 A A H X S+ 0 0 0 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.905 108.1 46.6 -58.7 -42.9 7.8 36.2 19.6 390 393 A V H X S+ 0 0 1 -4,-2.7 4,-2.4 2,-0.2 5,-0.3 0.885 109.4 53.8 -69.1 -38.3 7.8 32.6 21.1 391 394 A Q H X S+ 0 0 109 -4,-1.4 4,-1.6 -5,-0.3 -1,-0.2 0.905 109.8 47.6 -63.6 -39.3 4.9 31.4 19.0 392 395 A A H < S+ 0 0 10 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.846 111.3 52.5 -69.1 -32.3 6.6 32.5 15.8 393 396 A A H < S+ 0 0 4 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.907 119.0 33.2 -69.3 -43.7 9.9 30.9 16.9 394 397 A L H < 0 0 30 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.640 360.0 360.0 -86.1 -16.8 8.2 27.5 17.6 395 398 A G < 0 0 106 -4,-1.6 -2,-0.2 -5,-0.3 -1,-0.2 0.919 360.0 360.0 -60.8 360.0 5.8 28.0 14.7