==== 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(CARBOXYLIC ESTERASE) 18-NOV-93 1TRH . COMPND 2 MOLECULE: LIPASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CANDIDA RUGOSA; . AUTHOR P.GROCHULSKI,M.CYGLER . 534 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17261.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 346 64.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 8.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 34 6.4 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 . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 31 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 135 25.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.1 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 2 1 2 2 2 2 3 2 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 0 3 1 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 PARALLEL BRIDGES PER LADDER . 3 2 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 A A 0 0 105 0, 0.0 14,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 130.6 118.3 75.8 -9.5 2 2 A P - 0 0 15 0, 0.0 12,-2.5 0, 0.0 2,-0.3 -0.371 360.0-167.0 -60.9 149.5 116.2 75.2 -12.7 3 3 A T E -A 13 0A 78 10,-0.2 2,-0.3 -2,-0.1 10,-0.2 -0.857 11.5-175.8-133.0 163.5 116.0 77.9 -15.4 4 4 A A E -A 12 0A 6 8,-1.7 8,-2.7 -2,-0.3 2,-0.6 -0.936 20.1-138.1-158.0 143.5 113.9 78.5 -18.5 5 5 A T E -A 11 0A 67 190,-0.3 6,-0.3 -2,-0.3 5,-0.1 -0.947 26.2-133.8-110.6 118.2 114.2 81.3 -21.1 6 6 A L > - 0 0 10 4,-2.8 3,-2.7 -2,-0.6 186,-0.1 -0.120 30.3 -95.2 -65.7 167.1 110.8 82.7 -22.1 7 7 A A T 3 S+ 0 0 76 1,-0.3 -1,-0.1 2,-0.1 185,-0.1 0.750 125.6 53.3 -54.1 -28.6 109.8 83.3 -25.6 8 8 A N T 3 S- 0 0 102 2,-0.1 -1,-0.3 184,-0.0 -2,-0.1 0.338 123.4-101.0 -92.0 2.8 110.9 86.9 -25.4 9 9 A G S < S+ 0 0 42 -3,-2.7 2,-0.3 1,-0.3 -2,-0.1 0.366 74.5 139.7 94.6 -3.2 114.4 86.0 -24.2 10 10 A D - 0 0 18 39,-0.1 -4,-2.8 -5,-0.1 2,-0.6 -0.610 42.6-145.8 -77.2 131.3 114.0 86.6 -20.4 11 11 A T E -A 5 0A 52 -2,-0.3 39,-2.6 -6,-0.3 2,-0.3 -0.880 19.8-173.6 -97.9 124.6 115.8 83.9 -18.4 12 12 A I E -A 4 0A 0 -8,-2.7 -8,-1.7 -2,-0.6 2,-0.3 -0.807 15.7-138.9-117.6 153.6 114.1 83.0 -15.1 13 13 A T E +Ab 3 52A 31 38,-2.1 40,-2.8 -2,-0.3 -10,-0.2 -0.848 22.3 178.1-110.9 146.5 115.1 80.8 -12.2 14 14 A G - 0 0 3 -12,-2.5 2,-0.4 -2,-0.3 9,-0.2 -0.472 31.5 -73.1-128.9-154.6 112.7 78.4 -10.4 15 15 A L E -C 22 0B 66 7,-3.2 7,-2.2 38,-0.4 2,-0.8 -0.875 19.8-143.3-120.4 137.4 112.9 75.9 -7.6 16 16 A N E +C 21 0B 87 -2,-0.4 5,-0.2 5,-0.2 3,-0.0 -0.840 22.6 172.2 -95.3 108.8 114.3 72.4 -7.3 17 17 A A - 0 0 40 3,-2.2 2,-2.5 -2,-0.8 4,-0.2 0.186 43.1-126.1-100.7 15.1 111.9 70.5 -5.0 18 18 A I S S+ 0 0 130 1,-0.2 -1,-0.1 2,-0.2 3,-0.1 -0.292 106.8 52.3 71.1 -55.2 113.6 67.1 -5.7 19 19 A I S S- 0 0 89 -2,-2.5 2,-0.3 1,-0.1 -1,-0.2 0.630 130.7 -10.3 -87.1 -5.4 110.3 65.4 -6.7 20 20 A N - 0 0 14 85,-0.2 -3,-2.2 -5,-0.0 2,-0.4 -0.941 69.2-112.4-169.3 177.7 109.6 68.2 -9.3 21 21 A E E -CD 16 104B 25 83,-2.2 83,-2.3 -2,-0.3 2,-0.4 -0.994 31.7-155.4-128.1 129.7 110.8 71.6 -10.3 22 22 A A E -CD 15 103B 5 -7,-2.2 -7,-3.2 -2,-0.4 2,-0.6 -0.891 21.3-169.8-117.9 134.4 108.6 74.7 -9.8 23 23 A F E - D 0 102B 0 79,-2.9 79,-2.7 -2,-0.4 2,-0.5 -0.925 33.1-175.6-117.2 97.6 108.4 78.1 -11.5 24 24 A L E +eD 54 101B 13 29,-2.4 31,-0.8 -2,-0.6 77,-0.2 -0.848 48.2 9.7-110.1 126.9 106.0 79.8 -9.1 25 25 A G E + 0 0 11 75,-0.5 -1,-0.2 -2,-0.5 76,-0.2 0.816 67.0 168.3 90.7 33.6 104.4 83.2 -9.2 26 26 A I E - D 0 100B 0 74,-2.3 74,-2.3 -3,-0.3 -1,-0.2 -0.646 34.3-127.2 -81.8 123.5 105.3 84.4 -12.8 27 27 A P E + D 0 99B 26 0, 0.0 72,-0.2 0, 0.0 3,-0.1 -0.494 32.6 171.5 -69.0 138.3 103.2 87.6 -13.7 28 28 A F + 0 0 5 70,-1.7 16,-1.6 1,-0.2 2,-0.3 0.463 61.9 34.9-124.8 -8.4 101.3 87.3 -16.9 29 29 A A B S-O 43 0C 3 69,-0.9 -1,-0.2 14,-0.3 15,-0.1 -0.924 89.8 -91.9-141.1 162.6 99.2 90.5 -16.8 30 30 A E - 0 0 54 12,-2.8 12,-0.4 -2,-0.3 14,-0.1 -0.575 62.2 -85.0 -67.8 142.5 99.5 94.1 -15.6 31 31 A P - 0 0 37 0, 0.0 2,-2.2 0, 0.0 65,-0.2 -0.319 38.8-135.4 -49.6 119.8 98.2 94.6 -11.9 32 32 A P + 0 0 6 0, 0.0 6,-0.2 0, 0.0 2,-0.2 -0.312 58.1 136.7 -81.8 58.7 94.5 95.1 -12.4 33 33 A V > - 0 0 66 -2,-2.2 3,-2.1 4,-0.1 4,-0.1 -0.649 54.9 -8.2-109.1 159.3 94.5 98.0 -9.9 34 34 A G G > S+ 0 0 30 1,-0.3 3,-2.0 -2,-0.2 247,-0.1 -0.280 136.9 3.3 58.9-120.3 92.9 101.5 -9.9 35 35 A N G 3 S+ 0 0 104 1,-0.3 -1,-0.3 245,-0.1 244,-0.1 0.482 126.5 66.1 -81.6 4.0 91.3 102.2 -13.3 36 36 A L G X S+ 0 0 57 -3,-2.1 3,-1.9 -5,-0.1 -1,-0.3 0.490 76.6 125.6 -87.3 -6.5 92.2 98.7 -14.6 37 37 A R T < S+ 0 0 13 -3,-2.0 -4,-0.1 1,-0.3 3,-0.1 -0.230 82.1 0.2 -52.6 138.3 89.7 97.4 -11.9 38 38 A F T 3 S+ 0 0 5 123,-0.5 -1,-0.3 -6,-0.2 139,-0.2 0.386 109.0 117.8 63.1 0.5 87.0 95.2 -13.5 39 39 A K S < S- 0 0 68 -3,-1.9 -1,-0.2 1,-0.1 135,-0.1 -0.499 77.9 -76.3 -94.0 168.4 88.5 95.6 -17.0 40 40 A D - 0 0 74 -2,-0.1 -1,-0.1 133,-0.1 2,-0.1 -0.250 59.9 -99.2 -54.4 144.3 90.0 93.0 -19.3 41 41 A P - 0 0 22 0, 0.0 -1,-0.1 0, 0.0 -12,-0.0 -0.392 32.5-141.0 -69.4 147.0 93.5 91.9 -18.3 42 42 A V - 0 0 60 -12,-0.4 -12,-2.8 -2,-0.1 3,-0.1 -0.927 27.1-101.0-111.3 132.2 96.4 93.5 -20.1 43 43 A P B -O 29 0C 76 0, 0.0 2,-0.6 0, 0.0 -14,-0.3 -0.124 43.5-100.7 -41.4 136.1 99.5 91.4 -21.1 44 44 A Y - 0 0 79 -16,-1.6 2,-0.5 -15,-0.1 -15,-0.0 -0.537 38.7-173.6 -70.8 118.2 102.5 91.9 -18.8 45 45 A S + 0 0 91 -2,-0.6 2,-0.2 -3,-0.1 -3,-0.0 -0.952 46.1 87.6-105.9 126.2 105.0 94.2 -20.4 46 46 A G S S- 0 0 45 -2,-0.5 2,-0.4 -16,-0.0 -2,-0.0 -0.736 79.2 -87.1 152.2 159.2 108.1 94.3 -18.2 47 47 A S + 0 0 69 -2,-0.2 -2,-0.1 1,-0.1 0, 0.0 -0.766 27.1 178.2-101.2 139.7 111.2 92.2 -17.9 48 48 A L > + 0 0 5 -2,-0.4 3,-2.2 3,-0.1 -1,-0.1 0.291 40.4 135.1-108.7 1.8 111.4 89.1 -15.8 49 49 A D T 3 S+ 0 0 88 1,-0.3 -37,-0.2 -37,-0.1 3,-0.1 -0.197 73.3 11.2 -62.5 129.9 115.0 88.5 -16.8 50 50 A G T 3 S+ 0 0 61 -39,-2.6 -1,-0.3 1,-0.3 -38,-0.1 0.229 98.8 129.9 91.2 -15.6 117.2 87.6 -13.9 51 51 A Q < - 0 0 80 -3,-2.2 -38,-2.1 -40,-0.2 2,-0.4 -0.325 52.2-135.1 -76.1 153.9 114.3 87.0 -11.5 52 52 A K B -b 13 0A 148 -40,-0.2 2,-0.5 -3,-0.1 -38,-0.2 -0.883 9.9-165.6-109.2 136.9 113.6 84.0 -9.3 53 53 A F + 0 0 17 -40,-2.8 -29,-2.4 -2,-0.4 -38,-0.4 -0.737 36.0 138.0-125.3 79.3 110.2 82.5 -9.1 54 54 A T B +e 24 0B 58 -2,-0.5 2,-0.3 -40,-0.2 -1,-0.1 0.439 56.9 37.9-109.2 0.1 110.4 80.3 -6.1 55 55 A S S S- 0 0 80 -31,-0.8 2,-0.1 -3,-0.1 -1,-0.1 -0.986 84.3 -92.1-151.0 153.2 107.1 80.8 -4.3 56 56 A Y - 0 0 70 -2,-0.3 3,-0.1 1,-0.1 -32,-0.1 -0.477 40.7-132.0 -61.5 136.1 103.4 81.3 -4.9 57 57 A G - 0 0 24 1,-0.2 74,-0.2 -2,-0.1 40,-0.1 -0.225 42.9 -70.2 -71.1 175.5 102.3 84.9 -5.1 58 58 A P - 0 0 44 0, 0.0 35,-0.3 0, 0.0 -1,-0.2 -0.357 52.4-115.3 -63.2 147.8 99.2 86.2 -3.1 59 59 A S B -p 93 0D 1 33,-2.6 35,-2.0 1,-0.2 70,-0.1 -0.291 40.5 -89.7 -68.9 171.4 95.8 85.0 -4.3 60 60 A a - 0 0 5 68,-0.4 35,-0.2 96,-0.3 -1,-0.2 -0.290 67.1 -62.6 -74.4 170.4 93.3 87.5 -5.6 61 61 A M - 0 0 11 33,-0.3 97,-0.4 32,-0.2 2,-0.3 -0.299 58.3-141.7 -61.0 137.9 90.9 89.2 -3.1 62 62 A Q - 0 0 9 28,-0.2 2,-0.4 -3,-0.1 65,-0.2 -0.743 3.2-139.0-104.2 145.2 88.6 86.8 -1.4 63 63 A Q - 0 0 0 63,-2.3 63,-0.1 -2,-0.3 96,-0.1 -0.889 32.9-110.3 -99.0 137.1 84.9 87.2 -0.5 64 64 A N - 0 0 89 -2,-0.4 24,-0.1 1,-0.1 63,-0.0 -0.486 24.1-145.9 -64.8 122.6 83.9 85.7 3.0 65 65 A P - 0 0 12 0, 0.0 232,-2.0 0, 0.0 233,-0.4 0.804 19.0-143.0 -64.4 -30.3 81.7 82.7 2.2 66 66 A E + 0 0 84 1,-0.2 2,-0.2 231,-0.2 233,-0.1 0.824 35.0 165.2 69.0 40.4 79.4 83.1 5.2 67 67 A G - 0 0 21 20,-0.2 -1,-0.2 1,-0.1 231,-0.1 -0.579 35.3-169.8 -89.1 157.5 78.8 79.5 6.2 68 68 A T > + 0 0 62 229,-0.4 3,-2.5 -2,-0.2 4,-0.3 0.446 58.1 111.1-114.1 -8.2 77.3 78.1 9.4 69 69 A Y G >> + 0 0 23 1,-0.3 3,-1.9 2,-0.2 4,-1.5 0.664 59.2 73.8 -41.1 -35.7 78.2 74.4 8.6 70 70 A E G 34 S+ 0 0 94 1,-0.3 -1,-0.3 2,-0.2 -2,-0.1 0.681 100.7 45.5 -64.5 -12.5 80.9 74.0 11.2 71 71 A E G <4 S+ 0 0 126 -3,-2.5 -1,-0.3 1,-0.1 -2,-0.2 0.448 116.7 42.9-105.6 0.9 78.2 73.9 13.9 72 72 A N T <4 S+ 0 0 63 -3,-1.9 -2,-0.2 -4,-0.3 -3,-0.1 0.507 94.6 87.6-120.6 -8.8 75.8 71.5 12.0 73 73 A L S < S- 0 0 17 -4,-1.5 2,-0.2 2,-0.0 371,-0.1 -0.756 77.2-116.8 -98.5 138.5 78.3 68.9 10.7 74 74 A P >> - 0 0 47 0, 0.0 4,-2.5 0, 0.0 3,-0.9 -0.520 34.3-106.8 -66.2 141.5 79.4 65.8 12.5 75 75 A K H 3> S+ 0 0 153 1,-0.3 4,-2.4 2,-0.2 5,-0.1 0.741 118.1 54.3 -38.1 -42.3 83.2 65.6 13.2 76 76 A A H 3> S+ 0 0 48 2,-0.2 4,-1.1 1,-0.2 -1,-0.3 0.921 113.2 40.9 -63.6 -46.6 83.8 62.9 10.5 77 77 A A H <> S+ 0 0 0 -3,-0.9 4,-2.1 1,-0.2 3,-0.5 0.938 115.0 52.6 -65.6 -46.1 82.1 65.0 7.7 78 78 A L H X S+ 0 0 33 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.899 103.0 57.9 -62.1 -41.0 83.8 68.2 8.9 79 79 A D H X S+ 0 0 70 -4,-2.4 4,-0.5 1,-0.2 -1,-0.2 0.858 108.5 46.5 -57.8 -36.5 87.3 66.7 8.9 80 80 A L H >X S+ 0 0 29 -4,-1.1 4,-1.2 -3,-0.5 3,-0.8 0.894 110.5 50.1 -76.5 -37.6 87.0 65.9 5.3 81 81 A V H 3X S+ 0 0 6 -4,-2.1 4,-1.3 1,-0.2 3,-0.4 0.920 106.7 57.9 -66.3 -34.9 85.6 69.3 4.2 82 82 A M H 3< S+ 0 0 81 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.707 104.6 53.7 -57.9 -30.3 88.5 71.0 6.2 83 83 A Q H << S+ 0 0 85 -3,-0.8 -1,-0.2 -4,-0.5 -2,-0.2 0.833 103.6 49.4 -79.6 -39.3 90.9 69.1 4.0 84 84 A S H < S- 0 0 0 -4,-1.2 -2,-0.2 -3,-0.4 -1,-0.1 0.736 82.0-162.2 -71.3 -30.7 89.7 70.0 0.5 85 85 A K >< + 0 0 66 -4,-1.3 3,-1.4 1,-0.1 -3,-0.1 0.467 47.5 128.1 62.5 9.0 89.7 73.6 1.4 86 86 A V T 3 S+ 0 0 4 1,-0.3 41,-0.1 -5,-0.2 -1,-0.1 0.717 72.0 52.8 -62.5 -23.8 87.5 74.6 -1.6 87 87 A F T 3 S+ 0 0 5 -6,-0.3 2,-0.3 2,-0.1 -1,-0.3 0.229 95.2 89.0 -99.4 18.7 85.0 76.5 0.7 88 88 A E S < S- 0 0 76 -3,-1.4 2,-0.4 -24,-0.1 40,-0.3 -0.817 79.2-111.9-118.0 156.5 87.6 78.7 2.5 89 89 A A - 0 0 54 -2,-0.3 2,-0.2 38,-0.1 38,-0.1 -0.674 37.2-132.1 -81.8 133.1 89.0 82.1 1.8 90 90 A V - 0 0 17 -2,-0.4 -28,-0.2 -30,-0.1 -1,-0.0 -0.518 24.0-122.8 -83.5 153.5 92.8 81.8 0.9 91 91 A S S S+ 0 0 104 -2,-0.2 2,-0.1 1,-0.1 3,-0.0 -0.975 81.5 42.8-141.8 144.6 95.4 84.1 2.5 92 92 A P S S+ 0 0 88 0, 0.0 -33,-2.6 0, 0.0 2,-0.3 0.685 75.7 168.4 -71.5 161.3 97.4 86.1 1.6 93 93 A S B +p 59 0D 40 -35,-0.3 2,-0.3 -2,-0.1 -33,-0.3 -0.902 8.5 167.1-136.0 161.3 95.4 87.9 -1.1 94 94 A S - 0 0 43 -35,-2.0 -33,-0.3 -2,-0.3 -3,-0.0 -0.959 46.8-116.9-165.4 157.1 95.9 91.1 -3.1 95 95 A E S S+ 0 0 21 -2,-0.3 2,-1.3 -35,-0.2 3,-0.3 0.731 110.9 71.3 -73.4 -21.8 94.4 92.8 -6.1 96 96 A D + 0 0 87 1,-0.2 -1,-0.2 -65,-0.2 -66,-0.0 -0.786 67.5 118.5 -90.6 88.9 97.9 92.3 -7.7 97 97 A a + 0 0 1 -2,-1.3 2,-2.1 -40,-0.1 -1,-0.2 0.408 18.6 122.7-137.3 -0.9 97.4 88.7 -8.0 98 98 A L + 0 0 3 -3,-0.3 -70,-1.7 -39,-0.1 -69,-0.9 -0.449 38.8 135.6 -80.3 81.1 97.6 87.7 -11.7 99 99 A T E -D 27 0B 15 -2,-2.1 56,-2.3 -72,-0.2 2,-0.3 -0.806 40.1-146.9-118.5 163.4 100.4 85.2 -11.7 100 100 A I E -DF 26 154B 0 -74,-2.3 -74,-2.3 -2,-0.3 -75,-0.5 -0.873 9.3-150.4-127.2 153.6 100.9 81.7 -13.4 101 101 A N E -DF 24 153B 0 52,-2.0 52,-1.8 -2,-0.3 2,-0.5 -0.994 5.0-164.6-134.5 136.1 102.8 78.6 -12.1 102 102 A V E -DF 23 152B 0 -79,-2.7 -79,-2.9 -2,-0.4 2,-0.4 -0.966 8.3-179.7-121.1 123.3 104.6 75.8 -14.0 103 103 A V E +DF 22 151B 2 48,-2.9 48,-3.0 -2,-0.5 -81,-0.2 -0.995 12.5 172.0-128.3 130.9 105.5 72.6 -12.2 104 104 A R E -D 21 0B 12 -83,-2.3 -83,-2.2 -2,-0.4 46,-0.2 -0.872 38.2 -79.1-134.2 162.9 107.3 69.8 -14.2 105 105 A P > - 0 0 8 0, 0.0 3,-1.5 0, 0.0 -85,-0.2 -0.221 61.3 -92.6 -51.1 144.1 109.1 66.5 -13.8 106 106 A P T 3 S+ 0 0 58 0, 0.0 3,-0.1 0, 0.0 -90,-0.0 -0.382 113.0 23.5 -59.4 142.2 112.7 66.7 -12.5 107 107 A G T 3 S+ 0 0 55 1,-0.3 2,-0.1 -3,-0.1 -87,-0.0 0.468 87.8 144.6 80.8 -0.8 115.2 66.8 -15.4 108 108 A T < + 0 0 16 -3,-1.5 2,-0.3 88,-0.0 -1,-0.3 -0.397 21.0 167.0 -67.5 143.7 112.6 68.2 -17.9 109 109 A K > - 0 0 150 88,-0.1 3,-2.0 -3,-0.1 4,-0.2 -0.970 43.7 -57.2-153.3 163.5 113.9 70.7 -20.4 110 110 A A T 3 S+ 0 0 68 85,-0.5 85,-0.2 -2,-0.3 84,-0.1 -0.103 121.0 32.1 -40.0 127.9 113.0 72.4 -23.6 111 111 A G T 3 S+ 0 0 52 83,-0.7 -1,-0.3 87,-0.2 84,-0.1 0.356 81.4 109.2 97.7 -5.5 112.2 69.9 -26.3 112 112 A A < - 0 0 47 -3,-2.0 -2,-0.1 82,-0.2 86,-0.1 0.892 62.8-161.0 -67.9 -33.0 110.7 67.3 -24.0 113 113 A N + 0 0 83 85,-0.3 85,-0.3 81,-0.2 86,-0.2 0.924 19.3 175.2 56.2 51.1 107.3 68.2 -25.5 114 114 A L E -g 198 0B 25 83,-2.7 85,-2.2 1,-0.1 88,-0.2 -0.528 37.3 -96.4 -83.6 150.7 105.2 66.8 -22.7 115 115 A P E - 0 0 13 0, 0.0 35,-2.1 0, 0.0 2,-0.4 -0.307 41.1-136.3 -51.3 150.9 101.3 67.1 -22.4 116 116 A V E -gh 203 150B 0 86,-2.9 88,-2.8 83,-0.3 2,-0.6 -0.961 11.1-157.6-123.0 131.1 100.2 70.0 -20.3 117 117 A M E -gh 204 151B 0 33,-3.3 35,-2.5 -2,-0.4 2,-0.7 -0.960 11.9-159.8-109.1 113.9 97.5 69.9 -17.7 118 118 A L E -gh 205 152B 1 86,-2.6 88,-2.8 -2,-0.6 2,-0.4 -0.873 10.4-151.9-100.0 111.6 96.2 73.4 -17.1 119 119 A W E -gh 206 153B 3 33,-2.7 35,-1.2 -2,-0.7 2,-0.5 -0.689 12.0-168.7 -91.0 130.1 94.3 73.6 -13.7 120 120 A I E -g 207 0B 0 86,-2.3 88,-0.8 -2,-0.4 95,-0.1 -0.970 13.5-155.1-116.2 111.0 91.6 76.0 -13.0 121 121 A F + 0 0 2 -2,-0.5 9,-0.1 33,-0.4 88,-0.1 -0.254 15.1 179.3 -70.7 168.5 90.6 76.2 -9.2 122 122 A G + 0 0 0 88,-0.2 88,-2.5 7,-0.1 2,-0.9 -0.011 25.9 174.8-179.0 89.8 87.2 77.4 -8.0 123 123 A G B >> S-Q 127 0E 2 4,-1.2 4,-2.5 1,-0.2 3,-2.2 -0.744 87.4 -46.6 -92.4 103.8 85.2 77.9 -4.8 124 124 A G T 34 S- 0 0 10 -2,-0.9 182,-0.3 1,-0.3 -1,-0.2 0.664 91.6 -79.9 52.5 25.9 81.8 79.5 -5.8 125 125 A F T 34 S+ 0 0 2 2,-0.2 34,-3.1 1,-0.1 -1,-0.3 0.655 129.9 76.6 54.6 19.7 83.5 82.0 -8.1 126 126 A E T <4 S+ 0 0 0 -3,-2.2 -63,-2.3 32,-0.3 2,-0.3 0.617 92.3 32.0-132.1 -23.3 84.2 84.0 -4.8 127 127 A V B < S+Q 123 0E 0 -4,-2.5 -4,-1.2 -65,-0.2 -1,-0.2 -0.843 70.4 93.3-132.5 165.5 87.1 82.2 -3.1 128 128 A G - 0 0 6 -2,-0.3 -68,-0.4 -40,-0.3 2,-0.3 -0.179 29.9-161.4 129.2 154.2 90.2 80.3 -4.2 129 129 A G - 0 0 0 -70,-0.1 3,-0.4 -2,-0.1 -7,-0.1 -0.920 33.1-118.3-149.2 166.0 93.9 80.4 -5.0 130 130 A T S > S+ 0 0 3 -2,-0.3 3,-1.5 1,-0.2 -1,-0.0 0.736 104.2 74.8 -81.0 -21.9 96.4 78.2 -6.9 131 131 A S T 3 S+ 0 0 46 1,-0.3 -1,-0.2 -74,-0.2 -75,-0.1 0.733 87.9 59.8 -68.1 -15.7 98.5 77.7 -3.7 132 132 A T T 3 S+ 0 0 23 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.367 90.6 72.5 -93.1 5.2 95.9 75.3 -2.2 133 133 A F S < S- 0 0 9 -3,-1.5 -1,-0.2 -14,-0.0 -14,-0.1 -0.720 75.6-151.0-121.3 84.1 96.0 72.6 -4.9 134 134 A P - 0 0 37 0, 0.0 4,-0.4 0, 0.0 3,-0.3 -0.278 6.0-161.6 -58.1 121.3 99.4 70.7 -4.7 135 135 A P > + 0 0 11 0, 0.0 4,-2.3 0, 0.0 3,-0.2 0.678 69.0 91.7 -75.8 -18.1 100.5 69.4 -8.1 136 136 A A H > S+ 0 0 27 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.837 81.7 50.5 -55.4 -40.9 103.0 66.8 -6.7 137 137 A Q H > S+ 0 0 31 320,-0.4 4,-2.3 -3,-0.3 -1,-0.2 0.937 113.4 46.4 -63.6 -46.3 100.6 63.7 -6.5 138 138 A M H > S+ 0 0 2 -4,-0.4 4,-2.6 -3,-0.2 -2,-0.2 0.949 117.1 44.1 -56.5 -48.9 99.5 64.2 -10.1 139 139 A I H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 5,-0.2 0.950 112.8 50.1 -65.5 -50.8 103.1 64.7 -11.4 140 140 A T H X S+ 0 0 68 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.927 112.8 48.4 -55.2 -41.0 104.6 61.8 -9.3 141 141 A K H X S+ 0 0 53 -4,-2.3 4,-2.1 -5,-0.3 6,-0.2 0.954 108.4 53.4 -67.7 -40.8 101.9 59.5 -10.6 142 142 A S H <>S+ 0 0 0 -4,-2.6 5,-2.9 1,-0.2 4,-0.3 0.898 110.6 47.1 -61.0 -40.8 102.5 60.6 -14.2 143 143 A I H ><5S+ 0 0 74 -4,-2.3 3,-1.8 1,-0.2 -1,-0.2 0.948 110.1 53.4 -61.4 -46.9 106.2 59.8 -13.9 144 144 A A H 3<5S+ 0 0 77 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.847 110.9 45.7 -62.2 -35.6 105.4 56.4 -12.4 145 145 A M T 3<5S- 0 0 48 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.464 114.7-114.9 -91.7 10.2 103.1 55.5 -15.2 146 146 A G T < 5S+ 0 0 59 -3,-1.8 -3,-0.2 -4,-0.3 -2,-0.1 0.751 91.4 105.0 65.3 27.2 105.6 56.6 -17.8 147 147 A K < - 0 0 46 -5,-2.9 -4,-0.2 -6,-0.2 -3,-0.1 -0.526 56.1-169.5-130.2 64.9 103.2 59.4 -19.0 148 148 A P - 0 0 41 0, 0.0 2,-0.3 0, 0.0 -9,-0.1 -0.235 5.0-172.7 -59.0 140.9 104.9 62.6 -17.5 149 149 A I - 0 0 0 -10,-0.2 2,-0.4 -35,-0.1 -33,-0.2 -0.894 23.1-124.5-130.1 161.0 102.9 65.8 -17.6 150 150 A I E - h 0 116B 0 -35,-2.1 -33,-3.3 -2,-0.3 2,-0.6 -0.911 22.6-145.4-103.6 138.3 103.5 69.5 -16.8 151 151 A H E +Fh 103 117B 7 -48,-3.0 -48,-2.9 -2,-0.4 2,-0.4 -0.932 19.2 179.0-105.6 121.1 101.1 71.0 -14.4 152 152 A V E -Fh 102 118B 0 -35,-2.5 -33,-2.7 -2,-0.6 2,-0.4 -0.961 2.5-175.8-117.1 132.8 100.3 74.8 -15.0 153 153 A S E -Fh 101 119B 5 -52,-1.8 -52,-2.0 -2,-0.4 2,-0.4 -0.993 8.3-155.3-130.4 145.3 97.8 76.6 -12.7 154 154 A V E -F 100 0B 0 -35,-1.2 -33,-0.4 -2,-0.4 -54,-0.2 -0.954 10.8-136.0-122.0 133.3 96.6 80.2 -13.2 155 155 A N + 0 0 2 -56,-2.3 2,-0.3 -2,-0.4 30,-0.1 -0.528 29.2 179.0 -74.5 151.2 95.3 82.8 -10.7 156 156 A Y - 0 0 0 -2,-0.2 2,-0.3 -28,-0.2 -96,-0.3 -0.977 34.7 -88.9-148.1 164.4 92.2 84.7 -11.8 157 157 A R - 0 0 7 -2,-0.3 2,-0.2 20,-0.1 24,-0.1 -0.555 43.6-168.1 -81.5 128.6 90.0 87.4 -10.2 158 158 A V > + 0 0 0 -97,-0.4 4,-0.9 -2,-0.3 3,-0.5 -0.602 46.3 6.2-106.6 171.9 87.1 86.1 -8.1 159 159 A S H >> S- 0 0 0 -34,-3.1 4,-2.9 2,-0.2 3,-0.9 -0.141 125.0 -16.8 59.9-146.7 84.0 87.8 -6.6 160 160 A S H 3> S+ 0 0 0 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.899 137.0 59.1 -57.8 -40.6 83.2 91.6 -7.5 161 161 A W H 34 S+ 0 0 8 -3,-0.5 -123,-0.5 1,-0.2 -1,-0.2 0.778 121.9 22.5 -58.5 -30.5 86.8 92.1 -8.7 162 162 A G H << S+ 0 0 1 -4,-0.9 16,-2.9 -3,-0.9 17,-0.3 0.672 132.5 29.7-115.8 -20.5 86.3 89.4 -11.3 163 163 A F H < + 0 0 6 -4,-2.9 144,-0.6 14,-0.2 -3,-0.2 -0.104 69.4 148.3-136.7 37.3 82.6 88.9 -12.1 164 164 A L < + 0 0 6 -4,-0.9 12,-0.5 10,-0.1 13,-0.2 -0.476 24.4 176.4 -70.0 145.3 80.8 92.3 -11.5 165 165 A A + 0 0 9 90,-0.4 4,-0.3 -2,-0.1 3,-0.2 -0.490 19.7 102.1-132.2-160.2 77.9 92.7 -13.8 166 166 A G S > S- 0 0 0 84,-2.7 4,-2.2 -2,-0.2 3,-0.3 -0.246 82.4 -53.9 98.7 165.5 75.0 95.1 -14.7 167 167 A D H > S+ 0 0 90 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.836 129.7 51.1 -43.0 -48.2 74.3 97.7 -17.3 168 168 A E H > S+ 0 0 51 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.912 110.9 48.2 -65.4 -39.5 77.5 99.8 -16.9 169 169 A I H >>S+ 0 0 1 -4,-0.3 5,-2.6 -3,-0.3 4,-1.0 0.933 112.8 50.9 -60.3 -46.2 79.9 96.8 -17.1 170 170 A K H ><5S+ 0 0 84 -4,-2.2 3,-1.0 3,-0.2 -2,-0.2 0.945 109.6 48.1 -57.5 -52.3 78.0 95.7 -20.2 171 171 A A H 3<5S+ 0 0 91 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.933 113.3 47.4 -56.7 -45.5 78.3 99.1 -21.9 172 172 A E H 3<5S- 0 0 71 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.701 110.9-126.3 -69.8 -17.0 82.0 99.3 -21.1 173 173 A G T <<5S+ 0 0 40 -4,-1.0 -3,-0.2 -3,-1.0 -133,-0.1 0.827 70.4 129.4 72.9 31.6 82.3 95.7 -22.4 174 174 A S > < + 0 0 6 -5,-2.6 3,-0.6 -6,-0.2 -4,-0.2 0.124 26.6 141.2-103.9 25.5 84.0 94.6 -19.2 175 175 A A T 3 + 0 0 3 -6,-0.3 -10,-0.1 1,-0.2 -12,-0.1 -0.364 64.8 10.3 -69.9 143.4 81.9 91.5 -18.4 176 176 A N T >> + 0 0 5 -12,-0.5 4,-1.5 131,-0.1 3,-0.8 0.819 64.5 170.2 67.2 42.2 83.5 88.3 -16.9 177 177 A A H <> S+ 0 0 3 -3,-0.6 4,-2.1 1,-0.2 3,-0.5 0.888 73.2 61.0 -48.0 -44.8 86.9 89.7 -16.2 178 178 A G H 3> S+ 0 0 0 -16,-2.9 4,-1.6 1,-0.3 -1,-0.2 0.873 105.0 46.1 -55.2 -40.0 87.8 86.4 -14.3 179 179 A L H <> S+ 0 0 0 -3,-0.8 4,-2.2 -17,-0.3 -1,-0.3 0.821 110.2 54.2 -74.0 -30.1 87.3 84.2 -17.3 180 180 A K H X S+ 0 0 19 -4,-1.5 4,-2.3 -3,-0.5 -2,-0.2 0.828 104.0 56.4 -73.1 -32.3 89.3 86.6 -19.5 181 181 A D H X S+ 0 0 0 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.950 109.6 45.1 -59.4 -47.1 92.2 86.3 -16.9 182 182 A Q H X S+ 0 0 0 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.912 111.5 52.3 -60.3 -50.6 92.2 82.5 -17.4 183 183 A R H X S+ 0 0 16 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.881 109.5 49.0 -54.5 -42.6 92.0 82.9 -21.2 184 184 A L H X S+ 0 0 21 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.913 108.1 54.6 -68.6 -37.2 95.0 85.2 -21.2 185 185 A G H X S+ 0 0 0 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.872 106.9 52.7 -59.9 -34.0 96.9 82.7 -19.0 186 186 A M H X S+ 0 0 3 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.910 107.3 50.4 -69.8 -40.0 96.1 80.1 -21.7 187 187 A Q H X S+ 0 0 52 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.906 106.7 55.1 -64.0 -37.0 97.6 82.3 -24.4 188 188 A W H X S+ 0 0 29 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.886 108.2 48.8 -61.7 -42.3 100.7 82.7 -22.2 189 189 A V H X S+ 0 0 2 -4,-1.6 4,-2.8 2,-0.2 5,-0.3 0.940 108.0 54.5 -62.7 -46.8 101.0 78.9 -22.1 190 190 A A H < S+ 0 0 19 -4,-2.4 4,-0.3 1,-0.2 -2,-0.2 0.947 117.4 37.3 -51.8 -46.9 100.6 78.7 -25.9 191 191 A D H < S+ 0 0 58 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.682 131.2 22.7 -82.0 -20.5 103.5 81.2 -26.3 192 192 A N H >< S+ 0 0 18 -4,-1.8 3,-0.8 -3,-0.3 4,-0.3 0.593 90.4 89.0-125.5 -4.8 105.8 80.1 -23.5 193 193 A I G ><>S+ 0 0 0 -4,-2.8 5,-2.3 1,-0.2 3,-1.7 0.817 80.5 66.4 -73.6 -23.4 105.3 76.4 -22.4 194 194 A A G > 5S+ 0 0 48 -5,-0.3 3,-1.2 -4,-0.3 -83,-0.7 0.877 93.4 62.0 -61.9 -29.9 107.8 74.9 -25.0 195 195 A A G < 5S+ 0 0 27 -3,-0.8 -85,-0.5 1,-0.3 -190,-0.3 0.703 105.8 46.2 -68.5 -17.6 110.6 76.7 -23.2 196 196 A F G < 5S- 0 0 0 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.452 130.6 -89.5-102.0 -3.5 109.8 74.6 -20.0 197 197 A G T < 5S+ 0 0 0 -3,-1.2 -83,-2.7 -4,-0.5 -3,-0.2 0.450 87.4 123.7 109.8 2.2 109.5 71.3 -21.8 198 198 A G E < -g 114 0B 0 -5,-2.3 -1,-0.3 -85,-0.3 -85,-0.3 -0.459 58.0-129.0 -97.8 166.2 105.8 71.3 -22.7 199 199 A D E > - 0 0 26 -85,-2.2 3,-2.1 3,-0.2 -83,-0.3 -0.948 9.0-153.5-110.7 114.3 104.0 71.0 -26.0 200 200 A P E 3 S+ 0 0 23 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 0.729 94.9 58.8 -55.8 -22.8 101.5 73.8 -26.7 201 201 A T E 3 S+ 0 0 74 1,-0.2 33,-0.1 -11,-0.1 32,-0.0 0.405 100.1 59.7 -89.5 2.7 99.4 71.5 -29.0 202 202 A K E < S+ 0 0 54 -3,-2.1 -86,-2.9 -88,-0.2 2,-0.5 -0.405 71.1 139.5-121.4 51.3 98.9 69.0 -26.1 203 203 A V E -g 116 0B 4 -3,-0.5 32,-2.7 -88,-0.2 33,-0.8 -0.876 28.5-172.5 -97.9 130.9 97.1 71.2 -23.5 204 204 A T E -gi 117 236B 0 -88,-2.8 -86,-2.6 -2,-0.5 2,-0.3 -0.992 13.7-150.5-115.1 123.1 94.2 69.6 -21.5 205 205 A I E +gi 118 237B 0 31,-1.9 33,-2.2 -2,-0.5 2,-0.3 -0.739 23.9 169.4 -91.9 138.8 92.3 72.2 -19.3 206 206 A F E +gi 119 238B 4 -88,-2.8 -86,-2.3 -2,-0.3 2,-0.3 -0.998 5.2 157.1-145.8 153.0 90.7 70.7 -16.1 207 207 A G E -gi 120 239B 0 31,-1.6 33,-2.5 -2,-0.3 2,-0.4 -0.983 29.1-125.0-163.3 172.9 89.1 72.1 -13.0 208 208 A E E > S- i 0 240B 0 -88,-0.8 3,-1.5 -2,-0.3 2,-0.3 -0.971 71.6 -19.9-129.7 140.9 86.7 71.3 -10.2 209 209 A S T >> S+ 0 0 7 31,-1.6 4,-2.3 32,-0.8 3,-1.1 -0.477 140.5 3.8 64.4-118.6 83.6 73.2 -9.1 210 210 A A H 3> S+ 0 0 2 -88,-2.5 4,-2.1 1,-0.3 -1,-0.3 0.893 135.6 57.7 -65.9 -30.8 83.7 76.9 -10.4 211 211 A G H <> S+ 0 0 0 -3,-1.5 4,-1.5 -89,-0.3 -1,-0.3 0.790 107.2 47.2 -63.9 -27.1 86.9 75.8 -12.2 212 212 A S H <> S+ 0 0 0 -3,-1.1 4,-2.2 29,-0.3 -2,-0.2 0.891 109.3 51.0 -84.0 -38.5 84.9 73.1 -13.9 213 213 A M H X S+ 0 0 18 -4,-2.3 4,-2.1 28,-0.3 -2,-0.2 0.862 108.7 55.7 -62.2 -32.5 82.1 75.5 -14.8 214 214 A S H X S+ 0 0 0 -4,-2.1 4,-2.5 -5,-0.2 -2,-0.2 0.918 102.2 53.4 -65.4 -45.7 85.0 77.6 -16.2 215 215 A V H X S+ 0 0 0 -4,-1.5 4,-1.8 1,-0.2 -2,-0.2 0.958 109.6 50.1 -57.4 -43.0 86.2 74.8 -18.5 216 216 A M H X S+ 0 0 0 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.924 109.3 50.4 -59.2 -44.5 82.7 74.6 -19.8 217 217 A C H X S+ 0 0 0 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.899 108.3 54.0 -59.4 -37.7 82.7 78.4 -20.4 218 218 A H H < S+ 0 0 1 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.826 105.8 51.4 -68.8 -30.0 86.0 78.0 -22.3 219 219 A I H < S+ 0 0 0 -4,-1.8 110,-2.0 -3,-0.2 -1,-0.2 0.807 117.8 39.6 -68.8 -35.9 84.5 75.4 -24.6 220 220 A L H >< S+ 0 0 0 -4,-1.6 3,-1.0 108,-0.2 4,-0.4 0.611 88.4 123.2 -88.4 -14.8 81.6 77.8 -25.4 221 221 A W G >X S+ 0 0 10 -4,-1.6 3,-1.5 1,-0.3 4,-1.0 -0.178 84.7 3.6 -55.9 136.1 83.8 81.0 -25.5 222 222 A N G >4 S- 0 0 62 92,-2.8 3,-0.8 1,-0.3 -1,-0.3 0.879 135.1 -61.7 51.9 43.6 83.6 82.9 -28.8 223 223 A D G <4 S- 0 0 60 -3,-1.0 -1,-0.3 91,-0.5 105,-0.2 0.763 105.5 -45.3 51.5 36.9 81.0 80.4 -29.9 224 224 A G G <4 S+ 0 0 13 -3,-1.5 2,-1.0 -4,-0.4 106,-0.3 0.623 97.8 135.5 90.6 15.3 83.4 77.6 -29.7 225 225 A D << + 0 0 84 -4,-1.0 -1,-0.2 -3,-0.8 104,-0.1 -0.814 17.9 165.8 -96.8 101.0 86.4 79.1 -31.4 226 226 A N + 0 0 16 -2,-1.0 7,-3.0 -3,-0.1 2,-0.3 0.045 31.1 124.9-100.5 24.8 89.3 78.1 -29.1 227 227 A T E -R 232 0F 64 5,-0.3 2,-0.4 6,-0.1 -2,-0.0 -0.613 33.2-179.2 -92.7 146.2 92.1 79.0 -31.6 228 228 A Y E > S-R 231 0F 52 3,-3.0 3,-1.0 -2,-0.3 -2,-0.0 -0.965 76.2 -5.0-140.9 126.5 95.0 81.3 -30.9 229 229 A K T 3 S- 0 0 145 -2,-0.4 -1,-0.1 1,-0.2 -2,-0.0 0.890 131.5 -53.6 51.1 52.1 97.6 81.9 -33.6 230 230 A G T 3 S+ 0 0 78 1,-0.2 -1,-0.2 -3,-0.0 -3,-0.1 0.576 124.5 87.6 66.4 16.1 96.1 79.4 -36.0 231 231 A K E < S-R 228 0F 71 -3,-1.0 -3,-3.0 -5,-0.0 2,-0.2 -0.923 84.6 -97.8-134.7 157.2 96.2 76.6 -33.4 232 232 A P E -R 227 0F 70 0, 0.0 -5,-0.3 0, 0.0 -29,-0.1 -0.582 20.1-141.2 -75.5 140.5 93.8 75.4 -30.6 233 233 A L S S+ 0 0 10 -7,-3.0 2,-0.3 -2,-0.2 -6,-0.1 0.662 87.8 11.2 -71.5 -20.2 94.5 76.7 -27.2 234 234 A F - 0 0 2 -8,-0.3 -1,-0.2 -33,-0.1 -30,-0.2 -0.951 54.6-158.5-159.9 147.0 93.5 73.2 -25.8 235 235 A R S S+ 0 0 60 -32,-2.7 2,-0.3 -2,-0.3 -31,-0.2 0.380 78.3 13.2-105.3 -7.9 92.8 69.8 -27.2 236 236 A A E -i 204 0B 0 -33,-0.8 -31,-1.9 95,-0.2 2,-0.3 -0.975 62.2-147.8-162.2 164.1 90.7 68.2 -24.4 237 237 A G E -ij 205 333B 0 95,-1.7 97,-1.9 -2,-0.3 2,-0.5 -0.998 1.2-158.8-145.8 142.4 88.9 69.2 -21.2 238 238 A I E -ij 206 334B 0 -33,-2.2 -31,-1.6 -2,-0.3 2,-0.7 -0.984 9.3-165.1-124.2 122.9 88.2 67.5 -17.9 239 239 A M E -ij 207 335B 0 95,-3.0 97,-2.5 -2,-0.5 2,-1.1 -0.870 4.4-168.9-114.4 101.6 85.3 68.7 -15.8 240 240 A Q E S-ij 208 336B 0 -33,-2.5 -31,-1.6 -2,-0.7 -28,-0.2 -0.754 74.7 -26.2 -87.4 91.1 85.2 67.6 -12.2 241 241 A S S S+ 0 0 0 95,-2.2 -32,-0.8 -2,-1.1 -29,-0.3 0.998 113.0 74.5 70.2 84.6 81.7 68.7 -11.0 242 242 A G + 0 0 0 94,-0.4 -26,-0.2 173,-0.3 173,-0.2 -0.334 38.5 166.7 145.8 126.6 80.3 71.6 -13.0 243 243 A A - 0 0 0 171,-0.6 -26,-0.2 1,-0.5 -27,-0.2 0.009 60.4 -1.6-127.4-128.8 78.9 72.1 -16.4 244 244 A M S S- 0 0 1 174,-0.2 -1,-0.5 -28,-0.1 -30,-0.1 -0.269 70.3-118.0 -70.6 152.3 76.9 75.1 -17.8 245 245 A V - 0 0 2 -32,-0.2 2,-1.8 -3,-0.1 74,-0.4 -0.810 18.3-138.5 -91.3 128.9 76.2 78.1 -15.6 246 246 A P + 0 0 17 0, 0.0 288,-2.4 0, 0.0 2,-0.4 -0.489 54.2 142.0 -86.6 69.0 72.4 78.6 -15.2 247 247 A S - 0 0 2 -2,-1.8 72,-0.3 286,-0.3 3,-0.1 -0.889 51.9-126.4-128.1 145.5 72.6 82.4 -15.5 248 248 A D - 0 0 24 -2,-0.4 4,-0.1 1,-0.2 286,-0.1 -0.301 54.4 -73.9 -66.6 159.2 70.8 85.3 -16.9 249 249 A A > - 0 0 43 60,-0.2 3,-1.8 2,-0.1 6,-0.3 -0.173 50.8-100.1 -56.0 156.8 72.6 87.8 -19.2 250 250 A V T 3 S+ 0 0 2 60,-2.7 -84,-2.7 1,-0.3 61,-0.1 0.740 122.5 46.3 -53.7 -30.1 75.0 90.2 -17.6 251 251 A D T 3 S+ 0 0 62 -86,-0.2 -1,-0.3 -85,-0.1 -2,-0.1 -0.145 90.8 116.4-104.9 33.3 72.6 93.1 -17.6 252 252 A G S <> S- 0 0 21 -3,-1.8 4,-2.0 -4,-0.1 5,-0.3 -0.338 83.5 -75.8 -89.5-166.3 69.6 91.1 -16.2 253 253 A I H > S+ 0 0 83 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.897 125.7 37.8 -62.8 -49.0 67.8 91.6 -12.8 254 254 A Y H > S+ 0 0 13 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.855 112.2 55.9 -78.5 -29.9 70.3 90.2 -10.4 255 255 A G H > S+ 0 0 3 -6,-0.3 4,-1.6 1,-0.2 -90,-0.4 0.914 113.9 42.4 -63.7 -42.4 73.5 91.4 -12.1 256 256 A N H X S+ 0 0 27 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.940 112.7 53.6 -65.3 -43.5 72.1 94.9 -11.9 257 257 A E H X S+ 0 0 95 -4,-2.3 4,-2.1 -5,-0.3 -2,-0.2 0.913 109.2 46.3 -62.5 -46.9 70.8 94.5 -8.4 258 258 A I H X S+ 0 0 5 -4,-2.8 4,-2.8 2,-0.2 -1,-0.2 0.878 110.9 55.0 -64.0 -38.1 74.2 93.3 -6.9 259 259 A F H X S+ 0 0 6 -4,-1.6 4,-3.1 -5,-0.3 -2,-0.2 0.960 109.5 46.2 -56.4 -49.9 76.0 96.2 -8.7 260 260 A D H X S+ 0 0 82 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.909 113.7 48.9 -62.4 -41.6 73.7 98.8 -7.1 261 261 A L H X S+ 0 0 71 -4,-2.1 4,-2.3 -5,-0.2 -1,-0.2 0.930 113.1 46.0 -64.7 -47.5 74.1 97.2 -3.7 262 262 A L H X S+ 0 0 0 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.953 111.4 52.5 -60.8 -46.3 77.9 97.0 -4.0 263 263 A A H X>S+ 0 0 0 -4,-3.1 5,-2.9 1,-0.2 4,-0.8 0.938 111.4 47.0 -60.8 -41.5 78.1 100.6 -5.3 264 264 A S H ><5S+ 0 0 71 -4,-2.5 3,-0.8 4,-0.3 5,-0.3 0.916 112.1 50.5 -62.9 -40.0 76.0 101.9 -2.3 265 265 A N H 3<5S+ 0 0 59 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.768 109.6 50.1 -70.5 -28.6 78.1 99.9 0.1 266 266 A A H 3<5S- 0 0 8 -4,-2.0 -1,-0.2 -3,-0.3 -2,-0.2 0.535 123.2-102.5 -86.5 -6.1 81.3 101.3 -1.3 267 267 A G T <<5S+ 0 0 64 -4,-0.8 -3,-0.2 -3,-0.8 -2,-0.1 0.790 94.9 109.5 93.1 32.5 80.0 104.9 -1.0 268 268 A b > < + 0 0 1 -5,-2.9 3,-1.2 -6,-0.2 -4,-0.3 0.068 33.2 115.9-123.9 18.9 79.2 105.4 -4.7 269 269 A G T 3 S+ 0 0 35 -6,-0.4 -5,-0.2 -5,-0.3 -1,-0.1 0.781 82.7 40.8 -64.6 -30.3 75.4 105.4 -4.4 270 270 A S T 3 S+ 0 0 126 -7,-0.1 -1,-0.3 -3,-0.1 -2,-0.1 0.366 87.6 117.6-100.5 11.3 75.2 109.0 -5.5 271 271 A A < - 0 0 29 -3,-1.2 3,-0.3 1,-0.2 -3,-0.1 -0.387 57.3-148.5 -73.9 147.3 77.8 108.8 -8.3 272 272 A S S S+ 0 0 129 1,-0.3 2,-0.7 -2,-0.1 -1,-0.2 0.790 99.6 37.4 -79.3 -33.7 76.6 109.5 -11.9 273 273 A D S > S- 0 0 89 1,-0.2 4,-1.5 2,-0.0 -1,-0.3 -0.907 73.3-177.5-118.9 101.6 79.3 107.1 -13.1 274 274 A K H > S+ 0 0 43 -2,-0.7 4,-2.9 -3,-0.3 5,-0.2 0.837 78.5 56.4 -73.7 -28.4 79.5 104.3 -10.6 275 275 A L H > S+ 0 0 3 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.942 107.8 48.9 -67.8 -40.4 82.3 102.4 -12.3 276 276 A A H > S+ 0 0 46 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.921 113.5 48.3 -61.7 -43.8 84.6 105.5 -12.1 277 277 A b H >X S+ 0 0 39 -4,-1.5 4,-1.3 1,-0.2 3,-1.2 0.947 109.8 50.4 -61.5 -46.5 83.6 105.8 -8.5 278 278 A L H 3< S+ 0 0 0 -4,-2.9 3,-0.3 1,-0.3 -2,-0.2 0.868 107.8 53.9 -66.5 -32.9 84.3 102.1 -7.7 279 279 A R H 3< S+ 0 0 14 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.618 108.2 54.2 -71.6 -14.8 87.8 102.4 -9.4 280 280 A G H << S+ 0 0 61 -3,-1.2 -2,-0.2 -4,-0.6 -1,-0.2 0.819 88.4 91.8 -84.1 -34.7 88.5 105.4 -7.0 281 281 A V S < S- 0 0 25 -4,-1.3 -247,-0.1 -3,-0.3 -14,-0.1 -0.171 82.7 -98.4 -70.0 155.9 87.7 103.7 -3.7 282 282 A S > - 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0 0 32 0, 0.0 11,-0.4 0, 0.0 2,-0.2 -0.212 38.9-140.9 -62.9 137.3 75.9 87.7 0.1 295 295 A G > - 0 0 0 -4,-0.1 3,-1.8 -230,-0.1 6,-0.4 -0.557 30.9-103.2 -87.0 160.5 78.6 85.0 0.1 296 296 A F T 3 S+ 0 0 3 1,-0.3 -230,-0.1 -2,-0.2 7,-0.1 0.705 118.6 53.2 -69.6 -20.8 77.8 81.6 -1.4 297 297 A L T 3 S+ 0 0 2 -232,-2.0 -229,-0.4 -210,-0.1 -1,-0.3 0.361 91.0 99.5 -94.1 10.0 77.3 79.7 1.8 298 298 A A S X S- 0 0 14 -3,-1.8 3,-2.7 -233,-0.4 50,-0.1 -0.394 100.7 -83.2 -82.1 174.1 74.8 82.3 3.0 299 299 A Y T 3 S+ 0 0 79 1,-0.3 3,-0.1 -2,-0.1 -1,-0.1 0.731 128.9 62.8 -54.7 -29.1 71.0 81.6 2.7 300 300 A S T > S+ 0 0 22 -5,-0.2 3,-2.0 1,-0.2 -1,-0.3 0.788 81.2 168.1 -68.0 -27.9 70.9 82.8 -1.0 301 301 A S T < + 0 0 0 -3,-2.7 -1,-0.2 -6,-0.4 -3,-0.2 -0.187 65.3 7.5 54.3-120.0 73.3 79.8 -1.6 302 302 A L T 3 S+ 0 0 45 1,-0.2 2,-2.1 -3,-0.1 -1,-0.3 0.412 101.4 96.5 -82.2 12.7 73.6 79.2 -5.3 303 303 A R S < S- 0 0 34 -3,-2.0 -1,-0.2 -7,-0.1 2,-0.1 -0.699 82.5-156.9 -86.9 75.3 71.7 82.3 -6.3 304 304 A L - 0 0 14 -2,-2.1 3,-0.1 1,-0.1 -2,-0.1 -0.381 28.4-146.7 -67.1 136.9 75.3 83.5 -6.5 305 305 A S S S+ 0 0 8 -11,-0.4 2,-0.4 1,-0.2 -1,-0.1 0.837 90.8 27.4 -66.0 -34.8 76.2 87.2 -6.2 306 306 A Y S S+ 0 0 2 -182,-0.3 -1,-0.2 -142,-0.1 -147,-0.1 -0.998 79.2 125.8-135.0 123.5 79.2 86.9 -8.8 307 307 A L - 0 0 7 -144,-0.6 -131,-0.1 -2,-0.4 -182,-0.0 -0.943 63.5 -65.9-166.5 159.2 79.3 84.3 -11.5 308 308 A P - 0 0 0 0, 0.0 -145,-0.1 0, 0.0 -61,-0.0 -0.284 52.4-173.9 -49.5 132.4 79.8 84.0 -15.4 309 309 A R - 0 0 6 9,-0.0 -60,-0.2 -63,-0.0 6,-0.1 -0.974 31.2-102.3-130.4 145.2 77.0 85.6 -17.3 310 310 A P - 0 0 6 0, 0.0 -60,-2.7 0, 0.0 6,-0.2 -0.439 35.3-179.9 -56.9 135.4 76.3 85.7 -21.1 311 311 A D - 0 0 9 4,-2.0 5,-0.2 -62,-0.2 -136,-0.1 0.306 41.1-118.0-122.0 1.5 77.3 89.0 -22.5 312 312 A G S S+ 0 0 49 3,-1.9 4,-0.2 1,-0.1 -63,-0.0 0.396 102.4 66.0 76.7 -8.3 76.4 88.8 -26.2 313 313 A V S S+ 0 0 99 2,-0.4 3,-0.2 4,-0.0 -1,-0.1 0.807 119.4 1.2-106.4 -71.1 80.1 89.3 -27.1 314 314 A N S S+ 0 0 29 1,-0.3 -92,-2.8 -92,-0.1 -91,-0.5 0.644 144.1 34.2 -95.6 -26.8 82.3 86.4 -25.9 315 315 A I S S- 0 0 0 -94,-0.2 -4,-2.0 -93,-0.1 -3,-1.9 -0.924 83.4-172.8-123.3 97.2 79.5 84.1 -24.3 316 316 A T + 0 0 41 -2,-0.4 2,-0.3 -96,-0.3 -1,-0.1 0.691 51.3 0.6 -76.5 -20.7 76.9 85.1 -26.8 317 317 A D S S- 0 0 70 -3,-0.1 -6,-0.1 -6,-0.0 2,-0.1 -0.892 99.8 -45.2-153.0 174.4 73.8 83.5 -25.4 318 318 A D > - 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