==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 22-JUN-09 3HXV . COMPND 2 MOLECULE: ALANYL-TRNA SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.GUO,X.-L.YANG,P.SCHIMMEL . 442 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19551.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 319 72.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 56 12.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 23 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 153 34.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.7 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 0 2 0 0 2 2 0 1 0 2 2 0 1 0 1 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 2 3 2 1 0 0 1 0 2 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 . 2 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 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 S 0 0 117 0, 0.0 2,-0.2 0, 0.0 247,-0.1 0.000 360.0 360.0 360.0 164.6 8.1 47.7 40.9 2 2 A K - 0 0 76 245,-0.2 2,-0.1 1,-0.1 245,-0.0 -0.470 360.0-121.0 -72.5 144.5 7.3 47.2 37.2 3 3 A S > - 0 0 33 -2,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.329 30.8-104.4 -73.1 164.5 7.5 43.7 35.6 4 4 A T H > S+ 0 0 4 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.914 125.0 52.5 -56.1 -42.5 9.9 43.1 32.8 5 5 A A H > S+ 0 0 45 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.875 108.7 48.9 -61.4 -39.5 6.8 43.2 30.5 6 6 A E H > S+ 0 0 111 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.848 111.2 50.3 -69.8 -34.1 5.7 46.5 31.8 7 7 A I H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.918 109.2 50.7 -69.2 -45.6 9.1 48.0 31.4 8 8 A R H X S+ 0 0 10 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.945 114.8 44.1 -53.4 -49.8 9.3 46.7 27.8 9 9 A Q H X S+ 0 0 92 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.872 111.0 53.5 -66.5 -38.4 5.9 48.4 27.1 10 10 A A H X S+ 0 0 13 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.875 106.8 52.5 -66.1 -38.4 6.8 51.6 28.9 11 11 A F H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.947 113.7 43.0 -60.3 -49.8 9.9 52.0 26.9 12 12 A L H X S+ 0 0 21 -4,-1.8 4,-2.7 1,-0.2 -2,-0.2 0.887 112.3 53.3 -65.2 -40.4 8.0 51.7 23.6 13 13 A D H X S+ 0 0 77 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.899 106.9 53.7 -60.8 -40.1 5.1 53.9 24.9 14 14 A F H X S+ 0 0 0 -4,-2.3 4,-0.8 2,-0.2 -2,-0.2 0.958 113.6 40.0 -59.3 -52.4 7.7 56.6 25.7 15 15 A F H <>S+ 0 0 0 -4,-1.9 5,-2.6 1,-0.2 3,-0.4 0.878 113.1 54.4 -69.7 -35.8 9.1 56.7 22.2 16 16 A H H ><5S+ 0 0 116 -4,-2.7 3,-1.8 1,-0.2 -1,-0.2 0.926 106.2 53.2 -58.8 -43.7 5.8 56.3 20.5 17 17 A S H 3<5S+ 0 0 73 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.728 105.2 56.7 -64.2 -20.9 4.6 59.3 22.5 18 18 A K T 3<5S- 0 0 70 -4,-0.8 -1,-0.3 -3,-0.4 -2,-0.2 0.012 130.4 -95.1 -98.0 25.3 7.7 61.1 21.1 19 19 A G T < 5S+ 0 0 56 -3,-1.8 2,-0.4 1,-0.2 -3,-0.2 0.576 76.2 145.6 80.3 10.5 6.6 60.3 17.5 20 20 A H < - 0 0 3 -5,-2.6 2,-0.4 -6,-0.1 41,-0.3 -0.680 51.5-121.4 -86.2 133.5 8.5 57.1 16.9 21 21 A Q E -a 61 0A 98 39,-2.5 41,-2.4 -2,-0.4 2,-0.6 -0.563 24.3-131.0 -68.9 123.4 7.0 54.4 14.8 22 22 A V E -a 62 0A 60 -2,-0.4 2,-0.4 39,-0.2 41,-0.2 -0.706 30.2-172.4 -77.7 120.3 6.7 51.2 16.8 23 23 A V - 0 0 23 39,-2.5 41,-0.4 -2,-0.6 3,-0.1 -0.923 24.0-110.1-116.7 140.1 8.2 48.4 14.7 24 24 A A - 0 0 77 -2,-0.4 41,-0.1 1,-0.1 39,-0.0 -0.326 41.0 -93.3 -66.1 148.1 8.1 44.7 15.5 25 25 A S - 0 0 34 39,-0.3 -1,-0.1 1,-0.1 40,-0.1 -0.301 42.9-127.2 -50.8 139.4 11.2 42.8 16.5 26 26 A S - 0 0 25 1,-0.2 40,-0.4 40,-0.1 -1,-0.1 -0.367 33.0 -87.0 -78.6 170.0 12.9 41.2 13.5 27 27 A S - 0 0 42 2,-0.2 -1,-0.2 1,-0.1 266,-0.1 -0.282 31.6-117.5 -65.0 162.1 13.8 37.5 13.5 28 28 A L S S+ 0 0 0 264,-0.2 11,-2.1 1,-0.1 40,-0.1 0.564 101.7 66.1 -74.5 -12.6 17.1 36.3 14.9 29 29 A V S S- 0 0 35 9,-0.2 -2,-0.2 267,-0.1 2,-0.2 -0.941 77.2-146.0-119.9 114.6 17.9 35.1 11.4 30 30 A P - 0 0 30 0, 0.0 -2,-0.0 0, 0.0 3,-0.0 -0.488 9.5-166.8 -74.7 146.1 18.4 37.5 8.5 31 31 A H S S+ 0 0 178 -2,-0.2 -2,-0.0 1,-0.1 0, 0.0 0.664 88.9 36.8 -96.9 -24.3 17.3 36.4 5.0 32 32 A N S S+ 0 0 146 1,-0.1 -1,-0.1 2,-0.0 0, 0.0 -0.037 96.3 79.4-126.1 30.5 19.1 39.2 3.3 33 33 A D > - 0 0 19 3,-0.2 3,-1.6 1,-0.1 -1,-0.1 -0.760 44.4-178.8-140.4 94.6 22.4 39.9 5.1 34 34 A P T 3 S+ 0 0 132 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.664 83.2 60.9 -65.1 -18.3 25.3 37.5 4.3 35 35 A T T 3 S+ 0 0 87 1,-0.1 2,-0.5 2,-0.0 139,-0.2 0.526 91.9 81.1 -85.3 -5.7 27.6 39.3 6.8 36 36 A L < - 0 0 15 -3,-1.6 -3,-0.2 1,-0.2 3,-0.1 -0.893 48.7-176.1-117.1 119.2 25.4 38.5 9.8 37 37 A L S S- 0 0 45 -2,-0.5 2,-0.3 1,-0.3 -1,-0.2 0.997 77.4 -9.9 -68.7 -71.0 25.2 35.3 11.8 38 38 A F S S- 0 0 7 33,-0.2 -1,-0.3 30,-0.2 -9,-0.2 -0.959 87.7 -85.4-127.6 152.8 22.4 36.2 14.2 39 39 A T + 0 0 4 -11,-2.1 29,-2.8 -2,-0.3 3,-0.1 -0.355 48.3 171.8 -54.1 120.7 20.6 39.4 15.0 40 40 A N + 0 0 6 27,-0.2 2,-0.3 1,-0.2 -1,-0.2 0.424 57.3 25.2-116.8 -2.3 22.9 41.1 17.5 41 41 A A S > S- 0 0 0 25,-0.2 3,-1.6 1,-0.1 4,-0.3 -0.988 74.1-113.4-159.3 151.7 21.3 44.6 17.8 42 42 A G G > S+ 0 0 0 -2,-0.3 3,-0.6 1,-0.2 4,-0.2 0.812 112.9 62.7 -53.6 -32.7 18.0 46.5 17.2 43 43 A M G > S+ 0 0 0 1,-0.2 3,-1.7 2,-0.1 -1,-0.2 0.640 77.5 89.3 -71.9 -12.7 19.6 48.3 14.3 44 44 A N G X S+ 0 0 12 -3,-1.6 3,-1.5 1,-0.3 4,-0.2 0.883 85.7 49.5 -56.5 -45.2 20.2 45.2 12.2 45 45 A Q G < S+ 0 0 54 -3,-0.6 -1,-0.3 -4,-0.3 3,-0.1 0.614 113.4 48.7 -71.4 -10.4 16.8 45.3 10.4 46 46 A F G X> S+ 0 0 0 -3,-1.7 4,-2.2 -4,-0.2 3,-0.8 0.195 75.2 115.6-109.4 12.3 17.4 49.0 9.6 47 47 A K H <> S+ 0 0 25 -3,-1.5 4,-1.8 1,-0.3 5,-0.2 0.898 77.3 47.5 -50.4 -50.0 20.9 48.5 8.3 48 48 A D H 3>>S+ 0 0 81 -4,-0.2 5,-2.5 2,-0.2 6,-1.6 0.760 107.9 56.5 -67.2 -26.1 20.0 49.6 4.7 49 49 A V H X45S+ 0 0 15 -3,-0.8 3,-1.1 4,-0.2 -1,-0.2 0.946 108.1 47.1 -67.3 -48.0 18.1 52.7 6.1 50 50 A F H 3<5S+ 0 0 3 -4,-2.2 181,-0.4 1,-0.3 -2,-0.2 0.843 110.8 53.3 -58.5 -34.4 21.3 53.8 7.8 51 51 A L H 3<5S- 0 0 29 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.633 113.8-121.1 -75.9 -14.0 23.2 53.1 4.6 52 52 A G T <<5S+ 0 0 50 -3,-1.1 -3,-0.2 -4,-0.5 -2,-0.1 0.642 86.1 112.0 81.6 16.1 20.7 55.3 2.7 53 53 A L S S+L 74 0B 15 3,-0.8 3,-0.6 -3,-0.1 -1,-0.3 -0.938 96.7 42.9 170.8 173.9 29.1 34.4 17.6 72 72 A G T 3 S- 0 0 65 -2,-0.3 3,-0.1 1,-0.2 -36,-0.1 -0.390 115.0 -17.7 68.4-144.9 30.3 36.8 14.9 73 73 A K T 3 S+ 0 0 82 1,-0.2 2,-0.6 99,-0.2 -1,-0.2 0.870 137.7 39.2 -65.7 -42.2 31.2 40.4 15.9 74 74 A H E < S+L 71 0B 33 -3,-0.6 -3,-0.8 98,-0.2 2,-0.5 -0.932 71.0 164.5-118.2 108.8 29.5 40.4 19.3 75 75 A N E +L 70 0B 80 -2,-0.6 -5,-0.3 -5,-0.2 3,-0.2 -0.940 13.4 162.4-134.3 108.7 29.8 37.2 21.2 76 76 A D >> + 0 0 24 -7,-2.6 3,-1.6 -2,-0.5 4,-0.9 0.225 41.5 113.9-111.2 13.9 29.1 36.9 24.9 77 77 A L G >4 S+ 0 0 1 1,-0.3 3,-1.0 -8,-0.2 -1,-0.1 0.879 76.8 51.3 -51.8 -45.6 28.7 33.1 25.3 78 78 A E G 34 S+ 0 0 78 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.579 104.9 58.8 -76.6 -7.5 31.8 32.7 27.4 79 79 A N G X> S+ 0 0 59 -3,-1.6 3,-2.2 8,-0.1 4,-1.0 0.666 77.9 112.6 -86.1 -22.5 30.6 35.4 29.8 80 80 A V B << S+m 83 0C 8 -3,-1.0 7,-0.1 -4,-0.9 202,-0.1 -0.311 87.2 10.2 -62.0 128.0 27.3 33.6 30.6 81 81 A G T 34 S+ 0 0 6 2,-0.5 -1,-0.3 5,-0.4 201,-0.1 0.256 117.7 76.6 86.9 -11.8 27.2 32.5 34.3 82 82 A Y T <4 S+ 0 0 100 -3,-2.2 2,-0.3 4,-0.1 -2,-0.2 0.560 97.6 36.3-104.3 -14.2 30.4 34.4 35.1 83 83 A T B < S-m 80 0C 20 -4,-1.0 -2,-0.5 3,-0.2 3,-0.1 -0.923 71.1-130.2-132.8 164.6 28.8 37.9 35.3 84 84 A A S S+ 0 0 17 -2,-0.3 169,-2.7 1,-0.2 170,-0.3 0.474 105.0 45.7 -86.1 -2.6 25.4 39.3 36.4 85 85 A R S S+ 0 0 26 167,-0.2 2,-0.5 168,-0.1 -1,-0.2 0.527 87.1 89.5-123.4 -11.6 25.0 41.2 33.2 86 86 A H + 0 0 18 -7,-0.2 -5,-0.4 -3,-0.1 2,-0.3 -0.825 40.6 166.1-104.9 131.2 25.7 39.0 30.1 87 87 A H - 0 0 0 -2,-0.5 -11,-0.2 1,-0.2 3,-0.1 -0.837 37.5-140.0-123.0 166.5 23.3 36.7 28.2 88 88 A T S S+ 0 0 0 -2,-0.3 -19,-2.4 1,-0.3 2,-0.4 0.877 100.5 37.8 -80.2 -57.3 23.4 35.0 24.9 89 89 A F E S+B 68 0A 0 196,-0.3 2,-0.3 -21,-0.2 -1,-0.3 -0.772 79.1 144.0 -93.5 131.0 19.8 35.9 24.3 90 90 A F E -B 67 0A 0 -23,-2.1 -23,-3.0 -2,-0.4 2,-0.5 -0.984 45.5-111.2-156.1 164.8 18.5 39.3 25.4 91 91 A E E -B 66 0A 5 -2,-0.3 149,-2.6 -25,-0.2 2,-0.6 -0.877 23.6-154.2-102.2 132.5 16.1 42.1 24.3 92 92 A M E -BC 65 239A 0 -27,-2.7 -27,-2.6 -2,-0.5 2,-0.6 -0.929 7.1-148.1-108.2 117.7 17.5 45.4 23.2 93 93 A L E -BC 64 238A 0 145,-3.6 145,-2.5 -2,-0.6 2,-0.4 -0.751 31.5-179.8 -84.9 122.1 15.3 48.4 23.7 94 94 A G E -B 63 0A 0 -31,-2.8 -31,-1.6 -2,-0.6 2,-0.3 -0.937 31.7-166.6-133.7 147.6 16.0 50.8 20.9 95 95 A N E -B 62 0A 1 -2,-0.4 141,-1.8 -33,-0.2 2,-0.4 -0.972 20.1-163.4-121.7 148.5 15.2 54.2 19.4 96 96 A F E -BD 61 235A 0 -35,-2.7 -35,-1.9 -2,-0.3 2,-0.5 -0.984 13.8-162.0-137.4 136.1 16.3 55.2 15.9 97 97 A S E -BD 60 234A 0 137,-2.2 137,-2.2 -2,-0.4 2,-1.1 -0.978 6.0-163.3-118.1 117.5 16.6 58.4 14.0 98 98 A F S S- 0 0 21 -39,-3.2 135,-0.1 -2,-0.5 -42,-0.1 -0.702 81.2 -43.2-101.6 82.2 16.9 58.1 10.2 99 99 A G S S+ 0 0 35 -2,-1.1 -1,-0.2 133,-0.2 134,-0.1 0.839 122.0 105.5 62.0 34.1 18.2 61.5 9.3 100 100 A D S S- 0 0 62 1,-0.5 2,-0.2 -41,-0.2 -40,-0.1 0.706 82.3 -7.3-104.2 -93.9 15.7 63.0 11.7 101 101 A Y - 0 0 17 1,-0.1 -1,-0.5 133,-0.1 -2,-0.2 -0.528 68.6-164.9 -97.6 173.0 17.2 64.3 15.0 102 102 A F > - 0 0 58 -2,-0.2 4,-2.2 -3,-0.1 5,-0.2 -0.184 44.1 -23.8-135.0-134.7 20.8 63.9 16.1 103 103 A K H > S+ 0 0 20 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.889 123.3 42.9 -59.4 -54.3 23.1 64.1 19.2 104 104 A L H > S+ 0 0 61 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.951 118.3 43.1 -61.5 -51.3 21.4 66.6 21.5 105 105 A D H > S+ 0 0 81 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.856 111.4 55.0 -66.7 -34.2 17.9 65.2 21.2 106 106 A A H X S+ 0 0 1 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.940 112.2 43.9 -59.9 -47.8 19.1 61.6 21.3 107 107 A I H X S+ 0 0 0 -4,-2.2 4,-2.7 -5,-0.2 5,-0.2 0.926 113.8 50.8 -64.4 -44.0 20.8 62.3 24.7 108 108 A L H X S+ 0 0 65 -4,-2.8 4,-2.6 -5,-0.2 -2,-0.2 0.903 108.3 51.5 -61.1 -43.2 17.8 64.3 26.0 109 109 A F H X S+ 0 0 30 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.931 113.3 45.2 -57.8 -46.9 15.3 61.5 25.1 110 110 A A H X S+ 0 0 1 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.934 114.2 47.2 -65.2 -47.6 17.4 58.9 27.0 111 111 A W H X S+ 0 0 25 -4,-2.7 4,-2.6 1,-0.2 5,-0.3 0.896 112.3 51.9 -61.6 -39.7 18.0 61.1 30.0 112 112 A L H X S+ 0 0 67 -4,-2.6 4,-2.2 -5,-0.2 9,-0.3 0.951 110.8 45.4 -63.5 -50.7 14.3 62.0 30.2 113 113 A L H < S+ 0 0 0 -4,-2.5 7,-2.6 1,-0.2 8,-0.3 0.918 119.2 43.0 -57.2 -44.3 13.1 58.4 30.1 114 114 A L H < S+ 0 0 0 -4,-2.2 8,-3.2 -5,-0.2 -2,-0.2 0.876 128.5 21.1 -71.1 -41.5 15.6 57.3 32.7 115 115 A T H < S+ 0 0 13 -4,-2.6 -3,-0.2 6,-0.3 -2,-0.2 0.546 86.4 114.0-114.2 -11.0 15.5 60.2 35.2 116 116 A S ><> - 0 0 22 -4,-2.2 3,-1.6 -5,-0.3 5,-1.4 -0.415 64.5-134.0 -67.5 139.7 12.2 62.0 34.8 117 117 A E T 3 5S+ 0 0 171 1,-0.3 -1,-0.2 3,-0.1 -5,-0.0 0.753 110.8 56.8 -58.6 -24.1 9.8 61.8 37.8 118 118 A K T 3 5S+ 0 0 165 -6,-0.1 -1,-0.3 2,-0.0 -5,-0.1 0.626 119.7 23.7 -82.2 -15.4 7.1 61.1 35.1 119 119 A W T < 5S- 0 0 71 -3,-1.6 -5,-0.1 -7,-0.2 -6,-0.1 0.204 129.7 -23.6-120.4-122.8 9.1 58.1 33.8 120 120 A F T 5 - 0 0 12 -7,-2.6 -6,-0.2 -8,-0.2 -5,-0.2 0.735 67.2-155.8 -74.2 -21.2 11.7 55.7 35.2 121 121 A A < + 0 0 55 -5,-1.4 -6,-0.3 -8,-0.3 -7,-0.1 0.819 19.8 179.3 53.8 39.3 12.8 58.2 37.9 122 122 A L - 0 0 11 -8,-3.2 2,-0.5 1,-0.1 -1,-0.2 -0.445 42.1 -96.4 -68.0 144.5 16.3 56.8 38.4 123 123 A P > - 0 0 44 0, 0.0 3,-1.8 0, 0.0 4,-0.2 -0.510 31.6-148.2 -62.9 115.3 18.4 58.6 40.9 124 124 A K G > S+ 0 0 109 -2,-0.5 3,-1.7 1,-0.3 -2,-0.1 0.823 91.7 65.9 -56.5 -34.3 20.5 61.0 38.8 125 125 A E G 3 S+ 0 0 129 1,-0.3 -1,-0.3 23,-0.0 -3,-0.0 0.659 97.5 54.6 -65.9 -16.5 23.5 60.8 41.2 126 126 A R G < S+ 0 0 85 -3,-1.8 61,-2.8 2,-0.0 2,-0.4 0.425 89.5 95.4 -97.0 0.9 24.0 57.1 40.4 127 127 A L E < -E 186 0A 0 -3,-1.7 2,-0.3 -4,-0.2 59,-0.2 -0.803 49.5-178.1-100.8 132.5 24.3 57.6 36.6 128 128 A W E -E 185 0A 40 57,-2.5 57,-3.3 -2,-0.4 2,-0.3 -0.870 9.4-153.0-120.3 155.1 27.6 57.9 34.9 129 129 A V E -Ef 184 153A 0 23,-2.7 25,-3.0 -2,-0.3 2,-0.4 -0.964 4.1-157.4-131.3 149.8 28.3 58.5 31.2 130 130 A T E -Ef 183 154A 1 53,-2.2 53,-1.4 -2,-0.3 2,-0.3 -0.948 9.8-172.0-118.9 147.0 31.1 57.8 28.7 131 131 A V E - 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K 0 213A 1 -141,-1.8 2,-0.3 -2,-0.4 -23,-0.2 -0.904 8.8-177.3-122.3 155.5 20.4 53.3 20.4 237 237 A G E - K 0 212A 0 -25,-2.5 -25,-3.0 -2,-0.3 2,-0.4 -0.938 4.7-175.6-152.4 128.7 20.1 50.2 22.5 238 238 A M E -CK 93 211A 0 -145,-2.5 -145,-3.6 -2,-0.3 2,-0.5 -0.980 33.7-115.7-121.6 132.5 19.3 49.5 26.2 239 239 A G E > -C 92 0A 0 -29,-1.4 4,-2.5 -2,-0.4 5,-0.3 -0.550 18.1-154.0 -68.8 118.3 19.4 46.0 27.7 240 240 A L H > S+ 0 0 0 -149,-2.6 4,-2.3 -2,-0.5 -1,-0.2 0.912 95.3 48.9 -57.8 -44.4 15.9 45.2 28.9 241 241 A E H > S+ 0 0 3 -150,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.890 111.5 49.4 -65.8 -39.0 17.2 42.8 31.5 242 242 A R H > S+ 0 0 9 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.902 113.7 44.1 -69.0 -42.3 19.7 45.3 32.8 243 243 A I H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.870 111.2 55.8 -70.9 -33.3 17.2 48.2 33.2 244 244 A A H X S+ 0 0 0 -4,-2.3 4,-2.0 -5,-0.3 -2,-0.2 0.888 104.9 52.9 -61.2 -40.1 14.7 45.7 34.7 245 245 A A H <>S+ 0 0 0 -4,-1.9 5,-2.4 2,-0.2 4,-0.3 0.939 110.9 46.5 -61.1 -47.8 17.3 44.9 37.4 246 246 A V H ><5S+ 0 0 6 -4,-1.8 3,-1.3 1,-0.2 -2,-0.2 0.956 115.8 45.1 -56.1 -52.7 17.8 48.5 38.2 247 247 A L H 3<5S+ 0 0 23 -4,-2.8 -1,-0.2 1,-0.3 -245,-0.2 0.749 111.7 51.4 -66.6 -26.6 14.0 49.2 38.3 248 248 A Q T 3<5S- 0 0 26 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.323 113.2-116.8 -95.7 7.1 13.3 46.1 40.4 249 249 A H T < 5S+ 0 0 162 -3,-1.3 2,-0.3 -4,-0.3 -3,-0.2 0.840 75.6 117.1 61.8 38.7 15.9 47.0 43.0 250 250 A V < - 0 0 19 -5,-2.4 -1,-0.2 -6,-0.2 -2,-0.1 -0.783 59.6-140.7-123.6 172.7 18.2 44.0 42.4 251 251 A N S S+ 0 0 51 -2,-0.3 2,-0.4 -3,-0.1 -5,-0.1 0.725 76.9 63.5-108.2 -28.3 21.7 43.9 41.1 252 252 A S S > S- 0 0 18 1,-0.1 3,-1.8 -7,-0.1 4,-0.2 -0.790 72.2-134.6-102.5 142.6 21.8 40.8 38.8 253 253 A N G > S+ 0 0 5 -169,-2.7 3,-1.3 -2,-0.4 6,-0.4 0.823 108.6 62.8 -53.8 -31.8 19.9 40.3 35.6 254 254 A Y G 3 S+ 0 0 3 -170,-0.3 -1,-0.3 1,-0.3 9,-0.2 0.548 94.2 60.7 -79.5 -4.3 19.2 36.8 37.0 255 255 A D G < S+ 0 0 69 -3,-1.8 -1,-0.3 -171,-0.2 -2,-0.2 0.402 79.2 108.4 -99.4 0.7 17.2 38.3 39.9 256 256 A I S <> S- 0 0 0 -3,-1.3 4,-2.4 -4,-0.2 5,-0.2 -0.346 88.2-102.0 -71.0 161.6 14.6 40.0 37.8 257 257 A D H > S+ 0 0 55 1,-0.2 4,-2.1 2,-0.2 5,-0.3 0.897 119.8 55.2 -51.0 -47.0 11.1 38.6 37.8 258 258 A L H > S+ 0 0 3 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.919 114.3 37.4 -53.2 -52.1 11.6 36.9 34.4 259 259 A F H > S+ 0 0 0 -6,-0.4 4,-3.0 -3,-0.2 5,-0.2 0.788 110.3 59.9 -77.1 -28.7 14.7 34.9 35.4 260 260 A R H X S+ 0 0 132 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.939 111.3 42.1 -62.5 -44.9 13.6 34.2 39.0 261 261 A T H X S+ 0 0 72 -4,-2.1 4,-1.6 -5,-0.2 -2,-0.2 0.925 116.4 48.0 -65.9 -45.9 10.6 32.3 37.6 262 262 A L H X S+ 0 0 0 -4,-1.9 4,-2.0 -5,-0.3 -2,-0.2 0.909 110.3 51.5 -63.1 -43.2 12.7 30.6 34.8 263 263 A I H X S+ 0 0 16 -4,-3.0 4,-2.3 1,-0.2 -1,-0.2 0.868 106.1 55.0 -64.3 -36.6 15.4 29.6 37.3 264 264 A Q H X S+ 0 0 120 -4,-1.7 4,-2.0 -5,-0.2 -1,-0.2 0.896 108.2 50.0 -59.2 -40.0 12.8 28.0 39.6 265 265 A A H X S+ 0 0 17 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.871 108.0 52.4 -67.2 -37.3 11.6 26.0 36.5 266 266 A V H X S+ 0 0 0 -4,-2.0 4,-1.7 2,-0.2 6,-0.3 0.917 109.0 50.1 -63.8 -43.5 15.2 24.9 35.8 267 267 A A H X>S+ 0 0 11 -4,-2.3 4,-2.0 1,-0.2 5,-0.8 0.920 110.0 52.0 -59.0 -44.3 15.6 23.7 39.4 268 268 A K H <5S+ 0 0 181 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.929 113.0 41.6 -59.5 -49.4 12.3 21.7 39.1 269 269 A V H <5S+ 0 0 31 -4,-2.2 58,-0.3 1,-0.2 -1,-0.2 0.721 121.7 40.4 -77.2 -20.6 13.2 19.9 35.9 270 270 A T H <5S- 0 0 4 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.651 104.2-123.8 -96.9 -20.5 16.9 19.1 36.9 271 271 A G T <5 + 0 0 58 -4,-2.0 -3,-0.2 1,-0.3 2,-0.1 0.582 58.4 149.5 83.7 11.5 16.1 18.3 40.6 272 272 A A < - 0 0 18 -5,-0.8 -1,-0.3 -6,-0.3 -2,-0.1 -0.483 26.8-177.2 -75.4 148.9 18.6 20.9 41.8 273 273 A T + 0 0 132 -2,-0.1 2,-1.2 1,-0.1 -1,-0.1 0.681 60.5 85.5-116.0 -33.7 17.8 22.6 45.2 274 274 A D > - 0 0 92 1,-0.2 3,-1.7 -7,-0.1 6,-0.2 -0.610 58.7-167.7 -74.7 97.2 20.6 25.1 45.6 275 275 A L T 3 S+ 0 0 96 -2,-1.2 -1,-0.2 1,-0.3 -8,-0.0 0.383 80.0 65.8 -69.9 6.3 19.1 28.1 43.7 276 276 A S T 3 + 0 0 74 4,-0.0 -1,-0.3 5,-0.0 2,-0.1 0.581 68.1 116.6-103.0 -14.7 22.5 29.8 43.8 277 277 A N X> - 0 0 59 -3,-1.7 3,-1.6 1,-0.2 4,-0.7 -0.347 67.0-135.2 -58.3 129.9 24.4 27.3 41.6 278 278 A K H 3> S+ 0 0 44 1,-0.3 4,-2.2 2,-0.2 3,-0.2 0.725 98.5 72.0 -64.1 -22.1 25.6 29.1 38.5 279 279 A S H 3> S+ 0 0 1 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.806 91.9 57.9 -62.9 -30.0 24.5 26.2 36.3 280 280 A L H <> S+ 0 0 0 -3,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.905 108.5 45.4 -65.7 -40.6 20.9 27.1 36.9 281 281 A R H X S+ 0 0 65 -4,-0.7 4,-2.4 2,-0.2 -2,-0.2 0.885 111.6 52.1 -68.3 -40.8 21.6 30.6 35.4 282 282 A V H X S+ 0 0 5 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.938 112.4 44.8 -61.3 -46.8 23.5 29.2 32.5 283 283 A I H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.901 111.0 53.7 -64.7 -41.8 20.6 26.8 31.6 284 284 A A H X S+ 0 0 0 -4,-2.2 4,-1.0 1,-0.2 -1,-0.2 0.903 113.4 43.8 -59.3 -42.4 18.1 29.6 32.1 285 285 A D H X S+ 0 0 0 -4,-2.4 4,-1.6 1,-0.2 -196,-0.3 0.939 112.9 51.9 -63.8 -48.7 20.1 31.8 29.6 286 286 A H H X S+ 0 0 1 -4,-2.8 4,-3.0 1,-0.2 5,-0.3 0.852 101.6 57.5 -64.5 -37.7 20.6 28.9 27.2 287 287 A I H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 5,-0.4 0.906 105.3 54.7 -59.9 -35.9 16.9 27.9 26.9 288 288 A R H X S+ 0 0 0 -4,-1.0 4,-1.9 -3,-0.3 5,-0.3 0.963 113.7 38.1 -61.5 -52.5 16.2 31.5 25.7 289 289 A S H X S+ 0 0 0 -4,-1.6 4,-2.2 2,-0.2 5,-0.2 0.945 120.5 46.2 -65.3 -44.8 18.8 31.5 22.9 290 290 A C H X S+ 0 0 0 -4,-3.0 4,-2.1 1,-0.2 5,-0.2 0.946 114.6 45.1 -65.2 -47.8 18.1 27.8 21.9 291 291 A A H X S+ 0 0 0 -4,-2.7 4,-2.3 -5,-0.3 -1,-0.2 0.919 116.7 44.5 -64.7 -44.4 14.3 28.0 21.9 292 292 A F H X S+ 0 0 0 -4,-1.9 4,-1.9 -5,-0.4 -264,-0.2 0.878 110.6 54.4 -69.4 -36.4 14.1 31.3 20.1 293 293 A L H <>S+ 0 0 0 -4,-2.2 5,-2.7 -5,-0.3 -1,-0.2 0.916 111.3 45.5 -62.7 -42.5 16.7 30.3 17.5 294 294 A I H ><5S+ 0 0 7 -4,-2.1 3,-2.1 3,-0.2 -2,-0.2 0.927 110.4 53.7 -65.3 -43.4 14.7 27.2 16.6 295 295 A A H 3<5S+ 0 0 5 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.852 107.6 52.3 -57.5 -33.9 11.5 29.3 16.5 296 296 A D T 3<5S- 0 0 25 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.250 132.9 -89.4 -90.6 11.8 13.2 31.6 14.0 297 297 A G T < 5S+ 0 0 58 -3,-2.1 2,-0.3 1,-0.3 -3,-0.2 0.435 77.5 139.0 105.5 0.1 14.1 28.6 11.8 298 298 A V < - 0 0 9 -5,-2.7 -1,-0.3 -6,-0.1 -2,-0.1 -0.626 30.3-165.2 -82.0 134.3 17.5 27.3 13.0 299 299 A M - 0 0 109 -2,-0.3 11,-0.2 59,-0.0 10,-0.1 -0.956 31.6 -99.7-116.8 139.5 18.0 23.5 13.1 300 300 A P + 0 0 23 0, 0.0 2,-0.3 0, 0.0 7,-0.2 -0.270 60.8 142.3 -56.9 136.9 20.8 21.8 14.9 301 301 A S - 0 0 34 5,-1.1 9,-0.3 3,-0.1 -3,-0.0 -0.920 61.7-102.8-160.2-179.6 23.6 20.8 12.5 302 302 A N S S+ 0 0 103 -2,-0.3 2,-0.3 8,-0.1 3,-0.0 0.164 95.2 67.4-102.3 18.2 27.4 20.5 12.2 303 303 A E S >> S- 0 0 123 0, 0.0 4,-1.1 0, 0.0 3,-0.9 -0.994 99.4 -42.6-139.7 144.3 27.7 23.7 10.1 304 304 A N H >> S+ 0 0 142 -2,-0.3 4,-1.6 1,-0.2 3,-0.5 -0.035 121.7 2.4 47.9-128.4 27.3 27.4 10.4 305 305 A R H 3> S+ 0 0 75 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.890 131.7 56.4 -60.5 -42.5 24.2 28.6 12.3 306 306 A G H <> S+ 0 0 6 -3,-0.9 4,-2.6 1,-0.2 -5,-1.1 0.832 105.8 51.6 -58.1 -34.9 23.0 25.0 13.1 307 307 A Y H S+ 0 0 0 -4,-1.9 5,-2.6 1,-0.2 4,-0.4 0.872 106.4 52.1 -61.8 -38.1 22.0 19.8 33.5 321 321 A N H ><5S+ 0 0 48 -4,-1.9 3,-1.5 3,-0.2 -2,-0.2 0.926 105.5 53.1 -61.5 -47.6 24.3 16.8 34.0 322 322 A M H 3<5S+ 0 0 99 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.842 108.1 51.9 -58.7 -32.6 26.4 18.6 36.5 323 323 A L T 3<5S- 0 0 27 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.563 122.8-108.6 -80.4 -10.1 23.3 19.5 38.4 324 324 A G T < 5 + 0 0 33 -3,-1.5 -3,-0.2 -4,-0.4 -2,-0.1 0.703 47.9 178.7 92.8 23.2 22.3 15.8 38.4 325 325 A A < - 0 0 23 -5,-2.6 -1,-0.2 1,-0.2 -55,-0.1 -0.387 12.2-164.0 -59.2 129.4 19.4 15.8 36.0 326 326 A K + 0 0 196 -56,-0.1 2,-0.3 -2,-0.1 -1,-0.2 0.708 65.0 26.0 -92.2 -22.7 18.2 12.1 35.8 327 327 A E S S- 0 0 136 -58,-0.3 -1,-0.1 1,-0.0 0, 0.0 -0.911 104.1 -61.6-139.0 164.4 16.1 12.4 32.6 328 328 A T + 0 0 40 -2,-0.3 -2,-0.1 1,-0.2 32,-0.1 -0.214 63.3 155.2 -45.2 124.5 15.8 14.4 29.4 329 329 A F > + 0 0 2 -4,-0.1 3,-1.1 2,-0.1 4,-0.3 0.653 38.9 83.0-131.2 -29.3 15.0 17.9 30.7 330 330 A F G > S+ 0 0 0 1,-0.3 3,-1.9 2,-0.2 4,-0.2 0.895 91.7 52.7 -63.1 -44.1 15.9 20.8 28.4 331 331 A Y G > S+ 0 0 55 1,-0.3 3,-1.4 2,-0.2 4,-0.4 0.738 96.2 71.2 -61.5 -23.4 12.8 20.8 26.2 332 332 A K G < S+ 0 0 69 -3,-1.1 -1,-0.3 1,-0.3 -2,-0.2 0.591 87.7 65.6 -70.4 -8.9 10.6 20.9 29.3 333 333 A L G <> S+ 0 0 0 -3,-1.9 4,-2.2 -4,-0.3 -1,-0.3 0.510 78.1 82.3 -92.4 -5.3 11.7 24.6 29.8 334 334 A V H <> S+ 0 0 0 -3,-1.4 4,-2.6 2,-0.2 5,-0.2 0.931 91.6 48.3 -64.7 -46.8 10.0 25.8 26.6 335 335 A G H > S+ 0 0 13 -4,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.962 112.8 47.1 -56.2 -58.5 6.6 26.1 28.4 336 336 A P H > S+ 0 0 38 0, 0.0 4,-0.9 0, 0.0 -1,-0.2 0.871 111.9 52.7 -49.1 -42.3 8.0 28.0 31.4 337 337 A L H >X S+ 0 0 0 -4,-2.2 4,-1.1 1,-0.2 3,-1.0 0.935 107.4 50.0 -62.3 -47.9 9.9 30.3 29.0 338 338 A I H >X S+ 0 0 14 -4,-2.6 3,-0.7 1,-0.2 4,-0.7 0.913 106.5 58.6 -54.5 -41.8 6.8 31.1 27.0 339 339 A D H 3< S+ 0 0 138 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.718 111.6 38.4 -63.8 -24.8 5.1 32.0 30.3 340 340 A V H << S+ 0 0 29 -3,-1.0 -1,-0.2 -4,-0.9 -2,-0.2 0.542 103.5 69.4-102.1 -9.0 7.7 34.6 31.3 341 341 A M H X< S- 0 0 1 -4,-1.1 3,-1.3 -3,-0.7 5,-0.2 0.620 74.4-168.9 -89.0 -13.4 8.3 36.2 27.9 342 342 A G G >< - 0 0 43 -4,-0.7 3,-1.7 1,-0.3 -1,-0.2 -0.287 68.3 -14.7 59.7-141.8 4.9 37.9 27.3 343 343 A S G > S+ 0 0 76 1,-0.3 3,-1.4 2,-0.2 -1,-0.3 0.730 131.4 70.5 -66.4 -21.7 4.2 39.3 23.9 344 344 A A G < S+ 0 0 20 -3,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.591 96.0 54.1 -71.4 -10.4 7.9 38.9 23.1 345 345 A G G X> S+ 0 0 1 -3,-1.7 4,-2.9 -7,-0.2 3,-0.6 0.316 72.7 108.8-103.3 8.7 7.4 35.2 23.1 346 346 A E H <> S+ 0 0 130 -3,-1.4 4,-2.3 1,-0.3 -1,-0.1 0.869 78.4 50.6 -56.6 -40.3 4.6 35.1 20.5 347 347 A D H 3> S+ 0 0 40 -4,-0.2 4,-0.7 1,-0.2 -1,-0.3 0.842 114.3 45.2 -66.8 -32.5 6.8 33.5 17.8 348 348 A L H <4 S+ 0 0 0 -3,-0.6 3,-0.5 2,-0.2 7,-0.2 0.902 111.1 51.6 -74.8 -43.9 7.9 30.8 20.2 349 349 A K H >< S+ 0 0 131 -4,-2.9 3,-1.6 1,-0.2 4,-0.2 0.913 105.2 57.8 -58.4 -43.4 4.4 30.1 21.6 350 350 A R H 3< S+ 0 0 166 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.831 118.1 31.7 -55.1 -34.9 3.2 29.7 18.0 351 351 A Q T 3X S+ 0 0 37 -4,-0.7 4,-2.6 -3,-0.5 -1,-0.3 -0.033 79.5 130.9-116.3 30.8 5.7 26.9 17.5 352 352 A Q H <> S+ 0 0 62 -3,-1.6 4,-2.8 1,-0.2 5,-0.2 0.912 73.7 45.1 -50.9 -56.1 5.9 25.4 20.9 353 353 A A H > S+ 0 0 74 -4,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.885 114.5 49.3 -59.8 -42.2 5.5 21.7 20.0 354 354 A Q H > S+ 0 0 118 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.922 112.5 46.5 -63.6 -47.1 8.0 22.0 17.1 355 355 A V H X S+ 0 0 1 -4,-2.6 4,-2.2 -7,-0.2 5,-0.2 0.915 111.2 53.3 -62.9 -42.9 10.6 23.7 19.3 356 356 A E H X S+ 0 0 51 -4,-2.8 4,-2.5 -5,-0.3 -1,-0.2 0.912 109.1 48.7 -57.7 -44.3 10.1 21.2 22.1 357 357 A Q H X S+ 0 0 104 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.896 109.5 51.4 -67.1 -39.8 10.6 18.2 19.7 358 358 A V H X S+ 0 0 18 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.927 114.2 44.3 -60.5 -45.2 13.8 19.7 18.2 359 359 A L H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.889 113.5 50.3 -67.3 -40.6 15.3 20.2 21.7 360 360 A K H X S+ 0 0 59 -4,-2.5 4,-2.6 -5,-0.2 5,-0.2 0.948 112.2 47.4 -61.7 -49.4 14.2 16.8 22.9 361 361 A T H X S+ 0 0 73 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.908 112.2 49.2 -58.7 -45.8 15.7 15.1 19.9 362 362 A E H X S+ 0 0 8 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.907 112.6 47.0 -63.4 -42.4 19.0 16.9 20.2 363 363 A E H X S+ 0 0 11 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.912 112.6 49.6 -66.5 -42.5 19.4 16.2 23.9 364 364 A E H X S+ 0 0 74 -4,-2.6 4,-0.6 -5,-0.2 -2,-0.2 0.913 111.1 50.5 -61.5 -41.9 18.5 12.5 23.3 365 365 A Q H >< S+ 0 0 84 -4,-2.5 3,-1.0 1,-0.2 4,-0.2 0.929 112.2 46.0 -60.8 -46.8 21.1 12.4 20.5 366 366 A F H >X S+ 0 0 1 -4,-2.4 3,-2.3 1,-0.2 4,-2.0 0.841 100.7 67.3 -66.4 -33.2 23.8 13.9 22.7 367 367 A A H 3< S+ 0 0 62 -4,-2.2 4,-0.4 1,-0.3 -1,-0.2 0.725 84.0 74.9 -61.8 -20.8 22.9 11.6 25.6 368 368 A R T << S+ 0 0 162 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.741 119.5 10.8 -60.1 -23.6 24.2 8.8 23.4 369 369 A T T <> S+ 0 0 24 -3,-2.3 4,-2.7 -4,-0.2 5,-0.3 0.480 102.8 94.4-132.7 -10.4 27.8 10.1 24.2 370 370 A L H X S+ 0 0 9 -4,-2.0 4,-2.5 2,-0.2 5,-0.2 0.960 92.9 36.3 -55.1 -63.4 27.5 12.7 27.0 371 371 A E H > S+ 0 0 135 -4,-0.4 4,-2.6 1,-0.2 -1,-0.2 0.900 118.2 51.9 -61.6 -40.8 28.2 10.6 30.1 372 372 A R H > S+ 0 0 162 -5,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.911 112.0 46.6 -60.8 -41.9 30.7 8.4 28.3 373 373 A G H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.877 111.5 50.7 -68.3 -38.1 32.7 11.4 27.1 374 374 A L H X S+ 0 0 18 -4,-2.5 4,-2.7 -5,-0.3 -2,-0.2 0.900 108.2 53.9 -65.3 -39.4 32.5 13.0 30.6 375 375 A A H X S+ 0 0 62 -4,-2.6 4,-2.1 -5,-0.2 -2,-0.2 0.929 110.6 46.1 -58.6 -46.9 33.9 9.7 32.0 376 376 A L H X S+ 0 0 20 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.922 111.7 50.9 -60.6 -46.1 36.8 9.9 29.5 377 377 A L H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.919 110.2 49.8 -60.4 -43.3 37.5 13.6 30.3 378 378 A D H X S+ 0 0 69 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.911 110.4 51.2 -58.6 -44.1 37.5 12.8 34.0 379 379 A E H X S+ 0 0 106 -4,-2.1 4,-1.0 1,-0.2 -2,-0.2 0.922 113.4 44.1 -58.3 -46.7 39.9 9.9 33.4 380 380 A E H < S+ 0 0 37 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.842 114.3 48.9 -70.5 -35.5 42.3 12.2 31.4 381 381 A L H >< S+ 0 0 25 -4,-2.6 3,-0.9 -5,-0.2 -1,-0.2 0.853 103.6 61.7 -71.1 -35.5 42.1 15.1 33.9 382 382 A A H 3< S+ 0 0 91 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.822 115.3 32.0 -60.2 -34.1 42.8 12.7 36.8 383 383 A K T 3< S+ 0 0 130 -4,-1.0 -1,-0.3 -5,-0.1 2,-0.2 0.266 91.9 127.4-107.6 9.9 46.2 11.8 35.4 384 384 A L < - 0 0 47 -3,-0.9 2,-0.6 -4,-0.1 5,-0.1 -0.491 46.5-154.0 -71.7 131.4 46.8 15.2 33.7 385 385 A S + 0 0 118 -2,-0.2 3,-0.2 3,-0.1 2,-0.2 -0.943 63.3 12.4-105.6 120.4 50.1 16.8 34.6 386 386 A G S S- 0 0 55 -2,-0.6 -2,-0.0 1,-0.1 3,-0.0 -0.530 96.4 -73.7 106.2-177.2 50.0 20.6 34.2 387 387 A D S S+ 0 0 81 -2,-0.2 31,-3.6 30,-0.1 2,-0.4 0.250 102.1 77.0-104.1 11.5 47.1 23.1 33.8 388 388 A T E S-o 418 0E 49 29,-0.2 31,-0.2 -3,-0.2 2,-0.2 -0.970 70.1-135.8-134.7 120.2 46.3 22.4 30.2 389 389 A L E -o 419 0E 0 29,-3.5 31,-2.5 -2,-0.4 -8,-0.0 -0.515 39.5-108.9 -67.1 134.4 44.4 19.5 28.6 390 390 A D > - 0 0 60 -2,-0.2 4,-1.7 29,-0.2 3,-0.3 -0.303 16.8-124.1 -68.6 151.1 46.2 18.2 25.5 391 391 A G H > S+ 0 0 3 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.795 108.0 62.2 -65.9 -31.8 44.7 18.9 22.0 392 392 A E H > S+ 0 0 124 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.923 106.3 45.5 -59.6 -44.2 44.7 15.2 21.1 393 393 A T H > S+ 0 0 3 -3,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.903 111.8 50.8 -66.8 -43.3 42.2 14.5 23.9 394 394 A A H X S+ 0 0 0 -4,-1.7 4,-1.7 1,-0.2 -1,-0.2 0.899 112.3 48.5 -59.5 -39.8 40.0 17.5 23.1 395 395 A F H X S+ 0 0 19 -4,-2.4 4,-3.4 2,-0.2 5,-0.3 0.872 108.7 52.3 -71.2 -36.4 40.0 16.3 19.5 396 396 A R H X>S+ 0 0 98 -4,-2.2 4,-2.7 2,-0.2 5,-0.8 0.902 108.7 50.8 -63.8 -40.2 39.1 12.8 20.5 397 397 A L H X5S+ 0 0 0 -4,-2.4 6,-2.2 3,-0.2 4,-0.7 0.885 115.7 43.7 -63.9 -36.0 36.2 14.1 22.6 398 398 A Y H X5S+ 0 0 75 -4,-1.7 4,-1.0 4,-0.3 -2,-0.2 0.947 120.2 38.7 -68.6 -52.3 35.1 16.1 19.5 399 399 A D H <5S+ 0 0 83 -4,-3.4 -3,-0.2 2,-0.2 -2,-0.2 0.882 129.5 26.9 -74.2 -40.8 35.6 13.3 17.0 400 400 A T H <5S+ 0 0 81 -4,-2.7 -3,-0.2 -5,-0.3 -1,-0.1 0.861 133.8 28.2 -89.6 -39.0 34.3 10.3 19.0 401 401 A Y H <> - 0 0 2 0, 0.0 4,-2.0 0, 0.0 3,-1.1 -0.395 23.8-116.2 -58.8 147.2 32.4 20.8 20.7 405 405 A V H 3> S+ 0 0 24 1,-0.3 4,-2.5 2,-0.2 5,-0.1 0.848 116.1 54.1 -58.2 -35.0 35.9 22.1 21.8 406 406 A D H 3> S+ 0 0 21 2,-0.2 4,-1.5 1,-0.2 -1,-0.3 0.768 105.5 53.6 -71.0 -25.4 34.2 25.0 23.7 407 407 A L H <> S+ 0 0 0 -3,-1.1 4,-2.0 2,-0.2 -2,-0.2 0.922 110.2 46.9 -70.9 -46.5 32.1 22.5 25.6 408 408 A T H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.930 112.3 50.5 -56.7 -46.4 35.2 20.6 26.7 409 409 A A H X S+ 0 0 4 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.841 106.7 55.7 -61.7 -34.6 36.8 24.0 27.6 410 410 A D H X S+ 0 0 3 -4,-1.5 4,-1.2 2,-0.2 -1,-0.2 0.915 109.3 45.3 -64.8 -45.1 33.8 24.9 29.7 411 411 A V H < S+ 0 0 2 -4,-2.0 3,-0.4 1,-0.2 4,-0.3 0.931 115.9 46.8 -63.2 -45.8 34.0 21.7 31.7 412 412 A C H ><>S+ 0 0 0 -4,-2.4 5,-2.5 1,-0.2 3,-1.9 0.878 104.6 60.6 -64.8 -39.6 37.8 22.2 32.2 413 413 A R H ><5S+ 0 0 108 -4,-2.6 3,-1.8 1,-0.3 -1,-0.2 0.842 96.0 61.8 -57.6 -35.9 37.4 25.9 33.1 414 414 A E T 3<5S+ 0 0 49 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.623 108.8 42.9 -65.3 -14.2 35.3 24.8 36.1 415 415 A R T < 5S- 0 0 119 -3,-1.9 -1,-0.3 -4,-0.3 -2,-0.2 0.072 121.7-105.9-117.6 20.5 38.3 23.0 37.4 416 416 A N T < 5S+ 0 0 147 -3,-1.8 2,-0.4 1,-0.2 -3,-0.2 0.840 78.2 135.4 54.8 38.4 40.8 25.7 36.6 417 417 A I < - 0 0 34 -5,-2.5 -29,-0.2 -8,-0.1 -1,-0.2 -0.947 42.7-147.7-116.8 136.9 42.1 23.7 33.6 418 418 A K E -o 388 0E 127 -31,-3.6 -29,-3.5 -2,-0.4 2,-0.4 -0.506 10.4-129.3 -94.5 167.4 42.8 25.1 30.2 419 419 A V E -o 389 0E 17 -31,-0.2 2,-1.6 -2,-0.2 -29,-0.2 -0.970 19.5-122.9-118.4 134.2 42.5 23.5 26.7 420 420 A D > + 0 0 66 -31,-2.5 4,-1.9 -2,-0.4 5,-0.1 -0.599 33.0 178.6 -74.6 89.3 45.3 23.5 24.2 421 421 A E H > S+ 0 0 73 -2,-1.6 4,-2.5 1,-0.2 -1,-0.2 0.856 78.6 54.5 -61.9 -39.5 43.3 25.1 21.4 422 422 A A H > S+ 0 0 66 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.909 108.8 48.8 -60.5 -44.1 46.3 25.1 19.0 423 423 A G H > S+ 0 0 19 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.861 110.4 51.2 -63.6 -37.8 46.7 21.4 19.6 424 424 A F H X S+ 0 0 14 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.922 111.5 47.1 -64.4 -44.7 43.1 20.8 18.9 425 425 A E H X S+ 0 0 114 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.848 109.7 53.7 -67.2 -34.9 43.3 22.8 15.7 426 426 A A H X S+ 0 0 44 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.889 109.3 48.7 -64.6 -41.2 46.5 20.9 14.6 427 427 A A H X S+ 0 0 12 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.877 111.2 50.2 -65.1 -40.7 44.6 17.6 15.1 428 428 A M H X S+ 0 0 83 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.924 111.8 47.8 -63.2 -43.8 41.7 18.9 13.1 429 429 A E H X S+ 0 0 80 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.887 108.3 54.5 -65.4 -40.1 44.1 19.9 10.3 430 430 A E H X S+ 0 0 112 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.903 110.4 47.1 -58.6 -41.8 45.9 16.6 10.4 431 431 A Q H X S+ 0 0 64 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.898 108.6 54.3 -68.7 -40.2 42.5 14.9 9.9 432 432 A R H X S+ 0 0 110 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.912 108.2 50.8 -56.0 -43.6 41.6 17.3 7.1 433 433 A R H X S+ 0 0 145 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.876 109.0 50.2 -63.4 -39.6 44.9 16.3 5.4 434 434 A R H X S+ 0 0 140 -4,-1.8 4,-2.3 2,-0.2 5,-0.2 0.901 109.8 51.3 -64.0 -41.4 44.0 12.6 5.7 435 435 A A H X S+ 0 0 58 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.912 111.3 47.9 -62.5 -42.7 40.6 13.2 4.2 436 436 A R H X S+ 0 0 144 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.908 111.1 49.7 -63.5 -44.6 42.2 15.0 1.2 437 437 A E H < S+ 0 0 164 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.929 116.3 42.3 -62.2 -43.5 44.8 12.3 0.6 438 438 A A H < S+ 0 0 91 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.876 116.0 47.2 -73.1 -36.6 42.1 9.6 0.7 439 439 A S H < S- 0 0 96 -4,-2.4 2,-0.2 -5,-0.2 -2,-0.2 0.830 92.2-169.6 -78.0 -30.3 39.5 11.5 -1.4 440 440 A G < 0 0 45 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.1 -0.515 360.0 360.0 83.3-143.9 42.0 12.6 -4.1 441 441 A F 0 0 276 -2,-0.2 -4,-0.0 -4,-0.1 0, 0.0 -0.263 360.0 360.0 -61.6 360.0 41.3 15.1 -6.9 442 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 443 444 A X 0 0 16 0, 0.0 -207,-0.1 0, 0.0 -400,-0.1 0.000 360.0 360.0 360.0 360.0 24.0 49.6 19.5