==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 20-SEP-96 1IOV . COMPND 2 MOLECULE: D-ALA\:D-ALA LIGASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.R.KNOX,P.C.MOEWS,C.FAN . 306 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12942.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 207 67.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 5.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 43 14.1 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 26 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 79 25.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.0 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 2 1 0 1 2 2 1 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 1 3 0 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 M 0 0 162 0, 0.0 2,-7.2 0, 0.0 35,-0.0 0.000 360.0 360.0 360.0 143.8 6.9 21.4 71.7 2 2 A T + 0 0 93 1,-0.2 2,-2.0 3,-0.0 54,-0.0 -0.168 360.0 76.6 65.9 -54.4 3.8 19.4 72.5 3 3 A D S S- 0 0 74 -2,-7.2 2,-0.6 53,-0.1 33,-0.6 -0.622 77.1-177.7 -86.6 71.7 4.2 18.8 68.8 4 4 A K E -ab 36 55A 58 -2,-2.0 52,-2.5 50,-0.6 53,-1.2 -0.745 13.2-150.5 -77.6 114.7 7.0 16.4 69.4 5 5 A I E -ab 37 57A 3 31,-3.3 33,-0.7 -2,-0.6 2,-0.5 -0.690 3.3-148.8 -95.3 145.1 8.2 15.4 65.9 6 6 A A E -ab 38 58A 0 51,-1.2 53,-5.3 -2,-0.3 2,-0.7 -0.973 4.4-161.6-121.3 124.3 9.7 12.0 65.2 7 7 A V E -ab 39 59A 0 31,-2.8 33,-2.0 -2,-0.5 2,-0.7 -0.940 16.2-147.2-105.3 105.0 12.3 11.5 62.5 8 8 A L E +ab 40 60A 0 51,-2.2 53,-1.0 -2,-0.7 2,-0.3 -0.680 28.4 177.2 -79.3 110.0 12.4 7.8 61.7 9 9 A L - 0 0 17 31,-1.2 2,-0.9 -2,-0.7 34,-0.4 -0.871 42.6 -4.4-120.2 152.9 16.0 7.0 60.8 10 10 A G > + 0 0 0 51,-0.5 3,-0.5 -2,-0.3 53,-0.4 -0.617 63.1 164.8 77.6 -98.4 17.9 3.9 59.8 11 11 A G T 3 - 0 0 3 -2,-0.9 32,-0.1 1,-0.2 55,-0.1 -0.506 59.1 -64.7 81.1-150.8 15.7 0.8 60.1 12 12 A T T 3 S+ 0 0 114 53,-0.2 -1,-0.2 -2,-0.2 54,-0.1 0.179 87.2 117.8-122.8 19.2 16.8 -2.4 58.4 13 13 A S S X S- 0 0 24 -3,-0.5 3,-0.6 50,-0.2 51,-0.1 -0.018 80.4-104.7 -73.7-175.0 16.9 -1.8 54.7 14 14 A A T 3 S+ 0 0 53 1,-0.2 3,-0.2 2,-0.1 -1,-0.1 0.476 124.4 59.6 -84.9 -7.9 20.1 -2.0 52.6 15 15 A E T >> + 0 0 7 48,-0.3 4,-2.9 1,-0.1 3,-0.7 0.174 69.3 116.7-104.3 6.2 19.9 1.8 52.7 16 16 A R H <> S+ 0 0 65 -3,-0.6 4,-2.2 1,-0.2 -6,-0.2 0.668 73.3 49.9 -50.7 -34.9 20.0 2.0 56.5 17 17 A E H 3> S+ 0 0 125 2,-0.2 4,-0.8 -3,-0.2 -1,-0.2 0.805 113.9 45.4 -79.8 -31.0 23.3 4.0 56.6 18 18 A V H <> S+ 0 0 5 -3,-0.7 4,-2.4 2,-0.2 259,-0.3 0.889 112.3 53.6 -71.6 -44.8 22.1 6.5 54.1 19 19 A S H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 3,-0.4 0.959 107.9 49.1 -51.9 -56.7 18.8 6.5 56.1 20 20 A L H X S+ 0 0 34 -4,-2.2 4,-1.3 1,-0.3 -1,-0.2 0.716 110.4 52.0 -54.9 -31.3 20.8 7.4 59.3 21 21 A N H X S+ 0 0 84 -4,-0.8 4,-1.2 -3,-0.3 -1,-0.3 0.869 109.4 48.8 -77.7 -37.6 22.6 10.1 57.4 22 22 A S H X S+ 0 0 1 -4,-2.4 4,-2.5 -3,-0.4 3,-0.5 0.932 111.4 49.8 -64.0 -50.4 19.3 11.6 56.2 23 23 A G H X S+ 0 0 0 -4,-2.5 4,-2.2 38,-0.5 -1,-0.2 0.843 107.3 53.6 -54.4 -45.8 17.8 11.5 59.7 24 24 A A H X S+ 0 0 54 -4,-1.3 4,-1.1 1,-0.2 -1,-0.2 0.812 115.3 41.5 -60.8 -36.4 20.9 13.2 61.2 25 25 A A H X S+ 0 0 30 -4,-1.2 4,-2.1 -3,-0.5 -2,-0.2 0.771 117.0 44.7 -82.1 -39.0 20.5 16.1 58.7 26 26 A V H X S+ 0 0 0 -4,-2.5 4,-3.0 2,-0.2 -2,-0.2 0.779 111.0 57.2 -76.2 -30.3 16.7 16.4 58.8 27 27 A L H X S+ 0 0 22 -4,-2.2 4,-1.2 -5,-0.3 -2,-0.2 0.934 112.3 40.2 -64.3 -48.2 17.0 16.2 62.6 28 28 A A H X S+ 0 0 46 -4,-1.1 4,-2.1 2,-0.2 -2,-0.2 0.877 115.3 52.5 -62.5 -49.7 19.4 19.2 62.6 29 29 A G H X S+ 0 0 0 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.904 110.7 45.8 -55.4 -51.4 17.3 20.9 60.0 30 30 A L H <>S+ 0 0 0 -4,-3.0 5,-3.3 1,-0.2 -1,-0.2 0.766 113.6 51.2 -65.9 -29.4 14.1 20.6 62.0 31 31 A R H <5S+ 0 0 126 -4,-1.2 3,-0.5 3,-0.2 -2,-0.2 0.758 108.8 48.7 -79.2 -29.4 16.0 21.7 65.1 32 32 A E H <5S+ 0 0 146 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.817 109.2 55.7 -74.2 -33.4 17.3 24.9 63.4 33 33 A G T <5S- 0 0 39 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.472 126.2-105.2 -73.1 -12.0 13.8 25.5 62.2 34 34 A G T 5S+ 0 0 65 -3,-0.5 2,-0.3 1,-0.3 -3,-0.2 0.675 73.1 136.1 89.5 24.5 12.7 25.4 65.8 35 35 A I < - 0 0 38 -5,-3.3 2,-1.2 -6,-0.1 -1,-0.3 -0.779 59.5-122.8-102.8 146.1 11.0 22.0 66.0 36 36 A D E +a 4 0A 52 -33,-0.6 -31,-3.3 -2,-0.3 2,-0.3 -0.785 47.0 180.0 -87.2 98.1 11.4 19.4 68.8 37 37 A A E -a 5 0A 0 -2,-1.2 -31,-0.2 -33,-0.2 -10,-0.0 -0.703 14.0-154.5-102.9 154.3 12.6 16.5 66.7 38 38 A Y E -a 6 0A 70 -33,-0.7 -31,-2.8 -2,-0.3 2,-0.9 -0.980 19.8-129.1-141.8 132.0 13.6 13.0 67.7 39 39 A P E +a 7 0A 74 0, 0.0 2,-0.6 0, 0.0 -31,-0.2 -0.611 33.1 176.1 -76.1 105.6 15.8 10.2 66.4 40 40 A V E -a 8 0A 3 -33,-2.0 -31,-1.2 -2,-0.9 -2,-0.1 -0.939 10.2-167.0-116.8 96.4 13.5 7.2 66.4 41 41 A D >> - 0 0 14 -2,-0.6 4,-1.5 -33,-0.2 3,-1.4 -0.846 14.3-152.9 -91.7 113.4 15.4 4.2 64.9 42 42 A P T 34 S+ 0 0 44 0, 0.0 5,-0.2 0, 0.0 -1,-0.1 0.580 91.4 76.2 -59.4 -12.2 12.8 1.5 64.1 43 43 A K T 34 S+ 0 0 112 -34,-0.4 3,-0.1 -32,-0.1 -33,-0.0 0.153 117.3 10.5 -86.6 17.3 15.8 -0.9 64.6 44 44 A E T <4 S+ 0 0 162 -3,-1.4 2,-0.3 1,-0.5 -4,-0.0 0.166 119.6 62.1-149.2 -75.0 15.4 -0.3 68.4 45 45 A V S < S- 0 0 36 -4,-1.5 2,-0.6 1,-0.1 -1,-0.5 -0.525 83.9-120.3 -68.8 126.5 12.3 1.5 69.3 46 46 A D > - 0 0 88 -2,-0.3 3,-1.7 1,-0.2 -1,-0.1 -0.635 18.6-151.3 -70.1 111.8 9.0 -0.3 68.4 47 47 A V G > S+ 0 0 25 -2,-0.6 3,-0.5 1,-0.3 -1,-0.2 0.430 88.7 75.6 -65.7 -1.3 7.4 2.3 66.1 48 48 A T G > S+ 0 0 83 1,-0.2 3,-0.7 2,-0.1 -1,-0.3 0.817 91.2 50.0 -80.0 -34.6 4.1 1.0 67.2 49 49 A Q G <> S+ 0 0 100 -3,-1.7 4,-1.5 1,-0.2 -1,-0.2 0.204 78.9 106.9 -89.5 16.7 4.3 2.7 70.6 50 50 A L G <4>S+ 0 0 0 -3,-0.5 5,-1.2 1,-0.2 -1,-0.2 0.792 80.9 50.4 -61.0 -31.6 5.1 5.9 68.6 51 51 A K T X45S+ 0 0 101 -3,-0.7 3,-1.1 1,-0.2 -1,-0.2 0.890 107.6 51.7 -72.9 -42.1 1.6 6.9 69.6 52 52 A S T 345S+ 0 0 110 1,-0.2 -2,-0.2 -4,-0.2 -1,-0.2 0.675 100.1 65.9 -67.6 -23.6 2.3 6.1 73.2 53 53 A M T 3<5S- 0 0 80 -4,-1.5 -1,-0.2 2,-0.0 -2,-0.2 0.511 112.9-110.0 -80.8 -8.3 5.4 8.2 73.2 54 54 A G T < 5 + 0 0 30 -3,-1.1 -50,-0.6 1,-0.3 2,-0.2 0.606 61.6 154.3 90.5 13.4 3.6 11.6 72.6 55 55 A F E < -b 4 0A 12 -5,-1.2 -1,-0.3 1,-0.1 -50,-0.2 -0.530 23.2-174.2 -73.0 142.1 4.7 12.2 69.0 56 56 A Q E S+ 0 0 82 -52,-2.5 2,-0.3 1,-0.3 -51,-0.2 0.596 70.4 17.4-108.9 -19.6 2.1 14.4 67.2 57 57 A K E -b 5 0A 47 -53,-1.2 -51,-1.2 24,-0.2 2,-0.4 -0.950 68.3-141.6-150.0 160.2 3.8 14.1 63.8 58 58 A V E -bc 6 83A 0 24,-1.5 26,-1.1 -2,-0.3 2,-0.7 -0.996 1.8-154.1-135.8 134.0 6.3 11.9 62.1 59 59 A F E -b 7 0A 0 -53,-5.3 -51,-2.2 -2,-0.4 2,-1.2 -0.947 17.3-144.2-106.7 111.6 9.1 12.7 59.6 60 60 A I E +b 8 0A 5 -2,-0.7 -51,-0.1 -53,-0.2 -53,-0.1 -0.669 33.2 160.7 -79.7 91.4 9.9 9.7 57.4 61 61 A A + 0 0 3 -2,-1.2 -38,-0.5 -53,-1.0 -51,-0.5 -0.174 43.2 111.8-103.5 33.8 13.7 10.0 57.0 62 62 A L - 0 0 6 5,-0.2 2,-0.4 -53,-0.2 -51,-0.1 -0.827 51.9-156.7-114.4 145.3 13.8 6.3 56.0 63 63 A H + 0 0 4 -53,-0.4 -48,-0.3 -2,-0.3 -50,-0.2 -0.991 48.8 8.6-126.6 134.0 14.6 4.7 52.7 64 64 A G S >>>S- 0 0 0 -2,-0.4 4,-3.8 -51,-0.1 3,-2.3 -0.182 99.5 -14.3 95.0 178.9 13.6 1.3 51.4 65 65 A R T 345S+ 0 0 84 82,-0.5 -53,-0.2 1,-0.3 -2,-0.1 -0.315 128.1 34.2 -52.9 138.5 11.3 -1.6 52.2 66 66 A G T 345S+ 0 0 47 -55,-0.1 6,-0.4 -54,-0.1 -1,-0.3 -0.310 134.2 30.5 105.1 -41.2 10.2 -1.3 55.8 67 67 A G T <45S+ 0 0 0 -3,-2.3 -2,-0.2 4,-0.1 -5,-0.2 0.604 122.3 38.6-120.0 -24.3 10.2 2.5 55.5 68 68 A E T <5S+ 0 0 6 -4,-3.8 -3,-0.2 4,-0.1 27,-0.2 0.549 98.6 75.0-108.9 -12.9 9.3 3.5 51.9 69 69 A D S S+ 0 0 12 1,-0.2 4,-1.7 2,-0.1 5,-0.2 0.469 104.8 92.6 -82.1 -2.8 3.1 1.3 52.2 71 71 A T H >> S+ 0 0 87 2,-0.2 4,-1.4 1,-0.2 3,-1.1 0.967 89.4 33.9 -54.8 -73.5 3.8 -0.7 55.4 72 72 A L H 3> S+ 0 0 14 -6,-0.4 4,-2.3 1,-0.3 3,-0.2 0.849 116.2 58.1 -51.7 -44.9 4.8 2.0 58.0 73 73 A Q H 3> S+ 0 0 4 -4,-0.5 4,-2.1 1,-0.2 -1,-0.3 0.780 101.3 55.6 -53.2 -37.8 2.3 4.5 56.4 74 74 A G H X S+ 0 0 44 -4,-1.4 4,-2.1 -3,-0.2 3,-1.6 0.994 111.1 49.4 -58.1 -66.7 0.4 1.9 60.7 76 76 A L H 3X>S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.3 5,-2.0 0.765 108.9 53.8 -41.1 -47.2 0.7 5.7 61.0 77 77 A E H 3<5S+ 0 0 88 -4,-2.1 -1,-0.3 2,-0.2 -2,-0.2 0.779 111.2 44.7 -61.4 -37.6 -2.7 6.2 59.4 78 78 A L H <<5S+ 0 0 157 -3,-1.6 -2,-0.2 -4,-1.4 -1,-0.2 0.764 111.9 53.7 -82.0 -27.1 -4.4 3.8 61.8 79 79 A M H <5S- 0 0 28 -4,-2.1 -2,-0.2 2,-0.1 -3,-0.2 0.865 111.8-121.3 -71.4 -40.8 -2.6 5.4 64.7 80 80 A G T <5 + 0 0 60 -4,-2.1 -3,-0.2 1,-0.3 -4,-0.1 0.569 65.8 134.5 105.2 18.7 -3.8 8.9 63.7 81 81 A L < - 0 0 9 -5,-2.0 -1,-0.3 -6,-0.1 -24,-0.2 -0.852 52.6-128.0-102.9 131.1 -0.4 10.5 63.2 82 82 A P - 0 0 27 0, 0.0 -24,-1.5 0, 0.0 2,-0.3 -0.395 24.9-166.9 -75.2 152.1 0.5 12.6 60.3 83 83 A Y B -c 58 0A 0 -26,-0.2 223,-2.2 2,-0.2 -24,-0.2 -0.929 26.2-110.0-137.1 159.4 3.6 11.7 58.3 84 84 A T S S+ 0 0 1 -26,-1.1 2,-0.1 -2,-0.3 220,-0.1 0.736 77.8 23.1 -68.2 -38.6 5.5 13.7 55.6 85 85 A G S S- 0 0 5 1,-0.3 167,-0.2 167,-0.2 221,-0.2 -0.331 92.8 -6.2-119.8-157.3 5.1 12.1 52.2 86 86 A S - 0 0 1 165,-0.9 -1,-0.3 167,-0.6 164,-0.1 0.211 67.1-109.3 -29.5 134.8 3.1 9.9 49.8 87 87 A G > - 0 0 13 162,-0.5 4,-0.9 3,-0.1 5,-0.1 0.223 44.6 -80.2 -57.7-174.7 0.1 8.0 51.0 88 88 A V H > S+ 0 0 62 1,-0.2 4,-1.2 2,-0.2 3,-0.3 0.880 127.2 43.6 -60.0 -50.9 -0.0 4.2 51.5 89 89 A M H > S+ 0 0 108 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.853 111.7 51.3 -69.0 -39.0 -0.7 3.3 47.8 90 90 A A H > S+ 0 0 2 159,-0.3 4,-1.1 1,-0.2 -1,-0.2 0.674 109.5 52.3 -73.0 -15.6 1.9 5.7 46.3 91 91 A S H X S+ 0 0 0 -4,-0.9 4,-1.0 -3,-0.3 -1,-0.2 0.776 112.2 44.0 -86.4 -35.4 4.6 4.4 48.6 92 92 A A H < S+ 0 0 45 -4,-1.2 4,-0.4 -23,-0.3 -2,-0.2 0.787 115.9 48.8 -80.5 -31.5 3.9 0.7 47.6 93 93 A L H >< S+ 0 0 31 -4,-1.9 3,-0.5 155,-0.2 7,-0.4 0.863 111.2 48.4 -71.5 -45.1 3.7 1.6 43.9 94 94 A S H 3< S+ 0 0 3 -4,-1.1 177,-0.6 1,-0.2 -2,-0.2 0.780 105.2 57.6 -66.0 -35.6 6.9 3.6 43.9 95 95 A M T 3< S+ 0 0 7 -4,-1.0 2,-0.8 -27,-0.2 -1,-0.2 0.636 95.2 74.6 -73.2 -17.9 8.9 1.0 45.6 96 96 A D <> - 0 0 10 -3,-0.5 4,-2.6 -4,-0.4 5,-0.2 -0.883 58.3-176.2-103.3 103.9 8.0 -1.5 42.9 97 97 A K H > S+ 0 0 14 49,-2.2 4,-0.6 -2,-0.8 -1,-0.2 0.767 87.1 54.4 -66.8 -28.3 10.0 -0.6 39.8 98 98 A L H > S+ 0 0 13 2,-0.2 4,-1.1 1,-0.1 -1,-0.2 0.855 115.1 33.6 -74.5 -42.9 8.1 -3.4 38.1 99 99 A R H > S+ 0 0 121 2,-0.2 4,-1.7 1,-0.2 5,-0.2 0.791 114.0 58.7 -84.3 -30.6 4.6 -2.2 38.9 100 100 A S H X S+ 0 0 2 -4,-2.6 4,-1.2 -7,-0.4 -2,-0.2 0.768 107.5 52.2 -65.3 -28.5 5.5 1.5 38.7 101 101 A K H X S+ 0 0 3 -4,-0.6 4,-2.0 -5,-0.2 5,-0.2 0.878 106.9 48.1 -75.1 -44.7 6.5 0.6 35.2 102 102 A L H X S+ 0 0 84 -4,-1.1 4,-0.9 2,-0.2 -2,-0.2 0.815 112.7 49.5 -69.7 -32.2 3.3 -1.1 34.1 103 103 A L H X S+ 0 0 65 -4,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.862 113.1 45.9 -73.3 -41.2 1.1 1.7 35.4 104 104 A W H <>S+ 0 0 3 -4,-1.2 5,-4.7 2,-0.2 -2,-0.2 0.876 117.1 43.0 -65.4 -44.3 3.2 4.4 33.6 105 105 A Q H ><5S+ 0 0 103 -4,-2.0 3,-1.2 3,-0.3 -2,-0.2 0.799 109.0 62.6 -72.0 -27.3 3.2 2.3 30.4 106 106 A G H 3<5S+ 0 0 65 -4,-0.9 -2,-0.2 1,-0.3 -1,-0.2 0.871 107.6 40.8 -64.0 -41.6 -0.5 1.8 31.2 107 107 A A T 3<5S- 0 0 61 -4,-1.6 -1,-0.3 137,-0.0 -2,-0.2 0.138 125.4-102.2 -93.4 13.2 -1.1 5.5 30.9 108 108 A G T < 5 + 0 0 63 -3,-1.2 -3,-0.3 1,-0.2 -2,-0.1 0.760 65.9 159.7 69.1 30.0 1.2 5.8 27.9 109 109 A L < - 0 0 15 -5,-4.7 2,-1.2 -6,-0.1 -1,-0.2 -0.569 55.0 -99.1 -82.5 148.1 4.2 7.3 29.8 110 110 A P + 0 0 36 0, 0.0 158,-2.2 0, 0.0 2,-0.3 -0.555 58.2 168.5 -70.3 96.8 7.6 6.9 28.1 111 111 A V B -d 268 0B 12 -2,-1.2 158,-0.1 156,-0.2 3,-0.1 -0.829 37.1-106.0-111.1 148.3 9.0 3.9 30.0 112 112 A A - 0 0 0 156,-0.7 2,-0.1 -2,-0.3 -7,-0.1 -0.530 41.6 -97.3 -78.7 146.4 12.1 1.9 29.0 113 113 A P + 0 0 53 0, 0.0 68,-2.3 0, 0.0 2,-0.2 -0.396 57.0 171.1 -60.8 131.6 11.7 -1.5 27.4 114 114 A W E -J 180 0C 54 66,-0.2 2,-0.2 -2,-0.1 66,-0.2 -0.776 32.1-148.4-135.6 179.9 12.1 -4.2 30.1 115 115 A V E -J 179 0C 19 64,-1.7 64,-1.2 -2,-0.2 2,-0.1 -0.788 21.4-145.3-156.7 105.7 11.7 -7.9 30.8 116 116 A A E -J 178 0C 35 -2,-0.2 2,-0.3 62,-0.2 62,-0.2 -0.414 15.6-175.8 -78.3 150.1 10.7 -9.1 34.3 117 117 A L E -J 177 0C 0 60,-2.2 60,-3.2 -2,-0.1 2,-0.2 -0.966 13.2-147.4-140.6 146.4 12.0 -12.2 35.9 118 118 A T E > -J 176 0C 49 -2,-0.3 4,-0.8 58,-0.2 58,-0.3 -0.636 30.6-111.8-107.1 167.7 11.1 -13.8 39.2 119 119 A R H > S+ 0 0 75 56,-2.0 4,-2.1 -2,-0.2 3,-0.3 0.898 117.8 55.8 -70.0 -39.3 13.6 -15.8 41.3 120 120 A A H 4 S+ 0 0 50 1,-0.3 -1,-0.2 2,-0.2 55,-0.0 0.740 106.5 48.3 -62.0 -30.3 11.6 -19.0 40.7 121 121 A E H > S+ 0 0 71 1,-0.2 4,-0.8 2,-0.1 3,-0.4 0.741 113.1 54.6 -78.8 -22.1 11.8 -18.5 36.9 122 122 A F H < S+ 0 0 29 -4,-0.8 4,-0.4 -3,-0.3 3,-0.3 0.890 104.7 46.2 -75.2 -50.5 15.5 -17.9 37.7 123 123 A E T < S+ 0 0 130 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.1 0.163 111.5 57.5 -83.4 17.0 16.4 -21.1 39.6 124 124 A K T 4 S- 0 0 151 -3,-0.4 -1,-0.2 -5,-0.2 -2,-0.2 0.666 121.7 -92.0-111.3 -38.7 14.6 -23.2 36.9 125 125 A G < - 0 0 51 -4,-0.8 -3,-0.2 -3,-0.3 3,-0.2 0.652 38.9-115.4 111.0 87.9 16.5 -22.1 33.8 126 126 A L - 0 0 27 -4,-0.4 4,-0.1 1,-0.1 5,-0.1 -0.170 52.5 -81.6 -43.2 136.6 14.9 -19.1 32.0 127 127 A S > - 0 0 59 1,-0.2 3,-3.2 2,-0.1 4,-0.4 -0.089 25.8-131.9 -46.5 138.6 13.7 -20.4 28.6 128 128 A D T 3 S+ 0 0 118 1,-0.3 -1,-0.2 2,-0.2 -2,-0.1 0.246 121.0 55.8 -76.0 12.7 16.6 -20.4 26.1 129 129 A K T 3 S+ 0 0 143 2,-0.1 -1,-0.3 3,-0.0 -2,-0.1 0.100 90.2 66.0-127.9 3.8 13.6 -18.7 24.5 130 130 A Q S <> S+ 0 0 43 -3,-3.2 4,-1.4 2,-0.2 -2,-0.2 0.307 93.5 63.3-108.7 -3.7 13.2 -16.1 27.3 131 131 A L H > S+ 0 0 54 -4,-0.4 4,-2.3 2,-0.2 -3,-0.1 0.520 90.1 65.9 -92.6 -16.6 16.6 -14.8 26.1 132 132 A A H 4 S+ 0 0 63 2,-0.2 4,-0.2 3,-0.2 -1,-0.2 0.766 104.7 46.2 -72.3 -31.4 14.8 -14.1 22.9 133 133 A E H >4 S+ 0 0 103 2,-0.2 3,-1.3 1,-0.1 -2,-0.2 0.977 116.9 41.2 -69.8 -64.4 12.9 -11.6 25.0 134 134 A I H >< S+ 0 0 2 -4,-1.4 3,-0.6 1,-0.3 -2,-0.2 0.682 114.0 51.8 -57.5 -33.9 15.9 -10.1 26.7 135 135 A S T 3< S+ 0 0 59 -4,-2.3 -1,-0.3 1,-0.2 3,-0.2 0.466 96.5 66.8 -89.9 -0.9 18.1 -10.1 23.6 136 136 A A T < S+ 0 0 83 -3,-1.3 -1,-0.2 -4,-0.2 -2,-0.2 0.221 92.4 67.6 -95.8 9.0 15.4 -8.2 21.5 137 137 A L S < S- 0 0 24 -3,-0.6 -1,-0.2 1,-0.3 2,-0.2 0.630 103.5-132.0 -98.8 -23.5 16.2 -5.4 24.0 138 138 A G - 0 0 31 -3,-0.2 -1,-0.3 -4,-0.2 21,-0.1 -0.472 37.2 -28.0 99.9-170.1 19.7 -4.8 22.7 139 139 A L S S+ 0 0 126 -2,-0.2 2,-0.2 19,-0.1 19,-0.1 -0.999 108.9 24.9-133.9 133.4 23.0 -4.4 24.3 140 140 A P + 0 0 25 0, 0.0 42,-1.4 0, 0.0 2,-0.3 0.647 67.7 179.3 -84.8-166.1 23.7 -3.4 26.9 141 141 A V E -KL 157 181C 4 16,-1.7 16,-3.1 40,-0.2 2,-0.5 -0.941 24.1-131.9-147.3 145.9 20.9 -3.8 29.4 142 142 A I E -KL 156 180C 17 38,-2.7 38,-2.4 -2,-0.3 2,-0.4 -0.968 18.4-153.8-111.6 124.9 20.9 -2.8 33.1 143 143 A V E +KL 155 179C 0 12,-2.2 12,-1.9 -2,-0.5 36,-0.2 -0.853 21.3 179.8 -98.0 128.1 19.6 -5.5 35.4 144 144 A K E - L 0 178C 10 34,-3.1 34,-2.3 -2,-0.4 2,-0.2 -0.989 36.3-106.3-143.3 148.7 18.1 -4.3 38.7 145 145 A P E > - L 0 177C 0 0, 0.0 3,-1.0 0, 0.0 32,-0.2 -0.462 35.8-135.2 -64.3 129.8 16.4 -5.3 41.9 146 146 A S T 3 S+ 0 0 0 30,-1.5 -49,-2.2 1,-0.2 31,-0.1 0.861 95.2 32.0 -51.5 -52.5 12.8 -4.4 41.6 147 147 A R T 3 S+ 0 0 68 29,-0.3 -82,-0.5 -51,-0.2 -1,-0.2 -0.237 95.3 107.1-111.0 44.1 12.3 -2.8 45.0 148 148 A E < - 0 0 9 -3,-1.0 2,-0.3 4,-0.1 3,-0.1 -0.687 42.7-163.8-116.9 168.7 15.7 -1.3 45.9 149 149 A G > + 0 0 2 -2,-0.2 3,-0.8 1,-0.1 -135,-0.1 -0.759 66.2 49.7-138.6 177.7 17.0 2.3 46.0 150 150 A S T 3 S- 0 0 5 -2,-0.3 -1,-0.1 1,-0.2 65,-0.1 0.744 122.6 -73.9 53.8 36.7 20.5 3.8 46.1 151 151 A S T 3 S+ 0 0 19 1,-0.2 61,-0.7 60,-0.1 2,-0.3 0.893 80.5 168.0 48.8 51.4 21.6 1.7 43.1 152 152 A V < + 0 0 23 -3,-0.8 -1,-0.2 1,-0.2 -4,-0.1 -0.719 62.5 2.7 -98.2 143.0 21.8 -1.6 45.0 153 153 A G S S+ 0 0 8 -2,-0.3 17,-0.3 1,-0.2 -1,-0.2 0.330 93.8 140.6 67.7 -7.9 22.1 -5.0 43.2 154 154 A M + 0 0 28 -10,-0.1 2,-0.3 15,-0.1 -1,-0.2 -0.368 24.2 174.3 -64.8 148.0 22.2 -3.1 39.9 155 155 A S E -K 143 0C 33 -12,-1.9 -12,-2.2 -3,-0.1 2,-0.4 -0.900 27.6-133.5-159.5 121.7 24.6 -4.5 37.3 156 156 A K E -K 142 0C 78 -2,-0.3 2,-0.6 -14,-0.2 -14,-0.2 -0.661 21.2-158.8 -80.2 133.9 25.1 -3.4 33.7 157 157 A V E -K 141 0C 4 -16,-3.1 -16,-1.7 -2,-0.4 2,-0.7 -0.951 13.8-179.3-123.5 109.3 25.2 -6.4 31.4 158 158 A V + 0 0 62 -2,-0.6 -19,-0.1 -18,-0.2 -2,-0.0 -0.970 69.0 23.5-108.8 108.7 26.9 -5.8 28.0 159 159 A A S > S- 0 0 29 -2,-0.7 3,-1.8 -21,-0.1 4,-0.1 0.310 84.5-108.8 101.0 136.5 26.6 -9.2 26.3 160 160 A E G >> S+ 0 0 70 1,-0.3 3,-1.4 2,-0.2 4,-0.5 0.814 116.5 65.7 -58.5 -34.3 24.1 -12.0 27.0 161 161 A N G 34 S+ 0 0 138 1,-0.3 -1,-0.3 2,-0.2 4,-0.2 0.532 96.5 55.1 -67.7 -12.8 26.9 -14.0 28.5 162 162 A A G <> S+ 0 0 39 -3,-1.8 4,-0.8 1,-0.1 -1,-0.3 0.375 91.0 79.2-104.1 4.1 27.3 -11.5 31.4 163 163 A L H <> S+ 0 0 4 -3,-1.4 4,-3.0 2,-0.2 5,-0.2 0.873 74.6 64.8 -77.6 -52.0 23.6 -11.7 32.5 164 164 A Q H X S+ 0 0 123 -4,-0.5 4,-1.3 1,-0.3 -1,-0.1 0.884 112.5 40.5 -42.2 -47.1 23.3 -14.9 34.5 165 165 A D H > S+ 0 0 105 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.835 109.1 57.5 -72.4 -40.0 25.6 -13.3 37.1 166 166 A A H X S+ 0 0 2 -4,-0.8 4,-1.8 1,-0.2 -2,-0.2 0.882 112.0 46.4 -58.6 -36.6 24.0 -9.8 36.8 167 167 A L H X S+ 0 0 0 -4,-3.0 4,-2.0 2,-0.2 -2,-0.2 0.766 101.9 60.8 -75.0 -36.0 20.9 -11.7 37.8 168 168 A R H < S+ 0 0 129 -4,-1.3 4,-0.4 -5,-0.2 -2,-0.2 0.947 112.2 42.1 -55.7 -48.0 22.3 -13.7 40.7 169 169 A L H >< S+ 0 0 54 -4,-1.6 3,-2.3 2,-0.3 4,-0.3 0.943 112.4 48.2 -57.2 -66.9 23.2 -10.4 42.4 170 170 A A H >< S+ 0 0 0 -4,-1.8 3,-1.2 1,-0.3 4,-0.4 0.875 111.3 57.8 -47.3 -39.6 20.0 -8.4 41.7 171 171 A F T 3< S+ 0 0 5 -4,-2.0 3,-0.3 1,-0.3 -1,-0.3 0.635 89.4 67.8 -67.7 -23.1 18.3 -11.6 42.9 172 172 A Q T < S+ 0 0 139 -3,-2.3 -1,-0.3 -4,-0.4 -2,-0.2 0.397 108.8 41.8 -77.6 -0.7 20.1 -11.5 46.3 173 173 A H S < S+ 0 0 53 -3,-1.2 2,-0.3 1,-0.4 -2,-0.2 0.449 127.4 3.2-121.2 -12.4 18.0 -8.4 47.0 174 174 A D - 0 0 7 -4,-0.4 -1,-0.4 -3,-0.3 3,-0.0 -0.949 51.6-132.3-171.1 160.3 14.6 -9.4 45.5 175 175 A E S S+ 0 0 105 -2,-0.3 -56,-2.0 -3,-0.1 2,-0.4 0.393 98.3 58.0 -98.7 -7.6 12.6 -12.2 43.9 176 176 A E E S+J 118 0C 32 -58,-0.3 -30,-1.5 -6,-0.1 2,-0.3 -0.999 71.7 179.3-126.2 123.9 11.2 -10.0 41.1 177 177 A V E -JL 117 145C 0 -60,-3.2 -60,-2.2 -2,-0.4 2,-0.5 -0.953 20.2-140.1-130.2 145.4 13.9 -8.3 39.0 178 178 A L E -JL 116 144C 1 -34,-2.3 -34,-3.1 -2,-0.3 2,-0.5 -0.944 8.8-165.1-113.4 129.0 13.7 -6.0 36.0 179 179 A I E +JL 115 143C 0 -64,-1.2 -64,-1.7 -2,-0.5 2,-0.3 -0.987 24.9 175.1-109.4 118.2 16.0 -6.3 33.0 180 180 A E E -JL 114 142C 3 -38,-2.4 -38,-2.7 -2,-0.5 -66,-0.2 -0.919 34.1 -87.0-136.7 162.2 15.9 -3.2 30.8 181 181 A K E - L 0 141C 64 -68,-2.3 2,-0.5 -2,-0.3 -40,-0.2 -0.283 46.3-111.3 -60.5 142.5 17.4 -1.4 27.9 182 182 A W - 0 0 51 -42,-1.4 2,-0.5 -45,-0.1 -1,-0.1 -0.693 27.5-140.3 -81.9 127.6 20.4 0.7 28.4 183 183 A L - 0 0 7 -2,-0.5 2,-1.0 78,-0.1 78,-0.2 -0.806 7.5-156.5 -90.9 119.4 19.5 4.4 27.9 184 184 A S + 0 0 82 -2,-0.5 77,-0.1 75,-0.1 -2,-0.0 -0.667 59.4 79.6-101.6 76.3 22.4 6.2 26.1 185 185 A G S S- 0 0 26 -2,-1.0 -2,-0.1 76,-0.1 77,-0.1 -0.947 88.2 -61.7-169.0 163.3 21.7 9.8 27.2 186 186 A P - 0 0 55 0, 0.0 74,-2.2 0, 0.0 2,-0.4 0.044 53.3-117.4 -50.5 161.7 22.3 12.1 30.2 187 187 A E E -EF 203 259B 29 16,-0.9 16,-2.0 72,-0.2 2,-0.3 -0.921 32.1-172.8-113.4 133.1 20.7 11.3 33.5 188 188 A F E -EF 202 258B 2 70,-3.4 70,-2.9 -2,-0.4 2,-0.3 -0.874 14.6-173.1-128.5 156.3 18.1 13.4 35.2 189 189 A T E -EF 201 257B 2 12,-1.5 12,-1.9 -2,-0.3 2,-0.4 -0.977 7.7-164.0-146.8 136.7 16.2 13.7 38.4 190 190 A V E - F 0 256B 2 66,-2.6 66,-2.6 -2,-0.3 2,-0.4 -0.971 10.8-144.7-126.5 142.4 13.4 16.1 39.3 191 191 A A E - F 0 255B 1 7,-0.4 7,-2.5 -2,-0.4 2,-0.4 -0.927 5.7-152.4-116.3 132.5 12.2 16.9 42.8 192 192 A I E -GF 197 254B 1 62,-2.9 62,-1.8 -2,-0.4 2,-0.4 -0.821 11.1-178.3-103.9 140.3 8.7 17.6 43.9 193 193 A L E > S-GF 196 253B 0 3,-3.3 3,-2.8 -2,-0.4 2,-0.4 -0.928 70.3 -44.0-141.1 108.9 7.7 19.7 46.9 194 194 A G T 3 S- 0 0 12 58,-5.2 58,-0.1 -2,-0.4 107,-0.0 -0.586 122.9 -34.3 65.8-122.3 4.0 20.0 47.5 195 195 A E T 3 S+ 0 0 167 -2,-0.4 -1,-0.3 -3,-0.1 2,-0.2 0.268 123.1 99.3-109.4 7.4 2.8 20.6 44.0 196 196 A E E < -G 193 0B 79 -3,-2.8 -3,-3.3 0, 0.0 2,-0.4 -0.563 62.7-145.1 -93.5 157.9 5.9 22.5 43.0 197 197 A I E -G 192 0B 35 -5,-0.2 -5,-0.2 -2,-0.2 3,-0.1 -0.995 14.7-135.0-128.4 118.1 8.8 21.1 41.1 198 198 A L - 0 0 2 -7,-2.5 -7,-0.4 -2,-0.4 89,-0.1 -0.253 43.2 -70.7 -69.1 156.2 12.4 22.2 41.9 199 199 A P - 0 0 36 0, 0.0 -8,-0.3 0, 0.0 -1,-0.2 -0.111 62.9 -96.3 -48.4 147.0 14.9 23.1 39.2 200 200 A S - 0 0 0 -10,-0.1 2,-0.5 -3,-0.1 -10,-0.2 -0.408 32.6-151.1 -73.5 143.7 16.2 20.1 37.2 201 201 A I E -E 189 0B 3 -12,-1.9 -12,-1.5 24,-0.2 2,-0.6 -0.978 1.9-158.2-120.2 125.8 19.5 18.3 38.1 202 202 A R E -EH 188 224B 67 22,-3.2 22,-2.9 -2,-0.5 2,-0.3 -0.943 13.7-152.5-108.2 120.6 21.6 16.6 35.6 203 203 A I E -EH 187 223B 1 -16,-2.0 -16,-0.9 -2,-0.6 20,-0.2 -0.672 13.3-174.9 -93.2 141.8 23.9 14.0 37.1 204 204 A Q E - H 0 222B 94 18,-1.8 18,-3.0 -2,-0.3 2,-0.1 -0.779 11.4-163.5-143.9 86.4 27.2 13.0 35.5 205 205 A P - 0 0 17 0, 0.0 5,-0.1 0, 0.0 16,-0.1 -0.470 23.4-130.9 -72.4 148.4 28.9 10.2 37.4 206 206 A S S S+ 0 0 62 -2,-0.1 2,-0.1 3,-0.1 4,-0.1 0.009 89.2 51.0 -89.2 26.5 32.6 9.6 36.6 207 207 A G S S- 0 0 52 2,-0.1 3,-0.1 4,-0.0 0, 0.0 -0.214 109.8 -69.0-128.1-141.6 31.9 5.9 36.1 208 208 A T S S- 0 0 86 1,-0.3 2,-0.3 -2,-0.1 -2,-0.0 0.723 107.0 -6.3 -90.1 -39.9 29.5 3.7 34.1 209 209 A F S S- 0 0 36 -5,-0.0 2,-2.8 -58,-0.0 -1,-0.3 -0.923 91.2 -78.5-155.0 163.9 26.2 4.5 35.9 210 210 A Y S S+ 0 0 8 -2,-0.3 2,-0.0 -3,-0.1 -7,-0.0 -0.556 70.0 179.2 -73.4 75.4 25.2 6.4 39.0 211 211 A D > - 0 0 37 -2,-2.8 4,-2.5 1,-0.0 5,-0.2 -0.162 44.3 -91.3 -76.3 171.8 26.3 3.5 41.1 212 212 A Y H > S+ 0 0 84 -61,-0.7 4,-1.2 1,-0.2 5,-0.4 0.812 127.1 47.4 -48.8 -47.6 26.2 3.4 44.9 213 213 A E H > S+ 0 0 123 2,-0.2 4,-1.7 3,-0.2 -1,-0.2 0.857 110.6 52.8 -65.6 -41.8 29.7 4.8 45.3 214 214 A A H 4 S+ 0 0 5 1,-0.2 4,-0.3 -5,-0.2 -2,-0.2 0.903 108.8 50.1 -61.1 -46.7 29.0 7.6 42.8 215 215 A K H < S+ 0 0 23 -4,-2.5 -1,-0.2 2,-0.1 -2,-0.2 0.792 134.6 3.3 -64.4 -33.6 25.8 8.6 44.7 216 216 A Y H < S+ 0 0 38 -4,-1.2 2,-0.3 -5,-0.2 -3,-0.2 0.744 129.3 41.7-126.6 -39.0 27.6 8.8 48.1 217 217 A L S < S+ 0 0 111 -4,-1.7 2,-0.3 -5,-0.4 -2,-0.1 -0.593 94.1 80.5-118.9 68.7 31.3 8.1 48.2 218 218 A S - 0 0 13 -2,-0.3 0, 0.0 -4,-0.3 0, 0.0 -0.901 45.4-168.8-168.2 137.7 32.7 10.0 45.2 219 219 A D S S+ 0 0 154 -2,-0.3 -5,-0.1 1,-0.1 -1,-0.0 0.372 83.5 76.9-110.4 -0.3 33.6 13.6 44.4 220 220 A E + 0 0 131 2,-0.1 -1,-0.1 -14,-0.0 2,-0.1 0.837 68.4 107.2 -75.6 -34.4 34.0 13.0 40.7 221 221 A T - 0 0 5 -7,-0.2 2,-0.4 1,-0.1 -3,-0.1 -0.227 65.0-145.7 -50.5 116.1 30.2 13.0 40.3 222 222 A Q E -H 204 0B 102 -18,-3.0 -18,-1.8 -2,-0.1 2,-0.5 -0.799 9.7-160.3 -97.2 131.7 29.2 16.2 38.6 223 223 A Y E -H 203 0B 55 -2,-0.4 2,-0.5 -20,-0.2 -20,-0.2 -0.960 6.0-172.3-116.5 114.5 25.9 17.9 39.5 224 224 A F E -H 202 0B 67 -22,-2.9 -22,-3.2 -2,-0.5 -2,-0.0 -0.940 12.4-148.1-114.3 121.9 24.3 20.4 37.1 225 225 A C S S+ 0 0 37 -2,-0.5 2,-0.2 -24,-0.2 -24,-0.2 -0.973 83.2 19.0-140.3 119.9 21.3 22.4 38.2 226 226 A P S S- 0 0 67 0, 0.0 -24,-0.2 0, 0.0 -25,-0.2 0.648 99.3-112.4 -67.1-168.7 19.2 23.3 36.3 227 227 A A - 0 0 3 -2,-0.2 3,-0.1 -26,-0.1 -2,-0.1 0.566 35.0-123.8 -66.4 -17.5 20.1 20.8 33.5 228 228 A G + 0 0 79 1,-0.3 2,-0.3 -28,-0.1 -1,-0.1 0.819 63.8 151.6 69.3 32.5 21.3 23.6 31.2 229 229 A L - 0 0 36 1,-0.1 -1,-0.3 -29,-0.1 -2,-0.1 -0.675 53.6 -92.7 -94.3 147.2 18.7 22.1 28.9 230 230 A E > - 0 0 136 -2,-0.3 4,-2.5 1,-0.1 5,-0.3 -0.285 38.9-108.6 -63.4 147.1 16.8 24.1 26.2 231 231 A A T 4 S+ 0 0 93 1,-0.2 -1,-0.1 2,-0.2 -2,-0.0 0.286 116.3 56.7 -61.3 11.4 13.5 25.6 27.3 232 232 A S T > S+ 0 0 73 2,-0.1 4,-2.0 3,-0.1 3,-0.4 0.790 112.1 35.9-101.9 -60.4 11.7 23.0 25.1 233 233 A Q H > S+ 0 0 77 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.786 115.3 59.7 -60.3 -33.0 13.1 19.8 26.5 234 234 A E H X S+ 0 0 33 -4,-2.5 4,-1.5 2,-0.2 -1,-0.2 0.877 105.9 46.7 -66.7 -38.1 13.0 21.5 29.9 235 235 A A H > S+ 0 0 57 -3,-0.4 4,-1.7 -5,-0.3 -2,-0.2 0.893 108.6 55.4 -71.3 -39.4 9.2 22.0 29.6 236 236 A N H X S+ 0 0 92 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.829 105.5 55.8 -62.0 -36.8 8.9 18.4 28.5 237 237 A L H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 3,-0.5 0.991 109.0 40.0 -61.9 -71.0 10.6 17.3 31.7 238 238 A Q H X S+ 0 0 77 -4,-1.5 4,-3.0 1,-0.2 5,-0.2 0.877 115.4 55.6 -41.6 -50.0 8.4 18.9 34.4 239 239 A A H X S+ 0 0 47 -4,-1.7 4,-1.4 1,-0.2 -1,-0.2 0.933 113.7 39.1 -46.2 -55.9 5.4 18.0 32.3 240 240 A L H X S+ 0 0 8 -4,-1.9 4,-2.2 -3,-0.5 -1,-0.2 0.801 113.6 55.0 -69.9 -35.4 6.4 14.3 32.3 241 241 A V H < S+ 0 0 0 -4,-2.5 4,-0.4 1,-0.2 -2,-0.2 0.892 111.0 44.4 -68.5 -43.1 7.6 14.3 35.9 242 242 A L H X S+ 0 0 70 -4,-3.0 4,-1.9 -5,-0.2 -2,-0.2 0.769 114.6 49.9 -73.1 -30.2 4.3 15.6 37.2 243 243 A K H X S+ 0 0 98 -4,-1.4 4,-1.9 -5,-0.2 -2,-0.2 0.931 111.5 46.0 -68.7 -53.9 2.3 13.2 35.0 244 244 A A H < S+ 0 0 0 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.549 115.8 52.0 -63.5 -17.0 4.2 10.2 36.0 245 245 A W H >>S+ 0 0 18 -4,-0.4 4,-1.1 2,-0.2 5,-1.0 0.814 109.1 43.2 -93.5 -40.9 3.8 11.5 39.5 246 246 A T H <5S+ 0 0 90 -4,-1.9 -2,-0.2 1,-0.2 -3,-0.1 0.766 109.7 60.2 -75.0 -26.4 0.1 12.0 39.7 247 247 A T T <5S+ 0 0 44 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.771 106.5 48.4 -67.6 -29.4 -0.3 8.7 37.9 248 248 A L T 45S- 0 0 0 -3,-0.2 -2,-0.2 -5,-0.1 -1,-0.2 0.756 106.4-128.5 -84.9 -31.2 1.5 7.2 40.9 249 249 A G T <5 + 0 0 38 -4,-1.1 -162,-0.5 1,-0.2 -159,-0.3 0.435 53.4 152.6 94.3 4.3 -0.7 9.0 43.6 250 250 A C < - 0 0 10 -5,-1.0 2,-0.3 -160,-0.2 -1,-0.2 -0.129 19.0-177.7 -61.8 156.3 2.3 10.4 45.4 251 251 A K + 0 0 55 2,-0.3 2,-2.2 -164,-0.1 -165,-0.9 -0.967 42.6 20.6-155.0 170.8 2.2 13.5 47.5 252 252 A G S S- 0 0 11 -2,-0.3 -58,-5.2 -167,-0.2 2,-0.3 -0.477 116.2 -2.5 72.7 -74.9 4.0 16.1 49.6 253 253 A W E S+F 193 0B 4 -2,-2.2 -167,-0.6 -60,-0.2 2,-0.3 -0.990 73.0 127.6-150.2 147.9 7.5 15.4 48.5 254 254 A G E -F 192 0B 0 -62,-1.8 -62,-2.9 -2,-0.3 2,-0.3 -0.956 36.1-119.3-178.0-178.7 9.4 13.1 46.2 255 255 A R E -FI 191 272B 22 17,-2.1 17,-2.5 -2,-0.3 2,-0.4 -0.973 11.1-155.7-151.6 132.5 11.9 12.6 43.4 256 256 A I E -FI 190 271B 0 -66,-2.6 -66,-2.6 -2,-0.3 2,-0.5 -0.892 8.0-150.4-112.9 127.8 11.8 11.1 39.9 257 257 A D E +FI 189 270B 9 13,-1.7 12,-3.0 -2,-0.4 13,-1.3 -0.858 24.4 166.4-100.8 130.1 14.8 9.8 37.9 258 258 A V E -FI 188 268B 0 -70,-2.9 -70,-3.4 -2,-0.5 2,-0.3 -0.883 13.0-166.0-138.5 157.0 14.6 10.1 34.1 259 259 A M E -FI 187 267B 28 8,-1.0 8,-3.1 -2,-0.3 -72,-0.2 -0.958 21.6-111.2-147.9 155.8 17.2 9.7 31.4 260 260 A L E - I 0 266B 32 -74,-2.2 2,-0.3 -2,-0.3 6,-0.2 -0.564 26.1-150.9 -89.3 152.2 17.5 10.5 27.8 261 261 A D > - 0 0 15 4,-1.5 3,-2.5 -2,-0.2 -78,-0.1 -0.760 35.0-102.0-121.6 164.7 17.7 8.0 25.0 262 262 A S T 3 S+ 0 0 108 1,-0.3 -77,-0.1 -2,-0.3 -79,-0.0 0.545 119.6 69.5 -59.3 -12.8 19.3 8.0 21.5 263 263 A D T 3 S- 0 0 72 2,-0.2 -1,-0.3 1,-0.0 3,-0.1 0.560 115.9-112.2 -84.3 -10.9 15.7 8.7 20.4 264 264 A G S < S+ 0 0 59 -3,-2.5 2,-0.2 1,-0.3 -2,-0.1 0.282 78.8 121.9 93.8 -1.9 15.7 12.2 21.9 265 265 A Q - 0 0 107 1,-0.0 -4,-1.5 -4,-0.0 2,-0.4 -0.568 63.5-116.0-100.9 156.7 13.1 11.1 24.4 266 266 A F E - I 0 260B 19 -2,-0.2 2,-0.5 -6,-0.2 -6,-0.2 -0.723 23.4-160.1 -88.3 129.5 12.8 11.0 28.2 267 267 A Y E - I 0 259B 26 -8,-3.1 -8,-1.0 -2,-0.4 2,-0.3 -0.949 16.3-134.2-122.2 115.2 12.5 7.7 30.0 268 268 A L E -dI 111 258B 0 -158,-2.2 -156,-0.7 -2,-0.5 -10,-0.3 -0.532 23.7-179.1 -64.2 120.8 11.1 7.5 33.5 269 269 A L E - 0 0 20 -12,-3.0 2,-0.3 1,-0.4 -11,-0.2 0.885 55.4 -52.8 -85.3 -52.8 13.4 5.2 35.4 270 270 A E E - I 0 257B 14 -13,-1.3 -13,-1.7 -170,-0.0 -1,-0.4 -0.939 48.5-112.7-171.1-177.9 11.7 5.2 38.8 271 271 A A E - I 0 256B 4 -177,-0.6 2,-0.4 -2,-0.3 -15,-0.2 -0.974 14.4-148.5-137.6 149.5 10.3 7.3 41.5 272 272 A N E - I 0 255B 14 -17,-2.5 -17,-2.1 -2,-0.3 -181,-0.1 -0.965 12.6-178.4-127.1 120.0 11.2 8.0 45.2 273 273 A T S S+ 0 0 8 -2,-0.4 -187,-0.2 1,-0.2 -20,-0.2 0.379 89.1 34.5 -91.3 -3.2 8.8 8.9 48.0 274 274 A S S S- 0 0 1 -19,-0.1 -1,-0.2 -189,-0.1 -20,-0.1 -0.466 87.3-167.7-153.3 67.8 11.4 9.3 50.8 275 275 A P - 0 0 3 0, 0.0 6,-0.1 0, 0.0 -84,-0.0 -0.123 28.9 -88.6 -62.6 154.8 14.5 10.7 49.0 276 276 A G - 0 0 10 1,-0.1 7,-0.4 4,-0.0 -257,-0.1 -0.211 30.7-171.7 -62.3 157.4 17.9 11.0 50.5 277 277 A M + 0 0 3 -259,-0.3 -252,-0.1 6,-0.1 2,-0.1 -0.181 41.5 124.7-147.2 36.8 18.8 14.1 52.5 278 278 A T S > S- 0 0 17 -253,-0.1 3,-0.7 -254,-0.1 -256,-0.1 -0.301 82.3 -88.9 -89.5 179.2 22.6 13.5 52.9 279 279 A S T 3 S+ 0 0 122 1,-0.3 -1,-0.0 -2,-0.1 -63,-0.0 0.304 131.7 41.8 -74.7 5.4 25.3 16.0 52.0 280 280 A H T 3 S+ 0 0 37 -63,-0.0 -1,-0.3 -65,-0.0 5,-0.1 0.377 90.2 122.0-125.8 -16.4 25.4 14.3 48.5 281 281 A S <> - 0 0 9 -3,-0.7 4,-0.5 1,-0.1 -4,-0.1 -0.126 58.2-137.6 -64.3 150.8 21.6 14.0 48.1 282 282 A L H >> S+ 0 0 8 2,-0.2 4,-2.3 1,-0.1 3,-1.1 0.916 94.1 59.8 -72.4 -54.2 19.7 15.5 45.2 283 283 A V H >> S+ 0 0 1 -7,-0.4 4,-2.2 1,-0.3 3,-0.6 0.936 105.0 52.8 -45.0 -60.0 16.5 16.9 46.7 284 284 A P H 3> S+ 0 0 20 0, 0.0 4,-2.0 0, 0.0 -1,-0.3 0.744 109.7 49.5 -43.1 -36.5 18.7 19.2 49.0 285 285 A M H <>S+ 0 0 1 -4,-2.2 5,-1.8 2,-0.2 3,-0.5 0.934 105.0 55.0 -67.0 -53.5 16.0 23.2 47.0 288 288 A R H ><5S+ 0 0 196 -4,-2.0 3,-1.2 1,-0.3 -1,-0.2 0.853 108.9 52.1 -49.4 -37.3 19.2 25.4 47.6 289 289 A Q H 3<5S+ 0 0 101 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.901 102.7 56.2 -65.5 -41.8 18.8 26.4 43.9 290 290 A A T <<5S- 0 0 41 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.096 128.9-108.0 -76.7 20.6 15.2 27.3 44.6 291 291 A G T < 5S+ 0 0 62 -3,-1.2 2,-0.3 1,-0.2 -3,-0.3 0.695 77.1 130.4 55.4 33.9 16.9 29.5 47.2 292 292 A M < - 0 0 31 -5,-1.8 2,-0.2 -8,-0.1 -1,-0.2 -0.719 50.3-130.8-110.6 161.4 15.9 27.6 50.3 293 293 A S >> - 0 0 56 -2,-0.3 4,-1.6 1,-0.0 3,-0.8 -0.615 34.7 -97.6-101.6 169.8 18.1 26.4 53.1 294 294 A F H 3> S+ 0 0 55 1,-0.2 4,-1.6 -2,-0.2 5,-0.2 0.756 122.6 49.1 -61.3 -28.3 18.0 22.9 54.5 295 295 A S H 3> S+ 0 0 16 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.681 108.4 53.7 -85.1 -17.3 15.7 23.7 57.5 296 296 A Q H <> S+ 0 0 106 -3,-0.8 4,-1.6 3,-0.2 -2,-0.2 0.808 112.3 44.6 -78.2 -37.5 13.2 25.5 55.2 297 297 A L H X S+ 0 0 1 -4,-1.6 4,-2.0 2,-0.2 3,-0.2 0.981 117.5 41.7 -68.8 -63.0 13.0 22.4 53.0 298 298 A V H X S+ 0 0 0 -4,-1.6 4,-0.9 1,-0.3 -2,-0.2 0.845 119.1 48.4 -52.2 -40.6 12.7 19.8 55.8 299 299 A V H X S+ 0 0 28 -4,-1.0 4,-0.9 2,-0.2 -1,-0.3 0.865 110.3 48.9 -73.9 -35.8 10.4 22.2 57.6 300 300 A R H < S+ 0 0 68 -4,-1.6 4,-0.5 -3,-0.2 -2,-0.2 0.743 107.1 58.6 -71.2 -27.3 8.2 22.8 54.5 301 301 A I H < S+ 0 0 0 -4,-2.0 3,-0.3 1,-0.2 -1,-0.2 0.788 105.9 47.8 -70.2 -31.3 8.1 19.1 54.1 302 302 A L H >< S+ 0 0 16 -4,-0.9 3,-0.8 1,-0.2 -2,-0.2 0.680 99.7 66.1 -82.1 -24.6 6.6 18.8 57.6 303 303 A E T 3< S+ 0 0 153 -4,-0.9 -1,-0.2 1,-0.3 -2,-0.2 0.718 102.8 49.8 -68.5 -21.2 4.1 21.5 56.7 304 304 A L T 3 S+ 0 0 45 -4,-0.5 -1,-0.3 -3,-0.3 -2,-0.2 0.430 80.0 131.6 -94.1 -9.8 2.7 19.0 54.3 305 305 A A < 0 0 17 -3,-0.8 -221,-0.3 1,-0.2 -3,-0.1 -0.254 360.0 360.0 -53.7 118.2 2.6 16.2 56.9 306 306 A D 0 0 99 -223,-2.2 -1,-0.2 -221,-0.2 -222,-0.2 0.479 360.0 360.0-144.2 360.0 -0.8 14.5 56.6