==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 18-JAN-12 4DDD . COMPND 2 MOLECULE: IMMUNOGENIC PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: EHRLICHIA CHAFFEENSIS; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 300 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13282.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 202 67.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 6.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 10.7 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 16 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 28.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 1 0 0 0 5 1 0 0 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 1 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 PARALLEL BRIDGES PER LADDER . 0 0 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 26 A S 0 0 149 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-175.1 13.9 25.4 20.8 2 27 A L + 0 0 173 2,-0.0 2,-0.3 0, 0.0 0, 0.0 0.218 360.0 121.7 -88.6 9.8 10.1 25.2 20.8 3 28 A N - 0 0 138 1,-0.1 2,-0.1 35,-0.0 3,-0.0 -0.617 64.8-119.8 -74.4 136.6 9.5 29.0 21.6 4 29 A R - 0 0 132 -2,-0.3 2,-0.5 1,-0.1 35,-0.3 -0.394 31.1-103.0 -67.0 149.8 7.4 30.9 19.0 5 30 A E E -a 39 0A 103 33,-3.3 35,-2.6 -2,-0.1 2,-0.7 -0.690 37.2-141.4 -70.2 121.4 9.1 33.9 17.3 6 31 A Y E -a 40 0A 134 -2,-0.5 2,-0.5 33,-0.2 35,-0.2 -0.836 17.8-167.3 -95.5 115.7 7.6 36.9 19.1 7 32 A I E -a 41 0A 3 33,-3.0 35,-2.5 -2,-0.7 2,-0.5 -0.914 3.2-164.2-106.8 121.5 7.0 39.8 16.7 8 33 A L E -a 42 0A 28 -2,-0.5 55,-1.9 33,-0.2 54,-1.6 -0.947 3.2-163.0-108.4 128.4 6.2 43.3 18.1 9 34 A I E -ab 43 63A 0 33,-2.7 35,-2.4 -2,-0.5 55,-0.3 -0.929 13.2-139.3-113.1 114.4 4.7 45.9 15.7 10 35 A G E +ab 44 64A 0 53,-2.7 55,-2.2 -2,-0.5 35,-0.1 -0.547 39.0 146.9 -68.6 134.5 4.8 49.6 16.6 11 36 A T - 0 0 1 33,-1.5 37,-0.4 35,-0.3 2,-0.3 -0.002 37.8-106.2-132.2-114.2 1.5 51.4 15.8 12 37 A G - 0 0 7 32,-0.2 35,-0.2 35,-0.2 34,-0.1 -0.913 54.3 -21.4-167.5-165.3 -0.1 54.2 17.6 13 38 A S > - 0 0 24 -2,-0.3 3,-2.6 1,-0.1 6,-0.5 -0.098 57.1-118.5 -57.7 146.2 -2.9 55.3 19.9 14 39 A M T 3 S+ 0 0 133 1,-0.3 -1,-0.1 31,-0.1 32,-0.0 0.689 116.0 59.5 -59.6 -15.9 -6.0 53.1 19.9 15 40 A T T 3 S+ 0 0 76 4,-0.0 -1,-0.3 5,-0.0 143,-0.1 0.453 99.3 76.3 -87.8 -1.6 -7.9 56.2 18.6 16 41 A G S < S- 0 0 31 -3,-2.6 -4,-0.1 141,-0.1 140,-0.0 -0.193 87.7-107.3-100.4-166.8 -5.7 56.3 15.5 17 42 A V S > S+ 0 0 32 2,-0.1 4,-1.4 1,-0.1 5,-0.1 0.785 107.0 59.6 -92.5 -36.5 -5.3 54.6 12.2 18 43 A Y H > S+ 0 0 30 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.872 96.6 62.1 -66.4 -36.4 -2.1 52.7 12.7 19 44 A Y H > S+ 0 0 69 -6,-0.5 4,-2.4 1,-0.2 -1,-0.2 0.952 107.4 40.7 -59.3 -53.7 -3.4 50.7 15.7 20 45 A P H > S+ 0 0 47 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.835 113.8 55.1 -66.7 -29.7 -6.2 48.9 13.8 21 46 A I H X S+ 0 0 0 -4,-1.4 4,-2.1 2,-0.2 -2,-0.2 0.968 111.5 43.3 -64.3 -50.0 -3.9 48.3 10.8 22 47 A G H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.884 111.5 54.6 -61.7 -38.7 -1.3 46.6 12.9 23 48 A G H X S+ 0 0 14 -4,-2.4 4,-2.1 -5,-0.3 -1,-0.2 0.893 107.7 51.1 -59.1 -41.0 -3.9 44.7 14.8 24 49 A S H X S+ 0 0 1 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.899 106.3 54.1 -64.6 -39.4 -5.2 43.4 11.5 25 50 A I H X S+ 0 0 1 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.940 107.9 49.7 -62.0 -44.8 -1.7 42.3 10.5 26 51 A a H X S+ 0 0 17 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.906 110.9 50.6 -60.7 -40.7 -1.3 40.3 13.6 27 52 A R H X S+ 0 0 120 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.885 108.6 50.7 -61.2 -43.4 -4.7 38.6 12.9 28 53 A F H X S+ 0 0 2 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.909 111.9 49.2 -59.6 -41.6 -3.7 37.8 9.3 29 54 A I H X>S+ 0 0 3 -4,-2.3 4,-2.8 2,-0.2 5,-0.6 0.934 112.0 47.2 -64.1 -46.1 -0.5 36.2 10.7 30 55 A A H X5S+ 0 0 59 -4,-2.5 4,-1.5 1,-0.2 5,-0.4 0.885 114.4 47.8 -65.0 -42.1 -2.4 34.2 13.3 31 56 A S H <5S+ 0 0 92 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.903 119.1 37.7 -64.1 -44.8 -4.9 33.0 10.7 32 57 A D H <5S+ 0 0 55 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.880 140.0 5.2 -77.2 -35.2 -2.3 32.0 8.2 33 58 A Y H ><>S+ 0 0 34 -4,-2.8 3,-1.7 -5,-0.2 5,-0.5 0.457 94.2 101.6-131.1 -9.4 0.4 30.5 10.5 34 59 A G G >< - 0 0 10 -37,-0.4 4,-2.1 -2,-0.3 81,-0.2 0.340 64.2-118.9 120.0 134.7 4.9 58.4 17.3 49 74 A S H > S+ 0 0 5 79,-0.6 4,-3.2 2,-0.2 5,-0.3 0.816 112.7 59.3 -64.3 -31.1 7.3 57.3 14.6 50 75 A V H > S+ 0 0 42 78,-1.9 4,-2.6 2,-0.2 5,-0.2 0.952 107.8 45.6 -59.8 -49.9 10.3 58.6 16.7 51 76 A Y H > S+ 0 0 98 77,-0.3 4,-2.5 -4,-0.2 -2,-0.2 0.931 116.6 45.6 -54.9 -50.2 9.3 56.3 19.6 52 77 A N H X S+ 0 0 1 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.937 113.5 47.5 -63.6 -44.9 8.8 53.4 17.1 53 78 A L H X S+ 0 0 0 -4,-3.2 4,-2.6 1,-0.2 -1,-0.2 0.882 113.1 49.0 -67.1 -36.9 12.0 54.0 15.2 54 79 A N H X S+ 0 0 55 -4,-2.6 4,-2.5 -5,-0.3 -1,-0.2 0.910 109.3 52.7 -64.2 -43.3 14.0 54.3 18.4 55 80 A S H <>S+ 0 0 5 -4,-2.5 5,-2.6 -5,-0.2 6,-0.8 0.910 112.2 45.6 -59.2 -40.4 12.4 51.1 19.7 56 81 A I H ><5S+ 0 0 7 -4,-2.4 3,-1.9 4,-0.2 -2,-0.2 0.927 109.7 54.9 -66.3 -44.6 13.5 49.3 16.5 57 82 A R H 3<5S+ 0 0 48 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.899 110.0 47.0 -57.2 -40.9 17.0 50.9 16.7 58 83 A Y T 3<5S- 0 0 154 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.2 0.294 114.8-116.4 -88.2 12.5 17.4 49.4 20.3 59 84 A S T < 5S+ 0 0 105 -3,-1.9 -3,-0.2 2,-0.2 -2,-0.1 0.744 86.3 113.2 63.4 26.4 16.1 46.0 19.2 60 85 A N S - C 0 235A 9 168,-0.3 4,-2.0 -2,-0.2 3,-0.3 -0.903 33.7 -97.8-129.0 168.9 5.5 57.5 7.5 68 93 A S H > S+ 0 0 11 166,-1.3 4,-2.9 -2,-0.3 5,-0.2 0.722 110.5 60.7 -58.9 -36.2 8.0 58.8 5.0 69 94 A D H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.977 114.9 31.1 -57.3 -61.2 9.2 61.9 6.8 70 95 A L H > S+ 0 0 2 -3,-0.3 4,-2.7 1,-0.2 5,-0.2 0.833 117.5 58.5 -75.4 -25.1 10.7 60.2 9.9 71 96 A E H X S+ 0 0 3 -4,-2.0 4,-2.8 2,-0.2 5,-0.2 0.947 108.1 47.8 -60.4 -49.2 11.5 57.1 7.9 72 97 A Y H X S+ 0 0 51 -4,-2.9 4,-2.1 1,-0.2 6,-0.2 0.929 113.9 45.1 -57.4 -51.5 13.7 59.3 5.7 73 98 A Y H X>S+ 0 0 14 -4,-2.1 5,-1.9 -5,-0.2 4,-1.2 0.905 115.3 46.8 -63.6 -38.4 15.4 61.0 8.6 74 99 A A H <5S+ 0 0 0 -4,-2.7 13,-2.8 2,-0.2 3,-0.3 0.936 113.2 47.8 -70.4 -46.7 16.0 57.8 10.5 75 100 A Y H <5S+ 0 0 55 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.885 120.6 37.5 -59.5 -41.3 17.3 55.8 7.5 76 101 A N H <5S- 0 0 58 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.540 101.2-124.9 -91.8 -9.9 19.7 58.7 6.5 77 102 A G T <5 + 0 0 11 -4,-1.2 2,-0.2 -3,-0.3 -3,-0.2 0.926 67.8 135.3 64.7 41.2 20.8 59.9 9.9 78 103 A L > < - 0 0 73 -5,-1.9 3,-2.9 -6,-0.2 -1,-0.2 -0.729 51.6 -7.7-120.4 167.1 19.6 63.4 8.9 79 104 A G G > S+ 0 0 21 1,-0.3 3,-2.3 2,-0.3 4,-0.2 -0.236 137.4 13.2 56.0-117.7 17.6 66.3 10.3 80 105 A F G 3 S+ 0 0 96 1,-0.3 -1,-0.3 2,-0.1 3,-0.3 0.740 136.5 48.6 -63.5 -20.8 16.1 65.2 13.6 81 106 A Y G X S+ 0 0 11 -3,-2.9 3,-2.0 1,-0.2 -1,-0.3 0.180 76.1 119.6-103.3 17.4 18.4 62.2 13.5 82 107 A E T < S+ 0 0 154 -3,-2.3 -1,-0.2 1,-0.3 -2,-0.1 0.778 76.0 46.1 -44.1 -40.8 21.5 64.4 12.7 83 108 A K T 3 S+ 0 0 100 -3,-0.3 2,-0.3 -4,-0.2 -1,-0.3 0.393 104.5 75.7 -93.6 2.4 23.3 63.3 15.8 84 109 A M S < S- 0 0 76 -3,-2.0 3,-0.1 1,-0.1 -3,-0.0 -0.758 90.2 -94.6-114.1 158.5 22.6 59.6 15.5 85 110 A L - 0 0 142 -2,-0.3 -8,-0.2 1,-0.1 -2,-0.1 -0.443 52.9 -98.5 -62.3 141.0 24.1 56.9 13.3 86 111 A P - 0 0 56 0, 0.0 2,-1.8 0, 0.0 -11,-0.2 -0.350 28.2-123.8 -55.0 141.5 22.0 56.3 10.2 87 112 A M > + 0 0 4 -13,-2.8 3,-1.9 1,-0.2 -11,-0.1 -0.545 47.2 162.3 -84.0 71.2 19.6 53.4 10.5 88 113 A D T 3 + 0 0 107 -2,-1.8 -1,-0.2 1,-0.3 -13,-0.1 0.653 64.2 65.0 -73.2 -14.1 21.1 51.8 7.5 89 114 A N T 3 S+ 0 0 55 -3,-0.2 152,-1.8 2,-0.1 -1,-0.3 0.356 74.5 120.3 -83.8 -1.8 19.7 48.4 8.4 90 115 A L E < -D 240 0A 0 -3,-1.9 2,-0.3 150,-0.2 150,-0.3 -0.432 41.8-175.4 -61.8 139.3 16.1 49.6 8.0 91 116 A R E -D 239 0A 56 148,-2.7 148,-3.1 -2,-0.1 2,-0.3 -0.989 22.0-121.7-138.7 146.3 14.1 47.7 5.4 92 117 A M E +De 238 285A 4 192,-2.6 194,-2.9 -2,-0.3 146,-0.2 -0.638 21.5 177.0 -86.7 144.9 10.6 48.1 4.0 93 118 A L E S- 0 0 0 144,-2.9 2,-0.3 -2,-0.3 145,-0.2 0.713 71.7 -14.9-102.4 -51.4 8.0 45.4 4.2 94 119 A A E -D 237 0A 0 143,-1.7 143,-3.0 184,-0.0 -1,-0.3 -0.944 55.5-129.3-156.1 134.6 5.0 47.2 2.5 95 120 A S E -D 236 0A 5 182,-2.3 141,-0.2 -2,-0.3 2,-0.1 -0.588 33.1-171.6 -75.2 144.1 4.0 50.7 1.5 96 121 A L E - 0 0 5 139,-3.0 177,-0.1 1,-0.3 -1,-0.1 -0.088 36.8 -27.4-114.4-144.6 0.5 51.5 2.8 97 122 A H E - 0 0 8 1,-0.1 138,-2.9 137,-0.1 -1,-0.3 -0.327 61.0-106.4 -78.3 153.5 -1.8 54.5 2.2 98 123 A K E -D 234 0A 79 170,-0.3 2,-0.4 136,-0.2 80,-0.3 -0.510 27.9-154.2 -69.2 146.7 -0.9 58.0 1.3 99 124 A E E -D 233 0A 7 134,-2.7 134,-2.6 -2,-0.2 2,-0.4 -0.990 10.0-152.6-125.8 135.5 -1.3 60.7 4.0 100 125 A Y E -DF 232 176A 39 76,-2.8 76,-2.0 -2,-0.4 2,-0.6 -0.850 25.8-109.8-115.4 142.2 -1.9 64.3 3.0 101 126 A L E - F 0 175A 6 130,-2.7 2,-0.5 -2,-0.4 74,-0.2 -0.607 46.8-168.4 -70.9 113.7 -1.0 67.5 4.8 102 127 A T E - F 0 174A 0 72,-3.4 72,-2.5 -2,-0.6 2,-0.5 -0.951 14.5-172.8-122.0 114.5 -4.6 68.5 5.7 103 128 A I E - F 0 173A 1 -2,-0.5 92,-2.6 92,-0.5 2,-0.4 -0.953 11.9-175.9-115.0 122.9 -5.4 72.0 7.0 104 129 A V E +GF 194 172A 0 68,-2.6 68,-2.8 -2,-0.5 2,-0.3 -0.978 8.4 168.1-129.8 134.1 -8.9 72.4 8.2 105 130 A V E -G 193 0A 0 88,-2.6 88,-2.8 -2,-0.4 2,-0.3 -0.856 42.0 -93.4-133.7 166.3 -10.8 75.5 9.5 106 131 A K E > -G 192 0A 38 64,-0.5 3,-1.6 -2,-0.3 86,-0.3 -0.610 32.3-127.9 -72.0 144.0 -14.4 76.5 10.2 107 132 A K T 3 S+ 0 0 84 84,-2.8 -1,-0.1 -2,-0.3 85,-0.1 0.898 109.4 63.9 -58.8 -36.0 -16.1 78.2 7.3 108 133 A S T 3 S+ 0 0 103 83,-0.5 -1,-0.3 2,-0.1 2,-0.1 0.583 85.7 94.4 -64.6 -8.4 -17.0 81.0 9.7 109 134 A S S < S- 0 0 30 -3,-1.6 -4,-0.1 2,-0.1 61,-0.0 -0.397 86.2-122.1 -81.6 164.4 -13.3 81.8 10.3 110 135 A N S S+ 0 0 112 -2,-0.1 2,-0.3 6,-0.1 -1,-0.1 0.637 75.5 119.9 -74.6 -2.8 -11.7 84.5 8.2 111 136 A I + 0 0 1 -5,-0.2 -2,-0.1 1,-0.2 -6,-0.1 -0.404 15.5 137.1 -87.7 122.9 -9.1 81.9 7.0 112 137 A S + 0 0 61 1,-0.3 2,-0.3 -2,-0.3 -1,-0.2 0.626 64.4 36.0-128.2 -31.5 -8.8 81.1 3.2 113 138 A V S > S- 0 0 77 82,-0.1 3,-1.7 1,-0.1 4,-0.3 -0.829 87.0-101.5-127.0 169.2 -5.1 80.9 2.4 114 139 A I G > S+ 0 0 3 82,-0.4 3,-2.1 -2,-0.3 4,-0.3 0.876 117.2 61.1 -61.2 -39.2 -2.1 79.5 4.2 115 140 A D G > S+ 0 0 90 1,-0.3 3,-1.1 2,-0.2 -1,-0.3 0.754 91.7 69.7 -61.2 -21.0 -0.9 83.0 5.2 116 141 A D G < S+ 0 0 50 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.622 83.4 71.0 -70.6 -15.3 -4.1 83.5 7.1 117 142 A I G X S+ 0 0 0 -3,-2.1 3,-1.9 -4,-0.3 -1,-0.2 0.707 72.9 107.4 -75.0 -18.1 -3.1 80.9 9.8 118 143 A K T < S+ 0 0 101 -3,-1.1 31,-0.2 -4,-0.3 3,-0.1 -0.343 85.7 16.6 -57.2 136.2 -0.4 83.2 11.1 119 144 A G T 3 S+ 0 0 44 29,-2.9 -1,-0.3 1,-0.3 30,-0.2 0.420 105.9 112.0 81.9 -2.1 -1.4 84.6 14.5 120 145 A K S < S- 0 0 41 -3,-1.9 30,-1.2 28,-0.2 31,-1.0 -0.314 81.6 -92.6 -96.1 177.5 -4.1 81.9 15.1 121 146 A R E +i 151 0B 105 29,-0.2 49,-2.5 28,-0.2 50,-1.7 -0.875 59.5 176.3 -87.6 114.7 -4.5 79.0 17.5 122 147 A V E -ij 152 171B 0 29,-2.8 31,-2.6 -2,-0.7 2,-0.4 -0.896 31.9-119.0-129.1 151.2 -3.0 76.2 15.4 123 148 A N E +i 153 0B 0 48,-1.7 31,-0.2 -2,-0.3 3,-0.1 -0.789 24.0 175.3 -87.8 134.9 -2.2 72.5 16.0 124 149 A I - 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0 0 76 -2,-0.3 3,-2.3 -5,-0.0 4,-0.2 -0.783 52.2 -73.1-135.0-175.2 8.1 80.7 14.8 146 171 A K G > S+ 0 0 70 1,-0.3 3,-1.8 -2,-0.2 -2,-0.0 0.806 124.2 63.7 -52.8 -35.5 6.2 80.3 18.1 147 172 A K G 3 S+ 0 0 172 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.697 93.2 65.1 -64.1 -19.7 5.8 84.1 18.5 148 173 A D G < S+ 0 0 18 -3,-2.3 -29,-2.9 -30,-0.0 2,-0.3 0.462 99.8 56.8 -83.6 -2.6 3.8 84.2 15.3 149 174 A F < - 0 0 17 -3,-1.8 -28,-0.2 -4,-0.2 3,-0.1 -0.953 66.9-146.2-126.9 149.2 0.9 82.1 16.8 150 175 A S S S+ 0 0 78 -30,-1.2 2,-0.3 -2,-0.3 -29,-0.2 0.789 90.7 14.5 -77.0 -32.4 -1.3 82.6 19.9 151 176 A V E -i 121 0B 55 -31,-1.0 -29,-2.8 2,-0.0 2,-0.5 -0.984 54.9-166.0-146.0 133.9 -1.5 78.9 20.6 152 177 A M E -i 122 0B 46 -2,-0.3 -29,-0.2 -31,-0.2 2,-0.1 -0.901 25.6-163.9-119.6 93.0 0.4 75.9 19.4 153 178 A A E -i 123 0B 15 -31,-2.6 -29,-3.0 -2,-0.5 -28,-0.5 -0.376 16.2-148.7 -77.3 160.4 -1.7 73.0 20.5 154 179 A E + 0 0 104 -31,-0.2 2,-0.2 -30,-0.2 -31,-0.1 -0.483 41.3 150.4-129.3 59.7 -0.4 69.4 20.6 155 180 A L - 0 0 44 -2,-0.1 -29,-0.2 -29,-0.1 2,-0.1 -0.634 41.6-127.1-104.1 151.5 -3.5 67.4 19.8 156 181 A K > - 0 0 58 -2,-0.2 4,-1.8 -31,-0.1 3,-0.1 -0.406 44.8 -88.3 -86.3 170.2 -4.1 64.0 18.1 157 182 A S H > S+ 0 0 28 1,-0.2 4,-1.0 2,-0.2 3,-0.3 0.854 124.8 43.5 -50.9 -52.6 -6.6 63.7 15.2 158 183 A S H > S+ 0 0 30 1,-0.2 4,-1.3 2,-0.2 3,-0.5 0.902 111.5 54.4 -61.2 -41.9 -9.7 63.0 17.2 159 184 A E H > S+ 0 0 85 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.866 103.3 58.0 -64.0 -31.2 -9.0 65.7 19.8 160 185 A Q H X S+ 0 0 1 -4,-1.8 4,-3.2 -3,-0.3 -1,-0.2 0.852 97.8 58.2 -69.9 -36.9 -8.6 68.3 17.0 161 186 A A H X S+ 0 0 1 -4,-1.0 4,-2.1 -3,-0.5 -1,-0.2 0.924 112.4 39.9 -58.4 -49.2 -12.1 67.8 15.6 162 187 A Q H X S+ 0 0 123 -4,-1.3 4,-2.5 2,-0.2 6,-0.2 0.909 115.8 51.6 -67.9 -42.0 -13.7 68.7 18.8 163 188 A A H <>S+ 0 0 11 -4,-2.1 5,-2.1 -5,-0.2 6,-1.3 0.913 111.4 48.4 -61.0 -43.3 -11.2 71.5 19.6 164 189 A L H ><5S+ 0 0 1 -4,-3.2 3,-1.6 4,-0.2 -2,-0.2 0.967 113.0 45.2 -61.5 -52.5 -11.9 73.0 16.1 165 190 A b H 3<5S+ 0 0 12 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.846 114.0 50.5 -66.3 -31.2 -15.7 73.0 16.4 166 191 A D T 3<5S- 0 0 86 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.408 113.1-120.1 -77.8 -1.6 -15.5 74.3 20.1 167 192 A N T < 5S+ 0 0 85 -3,-1.6 -3,-0.2 -4,-0.3 -2,-0.1 0.662 79.4 125.9 65.7 19.4 -13.2 77.2 18.9 168 193 A K S - 0 0 7 87,-0.1 4,-2.1 -2,-0.1 5,-0.1 -0.954 33.5-136.2-130.6 139.2 -10.7 59.9 7.6 181 206 A A H > S+ 0 0 68 -2,-0.4 4,-3.0 1,-0.2 5,-0.1 0.848 103.4 55.3 -68.7 -33.7 -13.1 59.4 10.6 182 207 A S H > S+ 0 0 12 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.908 110.4 44.5 -66.9 -41.5 -11.8 62.4 12.5 183 208 A I H > S+ 0 0 0 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.890 112.4 53.0 -64.7 -42.4 -12.5 64.8 9.6 184 209 A Q H X S+ 0 0 96 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.944 109.5 49.6 -57.7 -47.6 -15.9 63.1 9.1 185 210 A E H X S+ 0 0 78 -4,-3.0 4,-1.1 1,-0.2 3,-0.2 0.940 111.3 49.3 -56.3 -48.9 -16.6 63.8 12.8 186 211 A A H >X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 3,-1.0 0.941 111.2 48.3 -55.9 -48.7 -15.5 67.5 12.4 187 212 A S H 3< S+ 0 0 32 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.769 110.5 51.7 -70.7 -23.7 -17.7 68.0 9.4 188 213 A A H 3< S+ 0 0 89 -4,-1.7 -1,-0.3 -3,-0.2 -2,-0.2 0.673 115.2 43.4 -78.5 -21.2 -20.7 66.4 11.1 189 214 A T H << S- 0 0 90 -4,-1.1 2,-0.3 -3,-1.0 -2,-0.2 0.811 127.4 -1.7 -99.0 -38.6 -20.2 68.7 14.1 190 215 A b S < S- 0 0 23 -4,-2.8 2,-0.7 -5,-0.2 -1,-0.3 -0.948 83.9 -85.3-145.3 172.3 -19.5 72.1 12.5 191 216 A D - 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