==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 30-JUN-11 3SP1 . COMPND 2 MOLECULE: CYSTEINYL-TRNA SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BORRELIA BURGDORFERI; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 857 10 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39297.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 634 74.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 56 6.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 52 6.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.4 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 . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 61 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 83 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 346 40.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 2.5 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 1 2 0 1 3 1 0 1 9 0 6 0 0 2 1 1 0 0 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 2 2 2 4 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 . 3 0 2 6 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 ANTIPARALLEL BRIDGES PER LADDER . 2 3 0 4 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 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 0 139 0, 0.0 2,-0.4 0, 0.0 324,-0.0 0.000 360.0 360.0 360.0 131.4 -25.9 -11.2 -87.0 2 2 A I - 0 0 62 1,-0.0 2,-0.4 15,-0.0 15,-0.1 -0.680 360.0-126.8 -86.5 128.2 -24.9 -11.0 -83.3 3 3 A L E -A 16 0A 0 13,-0.5 13,-1.4 -2,-0.4 2,-0.5 -0.629 21.9-163.7 -73.0 130.3 -21.5 -9.6 -82.4 4 4 A K E +Ab 15 329A 84 324,-2.5 326,-2.3 -2,-0.4 2,-0.3 -0.962 15.1 178.8-113.3 126.4 -19.5 -11.9 -80.1 5 5 A L E -A 14 0A 0 9,-2.0 9,-3.1 -2,-0.5 2,-0.8 -0.978 36.8-103.7-132.8 154.8 -16.6 -10.3 -78.2 6 6 A Y E -A 13 0A 65 -2,-0.3 2,-0.6 7,-0.3 224,-0.3 -0.629 38.0-157.0 -79.1 111.2 -14.0 -11.3 -75.8 7 7 A N E >>> -A 12 0A 2 5,-2.2 4,-1.5 -2,-0.8 3,-1.1 -0.787 12.7-160.3 -94.0 115.8 -15.1 -9.9 -72.4 8 8 A T T 345S+ 0 0 26 220,-2.4 -1,-0.1 -2,-0.6 221,-0.1 0.823 89.6 66.0 -65.3 -29.7 -12.4 -9.4 -69.7 9 9 A R T 345S+ 0 0 48 219,-0.4 -1,-0.2 1,-0.2 218,-0.1 0.769 120.3 17.5 -60.2 -28.2 -15.0 -9.4 -67.0 10 10 A T T <45S- 0 0 81 -3,-1.1 -1,-0.2 2,-0.3 -2,-0.2 0.350 94.3-126.2-129.6 -4.0 -15.9 -13.1 -67.6 11 11 A K T <5S+ 0 0 65 -4,-1.5 2,-0.3 1,-0.2 -3,-0.2 0.781 83.2 81.0 54.8 30.9 -12.9 -14.5 -69.7 12 12 A D E > - 0 0 55 205,-0.2 4,-1.3 -2,-0.1 3,-1.1 -0.733 28.5 -95.2-110.5 165.2 1.7 8.5 -79.9 37 37 A I H 3> S+ 0 0 4 203,-2.9 4,-1.7 1,-0.3 204,-0.1 0.678 120.6 65.1 -58.3 -25.5 0.9 5.7 -82.2 38 38 A G H 3> S+ 0 0 14 202,-0.3 4,-1.4 2,-0.2 3,-0.4 0.949 102.4 48.7 -55.9 -53.2 0.5 3.3 -79.3 39 39 A N H <> S+ 0 0 54 -3,-1.1 4,-2.0 1,-0.2 -2,-0.2 0.891 110.0 53.3 -50.6 -41.8 -2.5 5.3 -78.2 40 40 A F H X S+ 0 0 0 -4,-1.3 4,-2.7 2,-0.2 -1,-0.2 0.783 96.9 62.5 -75.4 -26.1 -3.9 5.2 -81.7 41 41 A R H X S+ 0 0 10 -4,-1.7 4,-2.5 -3,-0.4 -1,-0.2 0.982 109.3 44.5 -52.5 -54.0 -3.7 1.4 -82.0 42 42 A T H X S+ 0 0 31 -4,-1.4 4,-2.0 1,-0.2 -2,-0.2 0.881 113.5 48.9 -59.1 -42.0 -6.2 1.4 -79.1 43 43 A Y H X S+ 0 0 20 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.870 108.8 52.7 -70.2 -27.2 -8.3 4.1 -80.7 44 44 A I H X S+ 0 0 2 -4,-2.7 4,-3.3 1,-0.2 -2,-0.2 0.925 106.9 55.0 -70.2 -40.5 -8.3 2.2 -84.0 45 45 A F H X S+ 0 0 7 -4,-2.5 4,-1.5 2,-0.2 -2,-0.2 0.913 108.0 47.0 -47.3 -49.3 -9.5 -0.7 -82.0 46 46 A G H X S+ 0 0 2 -4,-2.0 4,-3.0 2,-0.2 5,-0.2 0.950 113.5 50.4 -63.0 -46.2 -12.5 1.3 -80.6 47 47 A D H X S+ 0 0 0 -4,-2.1 4,-3.0 1,-0.2 5,-0.3 0.937 107.4 50.8 -49.5 -60.9 -13.2 2.5 -84.2 48 48 A L H X S+ 0 0 17 -4,-3.3 4,-1.3 1,-0.2 -1,-0.2 0.809 114.2 48.6 -48.7 -33.0 -13.1 -1.0 -85.7 49 49 A L H X S+ 0 0 0 -4,-1.5 4,-3.0 2,-0.2 -2,-0.2 0.963 112.7 41.6 -80.7 -56.0 -15.6 -2.0 -82.9 50 50 A I H X S+ 0 0 0 -4,-3.0 4,-2.6 1,-0.2 5,-0.3 0.964 116.4 52.6 -56.6 -47.7 -18.2 0.8 -83.2 51 51 A K H X S+ 0 0 34 -4,-3.0 4,-2.5 -5,-0.2 -1,-0.2 0.861 110.2 48.6 -56.8 -33.8 -17.9 0.5 -87.0 52 52 A T H X S+ 0 0 0 -4,-1.3 4,-2.7 -5,-0.3 -2,-0.2 0.952 110.3 48.6 -73.4 -47.8 -18.6 -3.3 -86.7 53 53 A L H X>S+ 0 0 0 -4,-3.0 5,-2.1 2,-0.2 4,-0.8 0.974 115.1 45.9 -51.6 -57.0 -21.6 -2.9 -84.5 54 54 A R H ><5S+ 0 0 89 -4,-2.6 3,-1.5 1,-0.2 -2,-0.2 0.924 111.8 51.4 -50.1 -49.4 -23.0 -0.3 -86.9 55 55 A F H 3<5S+ 0 0 19 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.872 109.0 52.3 -57.1 -38.7 -22.2 -2.5 -90.0 56 56 A L H 3<5S- 0 0 21 -4,-2.7 -1,-0.3 -3,-0.2 -2,-0.2 0.544 128.1 -99.1 -79.7 -8.8 -24.0 -5.4 -88.3 57 57 A G T <<5S+ 0 0 55 -3,-1.5 -3,-0.2 -4,-0.8 2,-0.2 0.552 75.1 137.9 109.0 10.9 -27.1 -3.2 -87.7 58 58 A Y < - 0 0 9 -5,-2.1 2,-0.7 -6,-0.2 -1,-0.3 -0.558 52.3-128.6 -80.6 149.1 -26.8 -2.1 -84.1 59 59 A K - 0 0 48 -40,-2.0 -37,-2.2 -2,-0.2 2,-0.4 -0.908 34.9-165.4-100.0 117.9 -27.6 1.5 -83.1 60 60 A V E -c 22 0B 12 -2,-0.7 2,-0.6 -39,-0.2 -37,-0.2 -0.858 23.9-166.1-115.8 133.5 -24.7 2.7 -81.2 61 61 A N E -c 23 0B 51 -39,-2.8 -37,-2.1 -2,-0.4 2,-0.5 -0.957 22.2-169.3-114.7 114.9 -24.1 5.7 -78.9 62 62 A Y E -c 24 0B 5 -2,-0.6 38,-2.9 -39,-0.2 39,-1.6 -0.884 6.9-174.8-117.1 130.0 -20.5 6.0 -78.3 63 63 A A E -ce 25 101B 0 -39,-2.9 -37,-2.0 -2,-0.5 2,-0.4 -0.939 4.5-172.0-124.7 144.7 -18.8 8.3 -75.7 64 64 A M E -ce 26 102B 5 37,-2.6 39,-2.6 -2,-0.4 -37,-0.2 -0.998 15.4-138.3-134.0 137.0 -15.2 9.2 -75.0 65 65 A N E - e 0 103B 0 -39,-1.3 2,-0.4 -2,-0.4 39,-0.2 -0.521 5.3-151.1 -85.0 161.0 -13.7 11.2 -72.1 66 66 A I E - e 0 104B 1 37,-2.2 39,-2.4 -38,-0.2 2,-0.9 -0.999 11.9-145.6-125.3 121.9 -10.9 13.7 -72.4 67 67 A T B +g 30 0C 22 -38,-2.1 -36,-1.0 -2,-0.4 4,-0.1 -0.798 31.4 160.2 -91.5 106.0 -8.8 14.1 -69.3 68 68 A D + 0 0 18 -2,-0.9 12,-0.1 -38,-0.1 -1,-0.1 -0.122 41.2 99.0-116.7 39.6 -7.8 17.7 -69.1 69 69 A I S S- 0 0 28 11,-0.1 2,-0.1 1,-0.0 11,-0.1 0.938 88.6 -62.9 -90.9 -85.8 -6.9 17.9 -65.4 70 70 A G - 0 0 45 106,-0.0 -2,-0.1 0, 0.0 106,-0.0 -0.434 53.6-117.8 178.2 92.7 -3.3 17.7 -64.2 71 71 A H 0 0 74 1,-0.1 -3,-0.0 -4,-0.1 -41,-0.0 0.318 360.0 360.0 -47.8 158.9 -1.1 14.6 -64.7 72 72 A L 0 0 174 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.445 360.0 360.0-147.1 360.0 0.4 12.3 -62.0 73 ! 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 74 92 A L 0 0 122 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 158.1 0.0 29.7 -70.2 75 93 A T >> - 0 0 67 1,-0.1 4,-1.9 4,-0.0 3,-1.0 -0.467 360.0-131.0 -61.8 128.4 -3.4 28.4 -69.0 76 94 A V H 3> S+ 0 0 71 1,-0.3 4,-1.9 -2,-0.2 5,-0.1 0.780 112.0 54.9 -48.0 -30.4 -3.7 24.6 -68.3 77 95 A Y H 3> S+ 0 0 88 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.822 102.5 52.7 -75.8 -33.1 -6.9 24.9 -70.4 78 96 A E H <> S+ 0 0 114 -3,-1.0 4,-2.0 2,-0.2 -2,-0.2 0.909 112.3 47.8 -65.0 -44.2 -5.1 26.4 -73.4 79 97 A I H X S+ 0 0 75 -4,-1.9 4,-2.4 2,-0.2 5,-0.2 0.953 115.1 41.8 -61.0 -57.0 -2.7 23.5 -73.3 80 98 A S H X S+ 0 0 6 -4,-1.9 4,-1.0 1,-0.2 -1,-0.2 0.796 114.0 54.4 -67.1 -26.6 -5.2 20.8 -73.0 81 99 A E H X S+ 0 0 140 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.870 108.9 49.1 -67.2 -40.0 -7.4 22.6 -75.6 82 100 A F H X S+ 0 0 110 -4,-2.0 4,-1.4 1,-0.2 -2,-0.2 0.914 115.0 41.9 -67.5 -44.2 -4.5 22.6 -78.0 83 101 A F H X S+ 0 0 34 -4,-2.4 4,-1.5 -52,-0.4 -1,-0.2 0.630 109.5 60.9 -82.7 -11.5 -3.7 18.9 -77.6 84 102 A T H X S+ 0 0 30 -4,-1.0 4,-2.1 -5,-0.2 5,-0.2 0.958 106.8 44.2 -70.1 -51.5 -7.4 18.1 -77.6 85 103 A E H X S+ 0 0 60 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.870 114.2 51.0 -60.2 -36.7 -7.8 19.5 -81.2 86 104 A A H X S+ 0 0 18 -4,-1.4 4,-2.7 2,-0.2 -1,-0.2 0.901 106.7 53.1 -71.9 -39.1 -4.6 17.8 -82.3 87 105 A F H X S+ 0 0 6 -4,-1.5 4,-2.8 1,-0.2 -2,-0.2 0.966 113.2 43.1 -56.3 -52.4 -5.7 14.4 -81.0 88 106 A F H X S+ 0 0 20 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.770 111.6 56.1 -69.5 -24.4 -9.0 14.6 -82.9 89 107 A N H X S+ 0 0 63 -4,-1.6 4,-1.5 -5,-0.2 -1,-0.2 0.897 108.5 46.3 -67.8 -43.4 -7.0 16.0 -85.9 90 108 A D H X S+ 0 0 16 -4,-2.7 4,-1.7 2,-0.2 -2,-0.2 0.912 109.3 57.0 -63.5 -42.7 -4.8 12.8 -85.8 91 109 A C H <>S+ 0 0 9 -4,-2.8 5,-2.6 1,-0.2 3,-0.5 0.926 105.7 48.5 -50.1 -51.7 -8.0 10.8 -85.4 92 110 A R H ><5S+ 0 0 162 -4,-2.0 3,-0.9 1,-0.3 -1,-0.2 0.831 108.7 54.7 -59.8 -35.0 -9.4 12.3 -88.7 93 111 A K H 3<5S+ 0 0 76 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.841 112.9 42.3 -68.1 -31.1 -6.1 11.5 -90.4 94 112 A L T 3<5S- 0 0 1 -4,-1.7 -1,-0.2 -3,-0.5 -2,-0.2 0.243 115.4-115.8 -97.4 11.9 -6.5 7.8 -89.2 95 113 A N T < 5 + 0 0 41 -3,-0.9 2,-0.7 1,-0.2 -3,-0.2 0.893 54.8 164.5 51.0 48.6 -10.2 7.7 -90.1 96 114 A I < - 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0 0 145 -5,-1.0 3,-0.3 -6,-0.3 -1,-0.3 -0.462 64.7 -18.4 72.2-135.7 -27.0 6.8 -66.3 193 231 A D T 3 S+ 0 0 72 1,-0.2 -1,-0.2 -2,-0.2 32,-0.2 0.169 125.6 78.3 -84.2 21.1 -27.2 3.4 -64.7 194 232 A A < + 0 0 33 -3,-0.8 -171,-0.2 -7,-0.2 -1,-0.2 -0.032 42.8 154.0-139.7 41.3 -26.7 1.7 -68.1 195 233 A L - 0 0 5 -3,-0.3 30,-0.6 1,-0.1 31,-0.5 -0.398 15.9-173.6 -63.1 143.6 -23.3 1.3 -69.8 196 234 A D + 0 0 40 -173,-1.4 31,-1.3 1,-0.3 2,-0.4 0.770 67.9 16.1-102.6 -46.8 -23.1 -1.7 -72.2 197 235 A I E -df 24 227B 0 -174,-2.5 -172,-2.6 29,-0.1 2,-0.5 -0.997 60.4-168.5-134.8 136.2 -19.5 -1.9 -73.4 198 236 A H E -df 25 228B 0 29,-1.9 31,-2.1 -2,-0.4 -172,-0.2 -0.987 13.9-164.3-127.1 126.9 -16.4 -0.1 -71.8 199 237 A L E +df 26 229B 4 -174,-3.5 -172,-1.2 -2,-0.5 2,-0.3 -0.610 23.9 122.0-112.3 164.8 -13.1 -0.0 -73.7 200 238 A G E - f 0 230B 3 29,-0.9 31,-2.0 -2,-0.2 2,-0.2 -0.961 56.9 -62.8 172.3-164.9 -9.5 0.7 -72.9 201 239 A G E > - f 0 231B 5 -2,-0.3 3,-2.1 29,-0.2 4,-0.3 -0.649 50.2-103.6-102.8 162.4 -6.1 -0.9 -73.1 202 240 A V G > S+ 0 0 26 29,-2.0 3,-2.4 1,-0.3 4,-0.5 0.822 116.2 69.9 -58.0 -29.8 -5.0 -3.9 -71.2 203 241 A D G 3 S+ 0 0 93 1,-0.3 5,-0.3 2,-0.2 4,-0.3 0.694 91.0 62.5 -63.8 -17.6 -3.0 -1.8 -68.7 204 242 A H G < >S+ 0 0 27 -3,-2.1 5,-2.6 1,-0.1 6,-0.6 0.528 84.4 80.9 -77.8 -10.9 -6.5 -0.5 -67.4 205 243 A I T < >S+ 0 0 40 -3,-2.4 5,-0.8 -4,-0.3 -2,-0.2 0.988 94.7 38.7 -58.9 -56.4 -7.4 -4.1 -66.3 206 244 A G T 5S+ 0 0 44 -4,-0.5 -1,-0.2 3,-0.1 -2,-0.1 0.491 134.0 2.7 -81.9 -9.1 -5.5 -4.2 -63.0 207 245 A V T >5S+ 0 0 82 -4,-0.3 4,-1.8 -3,-0.2 -3,-0.1 0.464 124.7 39.5-131.6 -70.2 -6.0 -0.6 -61.6 208 246 A H H >5S+ 0 0 1 -5,-0.3 4,-1.9 2,-0.2 -3,-0.1 0.853 115.9 42.5 -62.1 -48.4 -8.2 1.9 -63.5 209 247 A H H >S+ 0 0 27 -4,-3.1 4,-1.3 -5,-0.3 5,-0.9 0.850 113.7 48.3 -77.6 -28.7 -21.5 -0.5 -58.6 218 256 A C H <5S+ 0 0 13 -4,-1.7 -1,-0.2 -5,-0.4 -2,-0.2 0.831 115.1 46.9 -72.3 -29.7 -21.3 0.9 -55.1 219 257 A F H <5S+ 0 0 44 -4,-1.8 -2,-0.2 -5,-0.2 -3,-0.2 0.962 119.8 37.3 -72.8 -56.0 -23.1 4.0 -56.2 220 258 A L H <5S- 0 0 37 -4,-2.8 -2,-0.2 2,-0.2 -1,-0.2 0.730 98.5-136.4 -64.4 -27.8 -25.8 2.3 -58.2 221 259 A N T <5S+ 0 0 130 -4,-1.3 2,-0.3 1,-0.3 -3,-0.2 0.848 76.1 60.1 61.6 37.6 -26.0 -0.5 -55.6 222 260 A K S - 0 0 18 -2,-0.3 4,-1.8 -205,-0.3 -205,-0.2 -0.641 34.1-106.5-100.5 172.0 3.7 10.4 -83.3 242 289 A V H > S+ 0 0 1 -207,-0.4 4,-2.1 2,-0.2 5,-0.2 0.855 121.5 56.0 -63.9 -39.7 1.8 10.7 -86.6 243 290 A K H >> S+ 0 0 46 2,-0.2 4,-3.7 1,-0.2 3,-0.7 0.975 104.5 52.8 -56.1 -54.8 3.8 13.7 -87.6 244 291 A D H 3> S+ 0 0 68 1,-0.3 4,-1.5 2,-0.2 -2,-0.2 0.910 111.4 47.8 -44.5 -49.5 7.0 11.5 -87.1 245 292 A L H 3<>S+ 0 0 10 -4,-1.8 5,-2.0 1,-0.2 -1,-0.3 0.771 113.3 45.6 -65.1 -32.5 5.3 9.0 -89.4 246 293 A E H X<5S+ 0 0 77 -4,-2.1 3,-1.6 -3,-0.7 -1,-0.2 0.900 110.7 55.4 -73.7 -38.0 4.4 11.6 -92.0 247 294 A D H 3<5S+ 0 0 120 -4,-3.7 -2,-0.2 1,-0.3 -3,-0.2 0.729 103.3 53.9 -66.2 -28.8 7.9 13.1 -91.7 248 295 A Q T 3<5S- 0 0 148 -4,-1.5 -1,-0.3 -5,-0.3 -2,-0.1 0.151 128.1-101.0 -91.3 16.6 9.6 9.7 -92.5 249 296 A N T < 5S+ 0 0 141 -3,-1.6 -3,-0.2 1,-0.3 -2,-0.2 0.536 80.5 132.1 77.4 11.2 7.4 9.7 -95.6 250 297 A F < - 0 0 22 -5,-2.0 -1,-0.3 -6,-0.2 3,-0.1 -0.425 53.1-127.2 -82.1 162.3 4.7 7.3 -94.4 251 298 A S >> - 0 0 37 -2,-0.1 3,-3.0 1,-0.1 4,-1.0 -0.926 19.9-121.6-109.3 140.5 1.0 8.0 -94.7 252 299 A P H >> S+ 0 0 14 0, 0.0 4,-2.0 0, 0.0 3,-1.0 0.883 112.8 59.5 -42.5 -46.1 -1.3 7.8 -91.6 253 300 A L H 3> S+ 0 0 10 1,-0.3 4,-2.7 2,-0.2 5,-0.1 0.566 93.4 66.8 -68.7 -6.1 -3.4 5.1 -93.3 254 301 A D H <> S+ 0 0 0 -3,-3.0 4,-2.5 2,-0.2 -1,-0.3 0.888 103.5 43.9 -77.1 -42.3 -0.3 3.0 -93.6 255 302 A F H X S+ 0 0 9 -4,-2.7 4,-1.5 1,-0.3 3,-0.8 0.931 110.4 52.6 -48.2 -51.0 -3.4 -0.8 -92.6 258 305 A L H 3< S+ 0 0 8 -4,-2.5 -1,-0.3 1,-0.3 3,-0.2 0.871 108.5 50.1 -53.5 -39.9 -0.8 -2.2 -90.1 259 306 A C H >< S+ 0 0 4 -4,-2.5 3,-0.7 -3,-0.4 -1,-0.3 0.792 107.6 56.2 -71.7 -22.4 -3.3 -2.0 -87.3 260 307 A L H << S+ 0 0 2 -4,-1.7 -1,-0.2 -3,-0.8 -2,-0.2 0.810 96.0 61.2 -78.4 -31.2 -5.8 -3.9 -89.5 261 308 A T T 3< S+ 0 0 70 -4,-1.5 2,-0.4 -3,-0.2 -1,-0.2 0.238 100.7 66.0 -84.9 14.8 -3.7 -6.9 -90.2 262 309 A S S < S- 0 0 20 -3,-0.7 71,-0.1 4,-0.0 -1,-0.1 -0.948 84.9-119.1-143.7 121.1 -3.5 -7.8 -86.5 263 310 A H > - 0 0 23 -2,-0.4 3,-1.7 1,-0.1 69,-0.1 -0.153 29.6-118.6 -52.5 148.5 -6.3 -8.8 -84.1 264 311 A Y T 3 S+ 0 0 12 67,-0.4 -32,-3.0 1,-0.3 -1,-0.1 0.696 111.4 59.4 -68.6 -17.8 -6.8 -6.4 -81.2 265 312 A R T 3 S+ 0 0 85 -34,-0.2 2,-0.3 2,-0.1 -1,-0.3 0.302 93.3 84.1 -96.7 10.4 -5.9 -9.1 -78.7 266 313 A N S < S- 0 0 91 -3,-1.7 -34,-0.2 -34,-0.1 2,-0.2 -0.857 84.8-114.3-102.6 151.3 -2.5 -9.5 -80.1 267 314 A Q - 0 0 114 -2,-0.3 2,-0.6 -33,-0.1 -33,-0.2 -0.508 29.8-135.4 -71.6 145.7 0.5 -7.5 -79.4 268 315 A L E -l 234 0E 13 -35,-1.6 -33,-3.0 -2,-0.2 2,-1.0 -0.960 6.0-149.7-109.9 118.9 1.7 -5.6 -82.4 269 316 A K E -l 235 0E 66 -2,-0.6 2,-0.3 -35,-0.2 -33,-0.2 -0.818 24.0-158.8 -88.3 106.1 5.4 -5.6 -83.0 270 317 A F + 0 0 27 -35,-3.1 2,-0.3 -2,-1.0 3,-0.1 -0.669 25.2 144.5 -88.6 145.0 5.9 -2.3 -84.7 271 318 A S > - 0 0 38 -2,-0.3 4,-1.7 -35,-0.1 5,-0.2 -0.940 59.3-107.3-165.3 162.7 8.8 -1.4 -86.9 272 319 A L H > S+ 0 0 54 -2,-0.3 4,-1.8 2,-0.2 5,-0.1 0.827 119.5 56.9 -59.2 -34.7 9.6 0.6 -90.0 273 320 A D H > S+ 0 0 127 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.904 110.1 41.6 -70.2 -41.3 10.0 -2.7 -91.9 274 321 A N H > S+ 0 0 79 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.777 114.1 52.7 -74.3 -27.6 6.5 -3.9 -91.0 275 322 A L H X S+ 0 0 1 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.830 108.4 52.9 -73.3 -27.3 5.1 -0.4 -91.6 276 323 A Q H X S+ 0 0 85 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.941 105.5 50.8 -74.7 -43.0 6.7 -0.6 -95.0 277 324 A A H X S+ 0 0 58 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.882 111.1 51.5 -53.6 -42.7 5.1 -3.9 -95.9 278 325 A S H X S+ 0 0 6 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.881 108.0 51.0 -64.7 -42.5 1.7 -2.3 -94.9 279 326 A K H X S+ 0 0 49 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.895 113.9 44.1 -58.3 -48.1 2.4 0.7 -97.1 280 327 A I H X S+ 0 0 82 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.863 114.1 49.2 -63.1 -45.4 3.2 -1.6 -100.1 281 328 A A H X S+ 0 0 23 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.899 113.7 46.7 -63.6 -42.7 0.2 -3.9 -99.5 282 329 A R H X S+ 0 0 19 -4,-2.4 4,-1.8 -5,-0.2 -2,-0.2 0.883 112.4 51.2 -66.4 -36.8 -2.0 -0.8 -99.2 283 330 A E H X S+ 0 0 73 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.909 110.5 47.5 -66.4 -41.7 -0.4 0.6 -102.4 284 331 A N H X S+ 0 0 78 -4,-2.7 4,-2.6 2,-0.2 5,-0.3 0.883 107.8 56.9 -66.7 -37.5 -1.0 -2.6 -104.3 285 332 A L H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.933 110.5 43.8 -54.6 -50.3 -4.6 -2.8 -103.1 286 333 A I H X S+ 0 0 8 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.905 113.9 49.9 -65.0 -44.0 -5.3 0.6 -104.5 287 334 A N H X S+ 0 0 82 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.855 112.2 47.8 -61.9 -38.5 -3.5 -0.1 -107.8 288 335 A K H X S+ 0 0 28 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.914 114.1 45.9 -71.2 -41.0 -5.4 -3.4 -108.3 289 336 A L H X S+ 0 0 0 -4,-2.1 4,-2.9 -5,-0.3 -2,-0.2 0.864 109.1 57.1 -69.9 -35.4 -8.7 -1.8 -107.6 290 337 A S H X S+ 0 0 0 -4,-2.4 4,-3.5 2,-0.2 5,-0.2 0.930 105.7 49.2 -61.0 -45.6 -7.8 1.1 -109.9 291 338 A Y H X S+ 0 0 150 -4,-1.9 4,-1.5 2,-0.2 -2,-0.2 0.932 112.6 49.1 -57.1 -46.7 -7.3 -1.2 -112.8 292 339 A F H < S+ 0 0 15 -4,-2.0 4,-0.2 1,-0.2 3,-0.2 0.949 115.5 43.3 -57.7 -47.1 -10.6 -2.8 -112.1 293 340 A Y H >< S+ 0 0 27 -4,-2.9 3,-1.6 1,-0.2 -2,-0.2 0.916 109.1 55.5 -71.2 -44.0 -12.3 0.6 -111.9 294 341 A E H 3< S+ 0 0 70 -4,-3.5 -1,-0.2 1,-0.2 -2,-0.2 0.831 103.9 58.8 -50.8 -33.4 -10.6 2.0 -115.0 295 342 A S T 3< S+ 0 0 59 -4,-1.5 -1,-0.2 -3,-0.2 -2,-0.2 0.508 83.2 114.9 -82.8 -2.4 -11.9 -0.9 -117.0 296 343 A L < - 0 0 8 -3,-1.6 -3,-0.0 -4,-0.2 -4,-0.0 -0.306 54.0-141.5 -76.1 149.3 -15.7 -0.4 -116.3 297 344 A D > - 0 0 81 -2,-0.1 4,-2.8 1,-0.0 5,-0.2 -0.521 39.5 -93.8 -92.1 169.7 -18.5 0.5 -118.7 298 345 A P H > S+ 0 0 48 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.896 123.0 50.3 -55.7 -40.5 -21.3 2.9 -117.8 299 346 A V H > S+ 0 0 110 1,-0.2 4,-1.5 2,-0.2 -3,-0.0 0.950 114.5 43.2 -66.8 -46.7 -23.8 0.2 -116.7 300 347 A D H > S+ 0 0 56 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.917 115.9 50.2 -59.6 -42.1 -21.2 -1.5 -114.4 301 348 A L H >X S+ 0 0 18 -4,-2.8 3,-1.4 1,-0.2 4,-0.7 0.931 106.2 52.1 -67.3 -45.4 -20.0 1.9 -113.1 302 349 A N H >X S+ 0 0 59 -4,-2.9 4,-1.5 1,-0.2 3,-1.2 0.868 101.2 66.6 -55.6 -35.7 -23.5 3.3 -112.3 303 350 A T H 3< S+ 0 0 48 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.704 98.8 49.3 -56.6 -29.5 -24.0 0.1 -110.2 304 351 A L H << S+ 0 0 1 -3,-1.4 -1,-0.3 -4,-0.6 -2,-0.2 0.558 104.4 58.5 -88.7 -13.8 -21.3 1.1 -107.7 305 352 A N H << S+ 0 0 81 -3,-1.2 -2,-0.2 -4,-0.7 3,-0.2 0.874 106.5 63.4 -73.7 -38.2 -22.8 4.5 -107.2 306 353 A K S < S- 0 0 63 -4,-1.5 2,-0.8 1,-0.2 -3,-0.1 0.382 113.0 -34.3 -71.5-162.5 -26.1 2.8 -106.2 307 354 A D > - 0 0 123 1,-0.2 3,-2.0 2,-0.1 -1,-0.2 -0.472 56.5-163.2 -66.0 97.8 -27.2 0.5 -103.3 308 355 A L T 3 S+ 0 0 22 -2,-0.8 -1,-0.2 1,-0.3 52,-0.1 0.812 83.4 51.9 -60.1 -38.2 -24.0 -1.5 -102.7 309 356 A K T 3 S+ 0 0 79 2,-0.1 2,-1.2 1,-0.1 -1,-0.3 0.310 80.3 100.5 -89.7 8.5 -25.5 -4.3 -100.7 310 357 A N S < S- 0 0 114 -3,-2.0 2,-0.2 2,-0.0 -1,-0.1 -0.802 74.0-151.2 -85.6 92.3 -28.1 -4.9 -103.3 311 358 A F - 0 0 42 -2,-1.2 3,-0.1 1,-0.1 -2,-0.1 -0.420 26.0-165.6 -77.0 139.5 -26.2 -7.9 -104.8 312 359 A G S S+ 0 0 54 1,-0.2 2,-0.4 -2,-0.2 -1,-0.1 0.621 77.3 40.5 -93.3 -16.9 -26.5 -8.9 -108.4 313 360 A F S >> S- 0 0 119 1,-0.1 3,-1.3 40,-0.0 4,-1.3 -0.999 72.0-132.9-139.1 137.7 -24.9 -12.4 -107.9 314 361 A S H 3> S+ 0 0 87 -2,-0.4 4,-2.5 1,-0.3 5,-0.1 0.770 107.3 64.8 -49.8 -32.1 -25.2 -15.0 -105.2 315 362 A V H 3> S+ 0 0 51 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.813 98.8 51.4 -72.3 -30.9 -21.4 -15.2 -105.2 316 363 A E H <> S+ 0 0 2 -3,-1.3 4,-2.8 2,-0.2 3,-0.3 0.968 109.8 49.4 -62.7 -56.4 -21.2 -11.7 -103.9 317 364 A K H X S+ 0 0 98 -4,-1.3 4,-3.1 1,-0.2 5,-0.2 0.877 107.8 56.1 -47.8 -48.2 -23.6 -12.5 -101.0 318 365 A E H X S+ 0 0 115 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.922 111.8 41.5 -45.2 -54.3 -21.5 -15.6 -100.2 319 366 A Y H X S+ 0 0 31 -4,-1.6 4,-1.7 -3,-0.3 -2,-0.2 0.849 113.0 54.1 -69.8 -35.1 -18.4 -13.4 -99.8 320 367 A Y H X S+ 0 0 40 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.946 111.7 44.6 -59.9 -46.9 -20.4 -10.8 -97.9 321 368 A D H X S+ 0 0 70 -4,-3.1 4,-2.0 1,-0.2 -2,-0.2 0.829 109.6 54.6 -68.0 -35.4 -21.7 -13.4 -95.4 322 369 A S H X S+ 0 0 32 -4,-1.8 4,-1.2 -5,-0.2 -1,-0.2 0.862 110.9 48.7 -65.7 -35.9 -18.2 -14.9 -95.1 323 370 A F H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 3,-0.3 0.940 110.1 48.4 -63.6 -54.9 -17.1 -11.4 -94.2 324 371 A V H X S+ 0 0 10 -4,-2.6 4,-2.1 1,-0.2 5,-0.2 0.867 108.5 55.7 -54.0 -39.1 -19.9 -10.8 -91.6 325 372 A E H X S+ 0 0 126 -4,-2.0 4,-1.2 1,-0.2 -1,-0.2 0.897 109.2 48.1 -64.6 -38.6 -19.0 -14.1 -90.1 326 373 A K H < S+ 0 0 54 -4,-1.2 6,-1.0 -3,-0.3 -2,-0.2 0.923 115.8 38.7 -70.2 -51.7 -15.4 -13.0 -89.6 327 374 A I H X S+ 0 0 0 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.781 111.5 59.6 -70.7 -27.1 -15.9 -9.6 -88.1 328 375 A S H < S+ 0 0 10 -4,-2.1 -324,-2.5 -5,-0.3 2,-1.4 0.782 91.7 74.5 -80.5 -24.8 -18.9 -10.8 -86.0 329 376 A F B < S-b 4 0A 93 -4,-1.2 3,-0.4 -5,-0.2 -1,-0.2 -0.680 131.8 -46.7 -86.2 86.1 -16.6 -13.3 -84.3 330 377 A D T 4 S- 0 0 3 -326,-2.3 -2,-0.2 -2,-1.4 -1,-0.2 0.810 99.5 -63.3 68.2 41.3 -14.6 -11.1 -82.1 331 378 A L S < S+ 0 0 6 -4,-1.5 2,-1.9 -327,-0.3 -67,-0.4 0.901 71.2 172.0 55.8 42.2 -13.6 -8.2 -84.3 332 379 A N > + 0 0 25 -6,-1.0 4,-0.6 -3,-0.4 -1,-0.2 -0.492 16.2 148.3 -81.1 73.5 -11.6 -10.3 -86.6 333 380 A V H > + 0 0 3 -2,-1.9 4,-2.9 1,-0.2 -1,-0.2 0.753 63.5 68.0 -74.7 -27.1 -11.0 -7.7 -89.2 334 381 A A H > S+ 0 0 23 -3,-0.3 4,-2.3 1,-0.3 -1,-0.2 0.886 101.8 46.7 -62.7 -38.6 -7.6 -9.1 -90.1 335 382 A Q H > S+ 0 0 95 2,-0.2 4,-1.4 1,-0.2 -1,-0.3 0.732 108.7 57.6 -73.1 -23.6 -9.4 -12.2 -91.6 336 383 A G H X S+ 0 0 0 -4,-0.6 4,-2.1 2,-0.2 3,-0.3 0.965 107.6 45.0 -65.6 -56.3 -11.7 -9.7 -93.3 337 384 A L H X S+ 0 0 3 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.927 110.6 54.6 -49.5 -49.8 -8.8 -8.1 -95.0 338 385 A A H X S+ 0 0 59 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.873 108.5 50.9 -52.2 -38.2 -7.4 -11.6 -95.9 339 386 A L H X S+ 0 0 3 -4,-1.4 4,-2.8 -3,-0.3 -1,-0.2 0.885 103.9 55.8 -71.9 -39.0 -10.7 -12.2 -97.5 340 387 A L H X S+ 0 0 1 -4,-2.1 4,-3.2 1,-0.2 -1,-0.2 0.900 107.8 49.8 -59.9 -39.5 -10.7 -9.1 -99.6 341 388 A W H X S+ 0 0 78 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.884 108.2 52.0 -68.7 -37.1 -7.4 -10.2 -101.0 342 389 A E H X S+ 0 0 109 -4,-1.8 4,-0.8 -5,-0.2 -2,-0.2 0.951 113.1 47.5 -57.8 -46.1 -8.8 -13.6 -101.8 343 390 A I H >< S+ 0 0 0 -4,-2.8 3,-1.1 2,-0.2 -2,-0.2 0.941 109.3 51.3 -59.4 -51.1 -11.6 -11.7 -103.5 344 391 A I H 3< S+ 0 0 10 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.916 116.0 41.1 -53.0 -47.8 -9.3 -9.3 -105.5 345 392 A K H 3< S+ 0 0 78 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.480 94.0 117.9 -81.5 -6.6 -7.2 -12.3 -106.9 346 393 A S << - 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