==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 03-SEP-09 3IWW . COMPND 2 MOLECULE: GLUTAMATE CARBOXYPEPTIDASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.BARINKA,J.LUBKOWSKI . 694 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26295.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 466 67.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 6.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 61 8.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 1 0.1 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 . 32 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 74 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 205 29.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.7 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 1 1 1 4 2 3 1 1 0 0 0 0 1 1 0 3 0 0 1 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 2 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 PARALLEL BRIDGES PER LADDER . 7 1 1 1 2 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 2 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 55 A K 0 0 216 0, 0.0 2,-0.7 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 168.6 16.1 46.7 81.8 2 56 A H + 0 0 58 4,-0.1 2,-0.2 3,-0.0 349,-0.0 -0.733 360.0 119.4-114.4 85.1 14.4 47.2 78.4 3 57 A N S > S- 0 0 68 -2,-0.7 4,-1.6 0, 0.0 3,-0.2 -0.626 77.5 -77.2-136.8-174.9 16.8 49.3 76.3 4 58 A M H > S+ 0 0 29 1,-0.2 4,-2.7 -2,-0.2 5,-0.2 0.897 122.9 54.9 -65.1 -36.8 18.7 49.1 73.1 5 59 A K H > S+ 0 0 142 1,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.861 104.9 54.2 -63.3 -37.4 21.6 47.0 74.4 6 60 A A H > S+ 0 0 29 -3,-0.2 4,-0.6 2,-0.2 -1,-0.3 0.919 111.8 46.8 -60.8 -39.7 19.1 44.3 75.6 7 61 A F H >X S+ 0 0 0 -4,-1.6 3,-1.3 1,-0.2 4,-0.8 0.969 110.9 49.0 -66.5 -56.0 17.8 44.3 72.0 8 62 A L H >< S+ 0 0 18 -4,-2.7 3,-0.9 1,-0.2 -2,-0.2 0.882 109.9 53.8 -49.7 -42.5 21.2 44.2 70.3 9 63 A D H 3< S+ 0 0 93 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.607 97.5 62.5 -76.5 -10.2 22.3 41.3 72.6 10 64 A E H << S+ 0 0 51 -3,-1.3 2,-0.3 -4,-0.6 -1,-0.2 0.712 83.3 95.9 -84.5 -19.0 19.3 39.1 71.8 11 65 A L << - 0 0 6 -3,-0.9 2,-0.4 -4,-0.8 3,-0.1 -0.578 61.0-169.1 -70.0 125.0 20.5 39.0 68.1 12 66 A K >> - 0 0 87 -2,-0.3 4,-1.6 1,-0.1 3,-0.9 -0.988 29.8-142.0-124.7 127.5 22.5 35.8 67.5 13 67 A A H 3> S+ 0 0 22 -2,-0.4 4,-2.0 1,-0.2 5,-0.2 0.866 103.5 58.7 -41.1 -45.1 24.7 34.8 64.5 14 68 A E H 3> S+ 0 0 96 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.825 103.0 50.6 -65.3 -33.8 23.5 31.2 64.9 15 69 A N H <> S+ 0 0 37 -3,-0.9 4,-2.4 2,-0.2 -1,-0.2 0.900 108.4 51.8 -68.6 -42.5 19.8 32.1 64.4 16 70 A I H X S+ 0 0 0 -4,-1.6 4,-3.1 1,-0.2 -2,-0.2 0.898 109.7 50.7 -56.9 -42.3 20.6 34.1 61.3 17 71 A K H X S+ 0 0 57 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.891 109.3 50.3 -63.3 -44.1 22.4 31.0 59.9 18 72 A K H X S+ 0 0 124 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.942 114.3 45.6 -59.2 -45.2 19.4 28.7 60.7 19 73 A F H X S+ 0 0 27 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.933 110.4 51.3 -65.8 -46.4 17.1 31.1 59.0 20 74 A L H X S+ 0 0 0 -4,-3.1 4,-0.7 1,-0.2 -1,-0.2 0.960 112.2 47.9 -58.1 -46.6 19.3 31.6 55.9 21 75 A Y H >< S+ 0 0 116 -4,-2.5 3,-1.2 1,-0.2 4,-0.3 0.947 112.5 48.3 -54.9 -51.3 19.5 27.9 55.5 22 76 A N H >< S+ 0 0 75 -4,-2.5 3,-0.6 1,-0.2 -1,-0.2 0.825 112.3 49.8 -57.8 -35.5 15.8 27.4 55.9 23 77 A F H 3< S+ 0 0 2 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.495 110.4 47.4 -85.9 -8.0 15.0 30.1 53.4 24 78 A T T << S+ 0 0 0 -3,-1.2 481,-0.4 -4,-0.7 -1,-0.2 0.196 74.1 98.9-124.6 14.4 17.2 29.0 50.6 25 79 A Q S < S+ 0 0 60 -3,-0.6 -1,-0.1 -4,-0.3 -2,-0.1 0.774 94.0 20.2 -77.5 -20.1 16.7 25.3 50.1 26 80 A I S S- 0 0 76 303,-0.2 2,-0.1 -3,-0.1 -1,-0.1 -0.928 94.6 -84.1-142.2 164.8 14.3 25.8 47.1 27 81 A P - 0 0 9 0, 0.0 302,-0.2 0, 0.0 301,-0.1 -0.421 29.2-166.6 -71.9 145.6 13.5 28.6 44.6 28 82 A H + 0 0 9 300,-1.4 298,-1.3 6,-0.1 300,-0.1 -0.344 17.6 174.2-124.8 49.6 11.1 31.3 45.7 29 83 A L > - 0 0 14 296,-0.2 3,-2.0 298,-0.2 6,-0.4 -0.297 43.9 -94.6 -57.8 133.6 10.3 33.0 42.4 30 84 A A T 3 S+ 0 0 0 296,-0.3 -1,-0.1 1,-0.2 3,-0.1 -0.231 109.7 19.3 -48.7 133.3 7.5 35.6 42.6 31 85 A G T 3 S+ 0 0 27 1,-0.3 -1,-0.2 269,-0.1 269,-0.2 0.273 97.3 118.0 88.0 -9.5 4.0 34.2 41.7 32 86 A T S <> S- 0 0 30 -3,-2.0 4,-1.5 1,-0.1 -1,-0.3 -0.506 74.6-118.3 -87.8 159.2 5.0 30.5 42.3 33 87 A E H > S+ 0 0 110 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.819 112.9 59.2 -60.9 -37.3 3.4 28.2 44.9 34 88 A Q H > S+ 0 0 55 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.913 105.7 49.1 -61.2 -40.5 6.8 27.8 46.7 35 89 A N H > S+ 0 0 1 -6,-0.4 4,-1.9 2,-0.2 -1,-0.2 0.883 109.6 51.5 -67.2 -36.4 7.0 31.5 47.3 36 90 A F H X S+ 0 0 44 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.912 108.2 52.6 -67.1 -40.9 3.4 31.5 48.6 37 91 A Q H X S+ 0 0 78 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.888 107.5 50.9 -57.9 -45.4 4.4 28.7 51.0 38 92 A L H X S+ 0 0 5 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.890 107.4 54.3 -63.4 -36.7 7.3 30.7 52.3 39 93 A A H X S+ 0 0 0 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.940 109.1 48.0 -58.2 -45.3 4.9 33.6 52.9 40 94 A K H X S+ 0 0 96 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.852 111.1 50.7 -66.8 -35.0 2.6 31.4 55.0 41 95 A Q H X S+ 0 0 61 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.919 111.5 47.6 -64.4 -47.7 5.6 30.2 57.0 42 96 A I H X S+ 0 0 6 -4,-2.6 4,-3.3 1,-0.2 5,-0.3 0.962 112.4 50.4 -57.4 -50.9 6.8 33.8 57.6 43 97 A Q H X S+ 0 0 29 -4,-2.8 4,-1.7 1,-0.2 -1,-0.2 0.934 112.6 44.4 -56.2 -50.9 3.4 34.8 58.6 44 98 A S H X S+ 0 0 52 -4,-2.1 4,-1.6 -5,-0.2 -1,-0.2 0.884 115.2 48.7 -69.6 -34.4 2.9 32.0 61.1 45 99 A Q H X S+ 0 0 40 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.920 105.6 56.1 -69.4 -42.6 6.4 32.4 62.6 46 100 A W H X>S+ 0 0 5 -4,-3.3 5,-2.0 2,-0.2 4,-0.9 0.845 107.3 51.7 -54.9 -33.2 6.1 36.1 63.0 47 101 A K H ><5S+ 0 0 108 -4,-1.7 3,-0.6 -5,-0.3 -2,-0.2 0.934 110.5 47.6 -63.3 -47.3 2.9 35.3 65.1 48 102 A E H 3<5S+ 0 0 116 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.872 105.5 58.9 -58.4 -43.4 5.0 32.9 67.2 49 103 A F H 3<5S- 0 0 25 -4,-2.8 -1,-0.2 -5,-0.1 304,-0.2 0.779 126.7 -99.6 -61.2 -27.4 7.7 35.4 67.6 50 104 A G T <<5 + 0 0 9 -4,-0.9 -3,-0.2 -3,-0.6 -2,-0.1 0.498 63.3 156.2 126.6 8.1 5.1 37.7 69.2 51 105 A L < - 0 0 11 -5,-2.0 257,-0.2 1,-0.1 -1,-0.2 -0.243 46.0-127.1 -64.1 152.7 3.8 40.3 66.8 52 106 A D S S- 0 0 53 255,-2.0 2,-0.3 1,-0.3 256,-0.2 0.894 88.7 -1.8 -68.2 -38.6 0.3 41.8 67.5 53 107 A S E -A 307 0A 50 254,-1.2 254,-2.8 -7,-0.0 2,-0.4 -0.987 58.1-171.3-153.2 145.6 -0.9 41.0 64.0 54 108 A V E +A 306 0A 1 -2,-0.3 2,-0.3 252,-0.2 252,-0.2 -0.962 19.0 171.2-138.5 122.6 0.5 39.4 60.9 55 109 A E E -A 305 0A 126 250,-2.1 250,-2.5 -2,-0.4 2,-0.4 -0.889 32.3-122.1-133.2 151.3 -1.5 39.4 57.6 56 110 A L E -A 304 0A 44 -2,-0.3 2,-0.5 248,-0.2 248,-0.2 -0.830 20.6-163.2 -86.8 130.7 -1.0 38.6 53.9 57 111 A A E -A 303 0A 18 246,-2.7 246,-3.4 -2,-0.4 2,-0.3 -0.990 15.4-166.0-113.5 116.3 -1.7 41.5 51.6 58 112 A H E +A 302 0A 73 -2,-0.5 2,-0.3 244,-0.2 244,-0.2 -0.760 12.0 179.6-107.5 149.6 -2.2 40.1 48.0 59 113 A Y E -A 301 0A 0 242,-1.8 242,-2.7 -2,-0.3 2,-0.7 -0.957 27.5-130.3-140.3 154.4 -2.2 41.9 44.6 60 114 A D E +A 300 0A 26 160,-2.4 240,-0.3 -2,-0.3 2,-0.2 -0.927 43.7 169.1-111.8 107.5 -2.7 40.6 41.0 61 115 A V E -A 299 0A 0 238,-2.6 238,-2.9 -2,-0.7 2,-0.7 -0.717 42.8 -92.2-124.3 159.6 0.2 42.1 39.0 62 116 A L E +A 298 0A 6 -2,-0.2 236,-0.3 236,-0.2 2,-0.2 -0.694 50.9 172.3 -75.0 118.9 1.8 41.8 35.6 63 117 A L E -A 297 0A 0 234,-3.3 234,-2.8 -2,-0.7 2,-0.4 -0.609 21.0-135.8-114.3 177.2 4.6 39.2 35.9 64 118 A S E +A 296 0A 0 232,-0.2 232,-0.2 -2,-0.2 45,-0.1 -0.992 22.6 170.9-145.0 128.3 6.8 37.7 33.2 65 119 A Y E -A 295 0A 22 230,-2.3 230,-3.0 -2,-0.4 43,-0.0 -0.987 33.0-109.1-137.5 149.1 8.0 34.1 32.5 66 120 A P - 0 0 16 0, 0.0 2,-0.7 0, 0.0 228,-0.1 -0.334 43.8-103.0 -62.7 154.5 9.7 32.0 29.9 67 121 A N > - 0 0 57 3,-0.4 3,-1.6 1,-0.1 5,-0.1 -0.776 24.4-145.5 -82.2 113.6 7.6 29.5 28.1 68 122 A K T 3 S+ 0 0 185 -2,-0.7 -1,-0.1 1,-0.3 0, 0.0 0.685 96.5 35.9 -49.4 -27.1 8.4 26.0 29.5 69 123 A T T 3 S+ 0 0 128 1,-0.2 -1,-0.3 2,-0.0 -2,-0.0 0.056 118.3 46.0-123.7 25.2 8.0 24.3 26.1 70 124 A H S < S- 0 0 92 -3,-1.6 -3,-0.4 2,-0.0 -1,-0.2 -0.510 85.3-156.1-159.8 74.9 9.5 26.9 23.6 71 125 A P - 0 0 55 0, 0.0 2,-0.2 0, 0.0 -3,-0.1 -0.147 15.2-112.7 -68.8 151.7 12.7 28.1 25.3 72 126 A N + 0 0 12 17,-0.1 2,-0.3 34,-0.1 220,-0.2 -0.610 50.2 146.3 -74.7 140.6 14.5 31.4 24.7 73 127 A Y E -I 291 0B 47 218,-1.6 218,-2.0 -2,-0.2 2,-0.4 -0.977 38.6-124.7-164.6 167.1 17.8 31.2 22.9 74 128 A I E -I 290 0B 0 -2,-0.3 13,-2.3 216,-0.2 2,-0.3 -0.928 25.0-167.5-119.6 142.5 20.2 33.0 20.5 75 129 A S E -IJ 289 86B 0 214,-2.9 214,-2.8 -2,-0.4 2,-0.6 -0.929 27.2-135.7-121.2 151.4 21.7 31.7 17.3 76 130 A I E -IJ 288 85B 3 9,-1.7 8,-2.4 -2,-0.3 9,-1.2 -0.940 36.7-163.7 -89.1 124.5 24.3 32.4 14.8 77 131 A I E -IJ 287 83B 13 210,-3.1 210,-3.0 -2,-0.6 6,-0.2 -0.897 5.1-142.3-110.8 138.7 22.5 31.7 11.5 78 132 A N > - 0 0 40 4,-2.1 3,-1.7 -2,-0.4 208,-0.1 -0.340 36.8 -88.5 -89.9-179.2 24.3 31.2 8.1 79 133 A E T 3 S+ 0 0 150 1,-0.3 -1,-0.0 2,-0.1 207,-0.0 0.849 126.3 53.9 -57.2 -39.3 23.2 32.3 4.6 80 134 A D T 3 S- 0 0 131 2,-0.1 -1,-0.3 1,-0.1 -3,-0.0 0.464 122.7-104.1 -72.5 -7.0 21.2 29.1 4.0 81 135 A G S < S+ 0 0 39 -3,-1.7 2,-0.3 1,-0.3 -2,-0.1 0.440 71.2 146.5 94.1 0.4 19.2 29.6 7.2 82 136 A N - 0 0 94 1,-0.1 -4,-2.1 -5,-0.1 2,-1.0 -0.544 50.5-130.6 -77.8 131.3 21.0 27.0 9.4 83 137 A E E +J 77 0B 66 -2,-0.3 -6,-0.2 -6,-0.2 3,-0.1 -0.702 31.8 174.2 -81.9 106.0 21.5 27.7 13.1 84 138 A I E + 0 0 81 -8,-2.4 2,-0.3 -2,-1.0 -1,-0.2 0.658 65.0 28.0 -94.6 -20.1 25.2 26.9 13.4 85 139 A F E -J 76 0B 36 -9,-1.2 -9,-1.7 2,-0.0 2,-0.4 -0.991 66.0-169.2-141.2 139.7 25.6 28.0 17.1 86 140 A N E -J 75 0B 81 -2,-0.3 -11,-0.2 -11,-0.2 3,-0.1 -0.990 20.8-128.6-127.8 131.8 23.1 28.0 19.9 87 141 A T - 0 0 4 -13,-2.3 156,-0.0 -2,-0.4 -2,-0.0 -0.362 47.3 -83.9 -67.0 157.1 23.3 29.6 23.4 88 142 A S - 0 0 52 1,-0.1 -1,-0.1 -15,-0.1 -14,-0.1 -0.178 24.1-142.5 -67.8 158.2 22.5 27.3 26.3 89 143 A L S S+ 0 0 84 1,-0.2 2,-0.3 -3,-0.1 -17,-0.1 0.536 81.8 7.0 -97.1 -9.4 18.9 26.7 27.5 90 144 A F S S- 0 0 131 15,-0.1 -1,-0.2 107,-0.0 14,-0.0 -0.948 80.8-100.7-162.8 157.4 19.7 26.6 31.3 91 145 A E - 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0 0 23 -5,-2.3 -1,-0.3 -6,-0.1 -2,-0.1 -0.618 31.3-175.6 -88.5 148.8 8.0 45.9 76.7 357 411 A R - 0 0 61 -2,-0.2 -47,-0.1 178,-0.0 2,-0.1 -0.988 30.3-109.2-133.3 149.3 6.5 47.8 73.7 358 412 A P - 0 0 0 0, 0.0 -47,-2.8 0, 0.0 -46,-0.3 -0.391 26.4-122.4 -65.8 155.9 8.2 50.3 71.5 359 413 A R S S+ 0 0 41 175,-0.4 -46,-3.3 -49,-0.3 -47,-1.2 0.912 97.9 40.1 -61.0 -44.1 7.0 53.8 71.9 360 414 A R E S- c 0 313A 1 174,-2.3 2,-0.3 -48,-0.2 -49,-0.2 -0.660 100.7 -93.7-104.4 162.2 6.0 54.0 68.1 361 415 A T E - c 0 317A 7 -45,-2.2 -43,-2.3 -48,-1.0 2,-0.5 -0.552 36.6-150.0 -74.4 137.7 4.3 51.3 66.0 362 416 A I E -Bc 308 318A 0 -54,-2.9 -54,-3.2 -2,-0.3 2,-0.4 -0.936 7.4-163.1-107.8 133.3 6.8 49.0 64.1 363 417 A L E -Bc 307 319A 15 -45,-2.9 -43,-3.0 -2,-0.5 2,-0.4 -0.951 1.9-163.0-111.4 130.5 5.7 47.4 60.8 364 418 A F E -Bc 306 320A 0 -58,-2.9 -58,-3.3 -2,-0.4 2,-0.4 -0.960 10.7-167.1-110.4 133.5 7.7 44.5 59.4 365 419 A A E -Bc 305 321A 3 -45,-2.5 -43,-2.5 -2,-0.4 2,-0.6 -0.972 24.1-168.1-128.9 136.1 7.3 43.6 55.7 366 420 A S E -Bc 304 322A 9 -62,-2.4 -62,-2.3 -2,-0.4 -43,-0.2 -0.943 32.1-156.2-111.1 97.7 8.3 40.7 53.6 367 421 A W E - 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0 0 1 -76,-3.3 84,-0.6 -2,-0.4 2,-0.3 0.913 62.9 -24.0 -84.3 -49.6 8.2 58.1 60.4 394 448 A A E -de 318 477A 0 -77,-1.2 -75,-2.7 82,-0.1 2,-0.4 -0.988 47.2-138.7-164.7 155.7 10.9 56.1 58.5 395 449 A Y E -de 319 478A 0 82,-2.3 84,-1.8 -2,-0.3 2,-0.5 -0.995 13.3-165.4-126.5 124.8 11.5 53.2 56.2 396 450 A I E -de 320 479A 1 -77,-3.0 -75,-2.5 -2,-0.4 84,-0.2 -0.962 14.2-146.2-111.8 123.8 14.5 50.8 56.7 397 451 A N E -d 321 0A 0 82,-2.8 84,-0.4 -2,-0.5 -75,-0.2 -0.522 14.3-174.4 -83.2 151.2 15.3 48.5 53.8 398 452 A A + 0 0 0 -77,-1.6 -57,-0.2 -2,-0.2 3,-0.1 -0.468 28.4 136.0-146.2 68.0 16.8 45.0 54.3 399 453 A D S S- 0 0 4 1,-0.3 -66,-0.1 -77,-0.2 66,-0.0 -0.082 73.7 -3.1 -83.8-157.6 17.6 43.4 51.0 400 454 A S - 0 0 3 1,-0.1 -1,-0.3 -63,-0.1 -67,-0.1 0.086 59.0-156.3 -30.8 124.2 21.0 41.5 50.9 401 455 A S S S+ 0 0 0 -69,-0.3 82,-3.1 -3,-0.1 2,-0.3 0.835 77.1 24.3 -70.9 -38.4 23.0 41.9 54.2 402 456 A I B +f 483 0A 1 80,-0.2 82,-0.2 -70,-0.1 3,-0.1 -0.900 40.9 162.7-128.6 159.5 26.4 41.2 52.5 403 457 A E S S- 0 0 12 80,-0.7 2,-0.3 1,-0.6 81,-0.2 0.099 88.3 -5.8-155.3 1.1 27.8 41.6 49.0 404 458 A G - 0 0 8 79,-0.4 -1,-0.6 80,-0.2 81,-0.2 -0.919 66.4-121.7-175.1-171.9 31.4 41.4 50.3 405 459 A N S S+ 0 0 75 -2,-0.3 80,-0.2 -3,-0.1 3,-0.1 0.032 80.9 92.7-136.9 28.3 33.1 41.3 53.7 406 460 A Y S S- 0 0 65 78,-2.3 2,-0.3 1,-0.3 79,-0.2 0.929 91.9 -31.7 -91.5 -54.0 35.4 44.4 53.6 407 461 A T E -G 484 0A 3 77,-1.6 77,-3.2 39,-0.1 -1,-0.3 -0.965 67.9 -73.1-158.1 172.0 33.4 47.2 55.1 408 462 A L E -G 483 0A 0 -2,-0.3 2,-0.4 75,-0.2 75,-0.2 -0.385 34.2-162.0 -70.2 147.9 29.9 48.8 55.7 409 463 A R E -G 482 0A 51 73,-2.4 73,-2.3 -2,-0.1 2,-0.4 -0.996 10.8-177.5-131.9 133.8 28.0 50.6 53.0 410 464 A V E +G 481 0A 3 47,-0.4 49,-2.3 -2,-0.4 2,-0.4 -1.000 13.9 179.5-138.1 131.7 25.1 53.0 53.8 411 465 A D E +Gh 480 459A 15 69,-1.8 69,-1.7 -2,-0.4 2,-0.3 -0.989 30.0 130.9-122.3 128.7 22.7 55.0 51.7 412 466 A C E -G 479 0A 2 47,-1.4 67,-0.2 -2,-0.4 49,-0.1 -0.967 58.3 -73.9-161.9 173.0 20.1 57.1 53.4 413 467 A T > - 0 0 1 65,-1.8 3,-2.1 -2,-0.3 4,-0.2 -0.461 46.9-114.7 -65.5 146.4 18.5 60.6 53.7 414 468 A P G > S+ 0 0 0 0, 0.0 3,-1.7 0, 0.0 4,-0.4 0.758 113.0 74.4 -52.2 -26.1 20.7 63.3 55.3 415 469 A L G 3 S+ 0 0 1 1,-0.3 127,-1.2 126,-0.1 4,-0.2 0.790 99.5 43.9 -63.0 -22.6 18.0 63.3 58.1 416 470 A M G <> S+ 0 0 0 -3,-2.1 4,-2.4 125,-0.2 -1,-0.3 0.365 83.7 98.0-101.8 6.0 19.5 60.0 59.3 417 471 A Y H <> S+ 0 0 34 -3,-1.7 4,-2.7 1,-0.2 -1,-0.1 0.913 86.1 45.5 -60.4 -46.4 23.2 60.7 59.1 418 472 A S H > S+ 0 0 35 -4,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.848 111.8 53.6 -67.2 -33.1 23.8 61.6 62.7 419 473 A L H > S+ 0 0 9 121,-0.3 4,-2.8 -4,-0.2 5,-0.2 0.966 110.8 45.8 -62.9 -55.8 21.7 58.5 63.8 420 474 A V H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 5,-0.2 0.918 113.9 50.1 -52.9 -47.0 23.9 56.2 61.6 421 475 A H H X S+ 0 0 20 -4,-2.7 4,-1.3 -5,-0.2 -2,-0.2 0.958 114.2 42.6 -59.1 -52.2 27.0 57.9 63.0 422 476 A N H X S+ 0 0 98 -4,-2.6 4,-0.7 2,-0.2 -2,-0.2 0.875 113.7 51.2 -62.7 -41.4 26.0 57.6 66.7 423 477 A L H >< S+ 0 0 13 -4,-2.8 3,-1.6 1,-0.2 4,-0.4 0.964 109.4 49.2 -64.2 -47.4 24.7 54.0 66.3 424 478 A T H >< S+ 0 0 0 -4,-2.3 16,-2.2 1,-0.3 15,-0.7 0.711 103.5 61.5 -67.8 -21.5 27.9 52.7 64.6 425 479 A K H 3< S+ 0 0 92 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.747 106.5 47.3 -71.2 -21.5 30.1 54.3 67.3 426 480 A E T << S+ 0 0 158 -3,-1.6 2,-0.3 -4,-0.7 -2,-0.2 0.477 100.5 83.3 -97.9 -0.6 28.4 52.1 69.8 427 481 A L S < S- 0 0 8 -3,-0.5 12,-2.6 -4,-0.4 13,-0.4 -0.742 81.1-113.6-103.9 146.8 28.7 48.9 67.7 428 482 A K B -T 438 0H 174 -2,-0.3 10,-0.3 10,-0.3 7,-0.1 -0.537 27.3-119.4 -73.7 140.3 31.8 46.6 67.6 429 483 A S - 0 0 9 8,-3.3 7,-0.2 5,-0.4 8,-0.2 -0.710 17.1-162.4 -73.1 128.5 33.7 46.3 64.4 430 484 A P + 0 0 19 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.457 54.7 116.0 -87.5 1.6 33.7 42.7 63.2 431 485 A D S > S- 0 0 2 3,-0.2 3,-1.4 1,-0.1 -2,-0.1 -0.453 74.8-109.7 -74.9 139.1 36.7 43.4 60.9 432 486 A E T 3 S+ 0 0 128 1,-0.2 -1,-0.1 -2,-0.2 0, 0.0 -0.418 107.9 28.2 -63.1 139.6 40.0 41.6 61.4 433 487 A G T 3 S+ 0 0 57 -2,-0.1 -1,-0.2 1,-0.0 -2,-0.1 0.564 112.8 71.7 77.2 14.2 42.6 44.2 62.7 434 488 A F X + 0 0 30 -3,-1.4 3,-2.0 -5,-0.1 -5,-0.4 0.078 57.8 140.9-145.9 13.2 39.9 46.3 64.4 435 489 A E T 3 S+ 0 0 139 1,-0.3 3,-0.1 -5,-0.1 -3,-0.0 -0.491 75.3 27.5 -65.0 136.4 38.8 44.1 67.3 436 490 A G T 3 S+ 0 0 91 1,-0.4 -1,-0.3 -7,-0.2 2,-0.2 0.140 107.4 104.8 91.9 -17.3 38.2 46.3 70.3 437 491 A K S < S- 0 0 94 -3,-2.0 -8,-3.3 -8,-0.2 -1,-0.4 -0.549 74.3-105.4-100.1 163.6 37.3 49.1 67.9 438 492 A S B > -T 428 0H 28 -10,-0.3 4,-1.7 -2,-0.2 -10,-0.3 -0.424 23.1-119.3 -84.4 154.1 33.9 50.5 66.9 439 493 A L H > S+ 0 0 0 -12,-2.6 4,-2.6 -15,-0.7 5,-0.3 0.841 114.3 61.1 -53.4 -38.8 32.2 49.9 63.6 440 494 A Y H > S+ 0 0 31 -16,-2.2 4,-2.9 -13,-0.4 5,-0.2 0.922 105.0 46.6 -56.7 -44.3 32.3 53.6 63.0 441 495 A E H > S+ 0 0 88 -17,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.894 113.9 44.5 -67.3 -44.6 36.1 53.6 63.1 442 496 A S H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 5,-0.3 0.958 116.7 48.5 -64.1 -48.1 36.6 50.6 60.8 443 497 A W H X S+ 0 0 1 -4,-2.6 4,-2.5 1,-0.2 14,-0.2 0.931 113.4 46.1 -55.7 -52.1 34.0 52.0 58.4 444 498 A T H < S+ 0 0 23 -4,-2.9 -1,-0.2 -5,-0.3 -2,-0.2 0.907 113.1 50.5 -56.8 -43.3 35.5 55.5 58.4 445 499 A K H < S+ 0 0 149 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.941 119.3 34.6 -62.9 -45.1 39.0 54.1 57.9 446 500 A K H < S+ 0 0 42 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.744 129.2 31.6 -86.1 -22.6 38.1 51.8 54.9 447 501 A S S < S- 0 0 17 -4,-2.5 10,-2.7 -5,-0.3 -1,-0.2 -0.534 80.0-173.6-136.8 67.9 35.4 54.0 53.3 448 502 A P B -U 456 0I 71 0, 0.0 5,-0.1 0, 0.0 -3,-0.1 -0.221 30.9-106.6 -68.6 145.8 36.3 57.7 53.8 449 503 A S - 0 0 22 6,-3.1 6,-0.1 3,-0.4 8,-0.1 -0.486 18.1-140.9 -57.5 135.7 34.0 60.6 52.8 450 504 A P S S+ 0 0 80 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.814 98.9 42.5 -66.9 -30.9 35.4 62.4 49.8 451 505 A E S S+ 0 0 108 1,-0.2 2,-0.4 -3,-0.0 6,-0.0 0.974 118.9 23.1 -74.9 -78.4 34.2 65.7 51.5 452 506 A F S > S- 0 0 85 4,-0.1 3,-0.8 1,-0.0 -3,-0.4 -0.773 74.5-133.1-100.6 133.5 35.0 65.8 55.2 453 507 A S T 3 S+ 0 0 122 -2,-0.4 -9,-0.0 1,-0.2 -1,-0.0 -0.385 90.2 41.5 -78.4 163.9 37.8 63.6 56.8 454 508 A G T 3 S+ 0 0 45 1,-0.2 -1,-0.2 -10,-0.1 -10,-0.1 0.477 102.8 92.9 71.8 4.1 37.1 61.6 60.0 455 509 A M S < S- 0 0 61 -3,-0.8 -6,-3.1 -6,-0.1 -1,-0.2 -0.965 72.6-124.6-124.5 148.0 33.6 60.7 58.4 456 510 A P B -U 448 0I 5 0, 0.0 2,-0.3 0, 0.0 -12,-0.1 -0.445 34.4 -92.5 -88.2 164.1 32.5 57.8 56.4 457 511 A R - 0 0 73 -10,-2.7 -47,-0.4 -14,-0.2 2,-0.4 -0.551 38.5-177.6 -72.8 127.8 30.9 57.8 52.9 458 512 A I - 0 0 26 -2,-0.3 -47,-0.2 -49,-0.1 2,-0.1 -0.995 15.9-149.2-124.0 125.2 27.1 57.8 52.8 459 513 A S B -h 411 0A 26 -49,-2.3 -47,-1.4 -2,-0.4 2,-0.2 -0.364 16.2 -98.8 -91.6 172.0 25.5 57.7 49.4 460 514 A K - 0 0 49 -49,-0.2 187,-0.5 187,-0.2 2,-0.3 -0.565 35.6-116.8 -86.7 145.8 22.2 59.0 47.9 461 515 A L + 0 0 3 -2,-0.2 187,-0.2 -49,-0.1 177,-0.1 -0.691 40.9 159.3 -80.9 137.2 19.2 56.8 47.4 462 516 A G - 0 0 2 1,-0.4 183,-0.2 183,-0.4 2,-0.2 0.170 46.9 -71.9-118.7-115.5 18.0 56.2 43.8 463 517 A S S S+ 0 0 2 181,-2.4 -1,-0.4 183,-0.2 3,-0.1 -0.521 80.7 99.0-127.1-160.0 15.8 53.3 42.8 464 518 A G S S+ 0 0 18 1,-0.2 2,-0.3 -2,-0.2 -90,-0.1 0.410 82.2 58.9 97.8 -6.2 16.4 49.6 42.5 465 519 A N S > S- 0 0 5 -3,-0.1 3,-2.3 -92,-0.1 4,-0.2 -0.971 94.3 -91.6-153.4 171.9 15.0 48.5 45.8 466 520 A D T 3 S+ 0 0 0 1,-0.3 4,-0.5 -2,-0.3 3,-0.3 0.583 110.5 71.6 -69.2 -9.9 11.8 48.6 47.8 467 521 A F T 3> S+ 0 0 0 1,-0.2 4,-2.6 2,-0.1 5,-0.3 0.659 78.0 90.0 -66.4 -18.1 12.6 51.9 49.7 468 522 A E H <>>S+ 0 0 2 -3,-2.3 4,-2.3 1,-0.2 5,-0.9 0.906 84.9 42.1 -55.6 -51.6 11.9 53.6 46.4 469 523 A V H >>S+ 0 0 1 -3,-0.3 5,-2.1 1,-0.2 4,-0.5 0.870 114.7 52.5 -62.9 -36.8 8.2 54.3 46.7 470 524 A F H 45S+ 0 0 0 -4,-0.5 6,-2.6 3,-0.2 -1,-0.2 0.915 123.6 27.2 -61.4 -41.3 8.5 55.3 50.4 471 525 A F H X5S+ 0 0 1 -4,-2.6 4,-1.0 4,-0.2 -2,-0.2 0.961 126.9 36.5 -91.5 -56.7 11.2 57.8 49.6 472 526 A Q H <5S+ 0 0 0 -4,-2.3 161,-2.1 -5,-0.3 162,-0.8 0.814 131.3 26.6 -70.6 -34.4 10.8 59.1 46.0 473 527 A R T < + 0 0 132 1,-0.2 3,-3.2 3,-0.1 -1,-0.2 -0.288 39.7 170.5 -70.4 60.6 35.9 47.5 44.8 488 542 A E G > S+ 0 0 86 -2,-2.3 3,-1.2 1,-0.3 -1,-0.2 0.704 75.4 66.1 -29.8 -37.8 34.4 51.1 44.7 489 543 A T G 3 S+ 0 0 96 1,-0.3 -1,-0.3 2,-0.1 3,-0.3 0.713 103.7 41.2 -63.0 -30.9 34.7 50.8 40.8 490 544 A N G X> S+ 0 0 15 -3,-3.2 3,-2.0 1,-0.2 4,-0.6 0.073 75.1 127.9-109.0 23.3 32.2 48.0 40.5 491 545 A K T <4 S+ 0 0 54 -3,-1.2 -1,-0.2 1,-0.3 -2,-0.1 0.616 78.4 38.3 -65.1 -12.0 29.7 49.4 43.0 492 546 A F T 34 S+ 0 0 55 -3,-0.3 -1,-0.3 2,-0.1 -340,-0.2 0.296 100.0 78.1-111.0 8.5 26.7 49.2 40.6 493 547 A S T <4 S- 0 0 2 -3,-2.0 -2,-0.1 -341,-0.1 2,-0.1 0.791 91.0-126.7 -85.6 -25.3 27.7 45.8 39.0 494 548 A G < - 0 0 20 -4,-0.6 -1,-0.1 3,-0.0 -2,-0.1 -0.090 40.1 -64.9 88.1 159.5 26.5 43.4 41.7 495 549 A Y > - 0 0 5 -2,-0.1 3,-2.1 1,-0.1 -91,-0.1 -0.299 63.4 -90.2 -71.9 167.1 28.9 40.7 43.1 496 550 A P T 3 S+ 0 0 11 0, 0.0 -303,-0.1 0, 0.0 -1,-0.1 0.857 125.8 41.5 -50.9 -37.0 30.0 38.0 40.6 497 551 A L T > S+ 0 0 0 -305,-0.3 3,-1.8 5,-0.1 6,-0.4 0.204 80.9 148.3 -99.3 15.4 27.1 35.5 41.3 498 552 A Y T < S- 0 0 33 -3,-2.1 -297,-0.1 1,-0.3 3,-0.1 -0.283 74.1 -6.5 -57.2 124.3 24.4 38.2 41.4 499 553 A H T 3 S+ 0 0 4 1,-0.2 -298,-2.4 -299,-0.2 -1,-0.3 0.744 106.5 117.3 62.6 27.0 21.1 36.8 40.1 500 554 A S S X S- 0 0 4 -3,-1.8 3,-1.3 -300,-0.2 -171,-0.2 -0.733 80.7-104.1-118.2 173.9 22.4 33.5 39.0 501 555 A V T 3 S+ 0 0 0 -2,-0.3 -172,-0.1 1,-0.2 -301,-0.1 0.662 111.9 70.3 -70.0 -14.3 21.6 29.9 40.1 502 556 A Y T 3 + 0 0 14 -5,-0.1 2,-1.6 -409,-0.1 -1,-0.2 0.614 64.6 105.1 -83.4 -9.5 24.9 29.8 42.0 503 557 A E < + 0 0 4 -3,-1.3 -172,-2.0 -6,-0.4 2,-0.2 -0.541 58.0 148.7 -68.4 93.6 23.8 32.2 44.8 504 558 A T > - 0 0 0 -2,-1.6 4,-1.5 -174,-0.2 5,-0.2 -0.729 67.8 -99.8-124.8 168.9 23.3 29.5 47.4 505 559 A Y H > S+ 0 0 24 -481,-0.4 4,-2.6 -2,-0.2 5,-0.2 0.919 123.2 54.2 -48.4 -46.7 23.4 28.9 51.1 506 560 A E H > S+ 0 0 44 1,-0.2 4,-2.8 2,-0.2 5,-0.5 0.849 101.8 59.5 -61.9 -35.3 26.9 27.3 50.5 507 561 A L H >>S+ 0 0 0 -5,-0.2 4,-2.2 2,-0.2 5,-0.9 0.947 113.1 36.1 -54.8 -51.1 28.1 30.4 48.8 508 562 A V H X>S+ 0 0 0 -4,-1.5 5,-2.5 3,-0.2 4,-1.3 0.961 120.0 47.1 -69.3 -54.6 27.5 32.5 51.8 509 563 A E H <5S+ 0 0 58 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.814 122.3 33.0 -58.3 -37.7 28.5 30.0 54.4 510 564 A K H <5S+ 0 0 113 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.859 134.5 18.0 -90.4 -36.6 31.8 28.9 52.7 511 565 A F H <5S+ 0 0 57 -4,-2.2 -3,-0.2 -5,-0.5 -2,-0.2 0.704 124.7 37.2-111.5 -25.4 32.9 32.2 51.1 512 566 A Y T < < + 0 0 0 -5,-2.5 3,-1.2 1,-0.1 -1,-0.1 -0.547 54.2 174.1-160.1 69.5 30.7 34.9 56.2 514 568 A P T 3 S+ 0 0 74 0, 0.0 -1,-0.1 0, 0.0 -5,-0.1 0.853 89.7 40.8 -52.7 -41.0 31.4 31.5 57.8 515 569 A M T 3 S- 0 0 152 -498,-0.0 -498,-0.1 1,-0.0 -6,-0.1 0.444 104.8-127.6 -85.8 -3.5 30.8 32.8 61.4 516 570 A F <> + 0 0 2 -3,-1.2 4,-1.9 -8,-0.1 -500,-0.1 0.731 69.3 132.6 60.6 23.9 27.8 34.9 60.3 517 571 A K H > + 0 0 60 2,-0.2 4,-2.6 1,-0.2 5,-0.1 0.841 66.8 51.3 -74.9 -34.0 29.5 37.9 62.0 518 572 A Y H > S+ 0 0 12 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.908 110.8 49.4 -70.9 -37.8 29.0 40.3 59.1 519 573 A H H > S+ 0 0 0 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.906 109.9 51.9 -63.3 -41.4 25.3 39.4 59.1 520 574 A L H X S+ 0 0 39 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.954 110.0 48.7 -62.0 -47.2 25.2 40.0 62.9 521 575 A T H X S+ 0 0 6 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.932 112.0 48.1 -54.5 -49.8 26.8 43.4 62.4 522 576 A V H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 5,-0.3 0.899 109.2 53.3 -60.9 -41.0 24.3 44.3 59.7 523 577 A A H X S+ 0 0 0 -4,-2.9 4,-3.1 1,-0.2 5,-0.3 0.869 108.8 50.9 -58.2 -39.8 21.4 43.1 61.9 524 578 A Q H X S+ 0 0 32 -4,-2.2 4,-1.6 3,-0.2 -1,-0.2 0.832 111.4 47.5 -65.5 -38.6 22.6 45.4 64.7 525 579 A V H X S+ 0 0 0 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.959 119.8 36.9 -69.9 -46.8 22.8 48.3 62.3 526 580 A R H X S+ 0 0 3 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.911 122.8 43.2 -77.4 -39.4 19.3 47.8 60.8 527 581 A G H X S+ 0 0 0 -4,-3.1 4,-3.5 -5,-0.3 -1,-0.2 0.893 112.5 54.5 -65.1 -41.9 17.7 46.7 64.1 528 582 A G H X S+ 0 0 0 -4,-1.6 4,-2.5 -5,-0.3 -2,-0.2 0.935 109.8 46.5 -61.1 -45.2 19.5 49.5 66.0 529 583 A M H X S+ 0 0 4 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.904 113.1 48.3 -60.6 -46.1 18.1 52.1 63.6 530 584 A V H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.949 111.2 51.9 -62.4 -46.5 14.7 50.7 63.8 531 585 A F H X S+ 0 0 5 -4,-3.5 4,-1.7 1,-0.2 5,-0.3 0.912 113.7 42.6 -51.1 -52.6 15.0 50.6 67.6 532 586 A E H X S+ 0 0 60 -4,-2.5 4,-2.5 2,-0.2 3,-0.2 0.922 114.8 49.4 -64.6 -46.6 16.0 54.3 67.8 533 587 A L H < S+ 0 0 0 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.894 118.6 41.2 -57.2 -39.3 13.5 55.5 65.3 534 588 A A H < S+ 0 0 1 -4,-2.5 -174,-2.3 -5,-0.2 -175,-0.4 0.675 127.6 26.6 -82.0 -22.3 10.8 53.6 67.2 535 589 A N H < S+ 0 0 45 -4,-1.7 -3,-0.2 -3,-0.2 -2,-0.2 0.664 84.7 107.9-123.8 -21.9 11.8 54.3 70.8 536 590 A S < - 0 0 27 -4,-2.5 -4,-0.0 -5,-0.3 -176,-0.0 -0.359 63.1-137.9 -62.3 138.2 13.6 57.7 71.0 537 591 A I S S+ 0 0 92 1,-0.1 2,-0.5 2,-0.1 -1,-0.1 0.954 96.7 38.7 -64.9 -50.2 11.6 60.4 72.6 538 592 A V S S- 0 0 43 71,-0.0 -1,-0.1 75,-0.0 -3,-0.1 -0.875 108.0-105.1 -95.7 132.6 12.7 63.0 70.1 539 593 A L - 0 0 6 -2,-0.5 2,-1.9 1,-0.1 -6,-0.1 -0.335 31.7-119.9 -52.6 138.5 12.9 61.5 66.6 540 594 A P S S+ 0 0 27 0, 0.0 2,-0.4 0, 0.0 -121,-0.3 -0.378 70.2 123.8 -87.7 60.2 16.7 61.1 65.8 541 595 A F - 0 0 9 -2,-1.9 2,-0.6 -123,-0.1 -125,-0.2 -0.964 47.0-155.5-120.2 138.9 16.7 63.3 62.8 542 596 A D >> - 0 0 29 -127,-1.2 3,-1.4 -2,-0.4 4,-0.7 -0.903 5.9-169.9-121.4 104.8 19.1 66.2 62.4 543 597 A C H 3> S+ 0 0 1 -2,-0.6 4,-1.7 1,-0.3 -1,-0.1 0.691 83.3 70.5 -65.3 -18.4 17.8 68.9 59.9 544 598 A R H 3> S+ 0 0 109 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.785 92.1 59.4 -68.9 -28.1 21.2 70.7 60.0 545 599 A D H <> S+ 0 0 35 -3,-1.4 4,-2.1 2,-0.2 -1,-0.2 0.861 102.3 51.9 -67.4 -36.3 22.6 67.7 58.0 546 600 A Y H X S+ 0 0 0 -4,-0.7 4,-2.7 2,-0.2 5,-0.2 0.934 106.5 55.1 -64.0 -44.4 20.1 68.5 55.3 547 601 A A H X S+ 0 0 5 -4,-1.7 4,-1.2 1,-0.2 -2,-0.2 0.918 108.1 49.2 -54.5 -44.7 21.3 72.1 55.3 548 602 A V H X S+ 0 0 72 -4,-1.9 4,-1.4 1,-0.2 3,-0.4 0.947 114.2 42.1 -61.5 -52.1 24.9 71.0 54.7 549 603 A V H X S+ 0 0 12 -4,-2.1 4,-2.9 1,-0.2 3,-0.3 0.921 106.4 62.2 -68.6 -33.7 24.2 68.7 51.8 550 604 A L H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.3 -1,-0.2 0.858 105.3 50.0 -53.8 -35.4 21.7 71.1 50.1 551 605 A R H X S+ 0 0 131 -4,-1.2 4,-2.3 -3,-0.4 -1,-0.3 0.847 108.8 49.3 -77.0 -37.9 24.6 73.5 49.8 552 606 A K H X S+ 0 0 88 -4,-1.4 4,-2.3 -3,-0.3 -2,-0.2 0.919 114.9 47.2 -59.8 -45.3 27.0 70.8 48.2 553 607 A Y H X S+ 0 0 20 -4,-2.9 4,-2.6 2,-0.2 5,-0.3 0.931 111.4 48.7 -65.2 -43.7 24.2 70.0 45.8 554 608 A A H X S+ 0 0 0 -4,-2.7 4,-2.3 -5,-0.2 -1,-0.2 0.936 112.6 49.0 -60.6 -47.2 23.5 73.6 44.9 555 609 A D H X S+ 0 0 59 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.892 112.6 50.4 -57.7 -39.7 27.3 74.1 44.4 556 610 A K H X S+ 0 0 96 -4,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.930 111.1 43.3 -69.1 -48.3 27.3 71.1 42.2 557 611 A I H X S+ 0 0 6 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.868 113.2 54.5 -66.9 -33.6 24.4 71.9 39.9 558 612 A Y H X S+ 0 0 94 -4,-2.3 4,-2.1 -5,-0.3 -2,-0.2 0.953 106.2 52.5 -62.5 -50.6 25.7 75.5 39.6 559 613 A S H < S+ 0 0 75 -4,-2.2 4,-0.3 1,-0.2 -1,-0.2 0.837 108.1 50.6 -49.2 -41.1 29.1 74.1 38.5 560 614 A I H >< S+ 0 0 42 -4,-1.5 3,-0.8 1,-0.2 -1,-0.2 0.862 110.2 49.4 -69.3 -35.4 27.4 72.0 35.8 561 615 A S H >< S+ 0 0 0 -4,-1.9 3,-1.9 1,-0.2 -2,-0.2 0.875 100.9 65.8 -71.7 -33.6 25.5 74.9 34.5 562 616 A M T 3< S+ 0 0 76 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.487 78.0 78.6 -73.9 -2.7 28.7 77.1 34.4 563 617 A K T < S+ 0 0 162 -3,-0.8 -1,-0.3 -4,-0.3 -2,-0.1 0.558 98.4 51.5 -71.3 -7.7 30.3 74.9 31.7 564 618 A H <> + 0 0 31 -3,-1.9 4,-2.0 1,-0.1 3,-0.3 -0.437 67.0 152.6-122.5 59.9 27.9 77.1 29.6 565 619 A P H > + 0 0 54 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.880 69.8 54.8 -60.7 -41.5 28.7 80.6 30.6 566 620 A Q H > S+ 0 0 116 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.898 111.1 45.2 -60.3 -39.8 27.7 82.4 27.4 567 621 A E H > S+ 0 0 67 -3,-0.3 4,-2.4 2,-0.2 6,-0.2 0.853 107.5 58.7 -71.3 -37.2 24.2 80.8 27.5 568 622 A M H <>S+ 0 0 19 -4,-2.0 5,-2.7 -7,-0.2 4,-0.4 0.911 111.2 42.8 -56.2 -39.1 23.8 81.7 31.2 569 623 A K H ><5S+ 0 0 139 -4,-2.0 3,-1.1 3,-0.2 -2,-0.2 0.951 114.2 48.1 -70.8 -51.7 24.4 85.3 30.3 570 624 A T H 3<5S+ 0 0 84 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.830 121.6 35.4 -60.8 -37.0 22.1 85.4 27.2 571 625 A Y T 3<5S- 0 0 64 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.369 107.6-121.2-101.5 9.4 19.2 83.7 28.9 572 626 A S T < 5 - 0 0 80 -3,-1.1 2,-0.9 -4,-0.4 -3,-0.2 0.924 39.0-174.2 52.5 51.2 19.8 85.3 32.4 573 627 A V < - 0 0 10 -5,-2.7 2,-0.5 -6,-0.2 -1,-0.2 -0.691 6.1-179.6 -84.0 109.9 20.2 82.0 34.0 574 628 A S - 0 0 56 -2,-0.9 3,-0.2 -3,-0.2 4,-0.2 -0.923 32.1-175.0-117.8 128.9 20.5 82.7 37.7 575 629 A F > + 0 0 6 -2,-0.5 4,-2.4 1,-0.1 3,-0.4 0.331 61.7 107.8 -93.2 5.1 20.9 80.3 40.7 576 630 A D H > S+ 0 0 125 1,-0.3 4,-2.0 2,-0.2 5,-0.2 0.854 76.5 51.7 -47.7 -47.2 20.5 83.3 43.2 577 631 A S H > S+ 0 0 56 -3,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.887 109.5 48.3 -63.2 -43.0 17.1 82.1 44.2 578 632 A L H > S+ 0 0 0 -3,-0.4 4,-2.4 1,-0.2 -2,-0.2 0.928 112.0 48.8 -67.5 -39.2 18.3 78.6 45.0 579 633 A F H X S+ 0 0 53 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.870 111.0 51.3 -64.2 -34.3 21.3 79.8 47.0 580 634 A S H X S+ 0 0 62 -4,-2.0 4,-2.7 -5,-0.2 -1,-0.2 0.897 109.3 50.3 -68.6 -41.5 19.1 82.2 49.0 581 635 A A H X S+ 0 0 3 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.930 111.0 48.5 -61.9 -45.1 16.7 79.3 49.8 582 636 A V H X S+ 0 0 2 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.846 111.5 51.0 -65.8 -33.7 19.6 77.1 50.9 583 637 A K H X S+ 0 0 126 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.937 111.2 46.8 -66.1 -48.7 20.8 79.9 53.1 584 638 A N H X S+ 0 0 45 -4,-2.7 4,-2.9 1,-0.2 5,-0.3 0.916 110.9 53.2 -59.5 -42.1 17.4 80.4 54.7 585 639 A F H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.897 108.1 50.7 -59.2 -40.5 17.1 76.7 55.2 586 640 A T H X S+ 0 0 63 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.939 113.7 45.1 -64.4 -43.4 20.5 76.7 57.0 587 641 A E H X S+ 0 0 95 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.937 115.2 44.6 -66.2 -49.2 19.4 79.5 59.2 588 642 A I H X S+ 0 0 21 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.855 111.3 54.5 -67.7 -35.7 16.0 78.2 60.1 589 643 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 -5,-0.3 -1,-0.2 0.891 108.5 48.0 -68.2 -39.1 17.3 74.7 60.7 590 644 A S H X S+ 0 0 52 -4,-1.9 4,-1.3 -5,-0.2 -2,-0.2 0.912 111.6 49.2 -74.9 -31.3 19.8 75.9 63.2 591 645 A K H X S+ 0 0 115 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.917 112.4 51.4 -62.9 -38.7 17.2 78.0 65.1 592 646 A F H X S+ 0 0 0 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.900 104.3 54.4 -65.0 -44.1 15.0 74.9 65.0 593 647 A S H X S+ 0 0 6 -4,-2.3 4,-0.8 1,-0.2 -1,-0.2 0.842 106.9 53.7 -57.7 -33.6 17.7 72.7 66.5 594 648 A E H >X S+ 0 0 120 -4,-1.3 4,-1.6 1,-0.2 3,-0.6 0.896 108.1 47.2 -68.5 -42.8 18.1 75.1 69.4 595 649 A R H 3< S+ 0 0 59 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.767 107.4 60.0 -69.3 -23.8 14.4 75.0 70.3 596 650 A L H 3< S+ 0 0 32 -4,-1.5 3,-0.3 1,-0.2 -1,-0.3 0.761 110.4 39.3 -78.0 -22.0 14.7 71.3 70.0 597 651 A Q H << S+ 0 0 137 -4,-0.8 -2,-0.2 -3,-0.6 -1,-0.2 0.771 114.3 56.8 -91.8 -21.0 17.2 71.2 72.8 598 652 A D < 0 0 137 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.049 360.0 360.0-105.8 21.0 15.5 73.9 74.8 599 653 A F 0 0 85 -3,-0.3 3,-0.4 -4,-0.2 -1,-0.2 0.465 360.0 360.0-124.0 360.0 11.9 72.6 75.4 600 ! 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 0.0 601 656 A S 0 0 152 0, 0.0 5,-0.0 0, 0.0 -2,-0.0 0.000 360.0 360.0 360.0 -85.9 7.9 67.3 79.4 602 657 A N > - 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0 0 102 -3,-1.7 -4,-0.0 -4,-0.2 -3,-0.0 -0.483 61.7-145.6 -63.9 136.3 19.0 71.0 22.0 664 719 A V S S+ 0 0 150 1,-0.3 -1,-0.1 -2,-0.2 -3,-0.0 0.837 92.7 46.2 -78.5 -33.0 17.8 72.5 18.7 665 720 A D > + 0 0 85 1,-0.1 4,-2.0 2,-0.0 -1,-0.3 -0.831 68.1 179.5-107.9 90.0 15.9 75.3 20.4 666 721 A P H > S+ 0 0 53 0, 0.0 4,-2.5 0, 0.0 5,-0.3 0.841 78.0 58.3 -63.6 -32.7 18.3 76.7 23.0 667 722 A S H > S+ 0 0 69 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.917 109.7 42.5 -61.7 -43.8 15.9 79.4 24.2 668 723 A K H > S+ 0 0 156 -3,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.860 114.1 52.4 -71.6 -35.3 13.2 76.9 25.1 669 724 A A H X S+ 0 0 12 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.896 112.9 43.2 -64.8 -44.2 15.9 74.5 26.7 670 725 A W H X S+ 0 0 5 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.815 108.7 59.0 -74.2 -29.3 17.3 77.2 29.0 671 726 A G H X S+ 0 0 37 -4,-1.7 4,-2.1 -5,-0.3 -1,-0.2 0.885 106.1 50.2 -61.5 -36.2 13.8 78.5 29.8 672 727 A E H X S+ 0 0 60 -4,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.867 106.6 52.8 -75.6 -35.4 13.2 75.0 31.1 673 728 A V H X S+ 0 0 0 -4,-1.6 4,-1.8 -17,-0.2 -2,-0.2 0.955 110.3 49.3 -55.9 -51.5 16.4 75.1 33.2 674 729 A K H X S+ 0 0 85 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.912 107.7 54.4 -56.5 -42.3 15.2 78.4 34.8 675 730 A R H X S+ 0 0 116 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.915 109.4 47.3 -60.1 -42.6 11.8 76.8 35.5 676 731 A Q H X S+ 0 0 8 -4,-1.9 4,-2.5 2,-0.2 -23,-0.2 0.815 107.5 55.4 -70.0 -30.5 13.5 74.0 37.4 677 732 A I H X S+ 0 0 3 -4,-1.8 4,-3.1 2,-0.2 -2,-0.2 0.930 109.9 48.7 -64.7 -41.8 15.7 76.4 39.4 678 733 A Y H X S+ 0 0 163 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.926 110.8 48.7 -63.8 -45.0 12.6 78.1 40.5 679 734 A V H X S+ 0 0 20 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.932 114.4 45.7 -60.4 -47.6 10.9 74.9 41.5 680 735 A A H X S+ 0 0 3 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.943 114.9 48.2 -65.3 -39.0 13.9 73.8 43.5 681 736 A A H X S+ 0 0 10 -4,-3.1 4,-2.1 1,-0.2 -2,-0.2 0.918 112.5 47.5 -65.3 -45.4 14.3 77.2 45.1 682 737 A F H X S+ 0 0 131 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.888 112.8 50.1 -64.3 -38.9 10.6 77.4 46.1 683 738 A T H X S+ 0 0 6 -4,-2.2 4,-2.5 -5,-0.2 -2,-0.2 0.912 109.3 48.8 -72.1 -41.0 10.7 73.8 47.5 684 739 A V H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.933 114.2 47.1 -58.9 -47.1 13.8 74.3 49.6 685 740 A Q H X S+ 0 0 45 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.948 112.8 49.6 -59.3 -47.8 12.3 77.6 51.1 686 741 A A H X S+ 0 0 31 -4,-2.7 4,-0.9 2,-0.2 -2,-0.2 0.883 111.2 48.2 -58.3 -44.3 8.9 75.8 51.7 687 742 A A H >< S+ 0 0 0 -4,-2.5 3,-1.1 1,-0.2 4,-0.4 0.943 110.6 52.6 -60.0 -52.1 10.6 72.9 53.4 688 743 A A H >< S+ 0 0 0 -4,-2.7 3,-1.5 1,-0.2 4,-0.3 0.842 104.9 56.2 -48.3 -39.8 12.6 75.4 55.6 689 744 A E H >< S+ 0 0 114 -4,-2.1 3,-0.8 1,-0.3 -1,-0.2 0.744 92.6 67.3 -77.6 -14.5 9.3 77.2 56.5 690 745 A T T << S+ 0 0 54 -3,-1.1 -1,-0.3 -4,-0.9 -2,-0.2 0.675 101.1 52.2 -70.4 -15.1 7.9 74.0 57.9 691 746 A L T < S+ 0 0 0 -3,-1.5 -1,-0.2 -4,-0.4 -2,-0.2 0.436 89.6 100.1 -99.2 -3.7 10.6 74.3 60.6 692 747 A S S < S- 0 0 37 -3,-0.8 2,-0.1 -4,-0.3 -3,-0.0 -0.240 98.1 -67.7 -65.8 166.5 9.8 77.9 61.6 693 748 A E - 0 0 138 1,-0.1 -1,-0.2 2,-0.1 -2,-0.1 -0.400 49.0-130.6 -51.3 133.4 7.7 78.6 64.6 694 749 A V 0 0 94 1,-0.1 -1,-0.1 -3,-0.1 -2,-0.1 0.731 360.0 360.0 -69.9 -22.4 4.3 77.2 63.8 695 750 A A 0 0 144 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.270 360.0 360.0-168.1 360.0 2.6 80.4 64.8