==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 30-NOV-09 2WZI . COMPND 2 MOLECULE: O-GLCNACASE BT_4395; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES THETAIOTAOMICRON VPI-5482; . AUTHOR Y.HE,G.J.DAVIES . 1276 12 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 53596.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 859 67.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 100 7.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 102 8.0 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 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.5 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 . 60 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 102 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 436 34.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 1.3 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 0 0 0 0 2 2 2 2 4 4 4 0 4 0 0 1 1 0 1 1 2 0 0 0 0 2 0 RESIDUES PER ALPHA HELIX . 0 4 0 12 2 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 PARALLEL BRIDGES PER LADDER . 4 1 2 5 6 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 ANTIPARALLEL BRIDGES PER LADDER . 0 2 0 2 0 2 0 2 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 4 A S 0 0 129 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 119.3 -36.2 -23.4 3.3 2 5 A L - 0 0 19 4,-0.1 96,-0.1 100,-0.0 100,-0.0 -0.960 360.0-132.6-129.8 131.5 -32.9 -22.9 1.4 3 6 A Q S S+ 0 0 12 -2,-0.4 378,-0.1 1,-0.2 98,-0.1 -0.989 100.0 26.6-130.1 121.8 -30.5 -19.9 1.2 4 7 A P S S- 0 0 0 0, 0.0 -1,-0.2 0, 0.0 377,-0.1 0.630 105.3-125.0 -66.5 151.6 -29.6 -19.2 -1.5 5 8 A P - 0 0 26 0, 0.0 383,-0.1 0, 0.0 -2,-0.1 -0.501 30.7-114.6 -65.0 133.2 -32.7 -20.6 -3.1 6 9 A P - 0 0 6 0, 0.0 109,-0.1 0, 0.0 3,-0.1 -0.316 15.7-116.7 -70.1 158.5 -31.7 -23.2 -5.8 7 10 A Q S S+ 0 0 43 1,-0.2 2,-0.4 109,-0.2 108,-0.2 0.864 101.6 17.4 -61.5 -40.3 -32.4 -22.7 -9.5 8 11 A Q E +A 114 0A 88 106,-1.5 106,-1.6 2,-0.0 2,-0.4 -0.993 68.1 175.2-139.7 136.1 -34.6 -25.7 -9.5 9 12 A L E -A 113 0A 80 -2,-0.4 2,-0.5 104,-0.2 104,-0.2 -0.991 8.9-175.5-142.4 123.7 -36.2 -27.6 -6.6 10 13 A I E -A 112 0A 75 102,-2.7 102,-2.5 -2,-0.4 2,-0.5 -0.981 10.9-165.2-119.7 115.7 -38.7 -30.5 -6.7 11 14 A V E -A 111 0A 73 -2,-0.5 100,-0.2 100,-0.2 -2,-0.0 -0.878 5.6-165.0-102.0 130.6 -40.0 -31.6 -3.2 12 15 A Q E - 0 0 92 98,-2.9 99,-0.1 -2,-0.5 -1,-0.1 0.624 32.8-122.8 -93.6 -15.0 -41.7 -35.0 -3.1 13 16 A N E S+ 0 0 149 97,-0.5 2,-0.3 1,-0.3 98,-0.1 0.867 72.8 111.9 70.4 38.3 -43.4 -34.8 0.2 14 17 A K E - 0 0 88 96,-0.3 96,-2.4 2,-0.0 2,-0.4 -0.951 59.2-133.2-130.6 152.3 -41.9 -37.9 1.8 15 18 A T E -A 109 0A 92 -2,-0.3 2,-0.4 94,-0.2 92,-0.0 -0.878 16.8-168.3-106.3 143.2 -39.4 -38.0 4.7 16 19 A I E -A 108 0A 11 92,-2.8 92,-3.2 -2,-0.4 2,-0.5 -0.958 20.7-125.7-123.4 142.9 -36.2 -40.1 4.7 17 20 A D E -A 107 0A 99 -2,-0.4 90,-0.2 90,-0.2 3,-0.1 -0.791 32.1-107.6 -85.4 133.1 -34.0 -40.8 7.7 18 21 A L - 0 0 36 88,-1.7 4,-0.0 -2,-0.5 -1,-0.0 -0.471 58.0 -95.9 -52.2 121.5 -30.4 -39.9 7.4 19 22 A P - 0 0 15 0, 0.0 24,-0.3 0, 0.0 -1,-0.1 -0.171 28.2-160.1 -57.7 133.1 -29.0 -43.5 7.2 20 23 A A S S+ 0 0 96 1,-0.2 2,-0.4 -3,-0.1 23,-0.1 0.873 94.5 31.8 -73.4 -45.5 -27.7 -45.3 10.4 21 24 A V S S+ 0 0 78 24,-0.1 26,-1.7 2,-0.0 2,-0.3 -0.944 85.3 169.5-104.3 135.5 -25.8 -47.6 8.1 22 25 A Y E -b 47 0A 67 -2,-0.4 2,-0.6 24,-0.3 26,-0.2 -0.993 31.5-138.4-144.4 153.4 -24.6 -46.1 4.8 23 26 A Q E -b 48 0A 101 24,-2.5 26,-2.8 -2,-0.3 2,-0.5 -0.950 23.0-145.6-111.0 113.9 -22.2 -47.0 2.0 24 27 A L E -b 49 0A 49 -2,-0.6 2,-0.5 24,-0.2 26,-0.2 -0.714 13.7-168.8 -87.3 130.4 -20.1 -44.1 0.8 25 28 A N E +b 50 0A 63 24,-3.1 26,-2.9 -2,-0.5 -2,-0.0 -0.965 69.7 8.8-121.5 114.5 -19.3 -44.0 -2.9 26 29 A G S >> S+ 0 0 17 -2,-0.5 4,-2.6 24,-0.2 3,-1.4 0.392 77.8 130.8 100.5 -0.3 -16.7 -41.6 -4.2 27 30 A G T 34 S+ 0 0 21 1,-0.3 8,-0.1 2,-0.2 -2,-0.1 0.780 73.6 52.4 -56.4 -29.6 -15.3 -40.4 -0.8 28 31 A E T 34 S+ 0 0 204 1,-0.1 -1,-0.3 7,-0.0 -3,-0.0 0.685 120.4 31.1 -81.4 -17.3 -11.7 -41.0 -2.0 29 32 A E T <4 S+ 0 0 121 -3,-1.4 -2,-0.2 22,-0.2 -1,-0.1 0.623 96.1 95.2-116.0 -21.9 -12.1 -39.0 -5.2 30 33 A A S < S- 0 0 4 -4,-2.6 22,-0.1 21,-0.2 59,-0.1 -0.277 97.9 -68.0 -68.4 157.8 -14.6 -36.2 -4.5 31 34 A N > - 0 0 2 1,-0.2 4,-2.4 58,-0.1 3,-0.4 -0.261 46.0-140.6 -39.0 121.9 -13.5 -32.7 -3.4 32 35 A P H > S+ 0 0 92 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.818 101.1 60.1 -64.5 -29.1 -12.0 -33.3 0.1 33 36 A H H > S+ 0 0 58 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.903 109.7 41.8 -63.6 -38.6 -13.7 -30.1 1.4 34 37 A A H > S+ 0 0 0 -3,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.913 112.2 53.7 -71.7 -46.9 -17.1 -31.6 0.4 35 38 A V H X S+ 0 0 10 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.902 105.2 56.1 -54.6 -43.0 -16.3 -35.0 1.8 36 39 A K H X S+ 0 0 122 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.937 107.7 46.6 -54.9 -53.6 -15.3 -33.4 5.1 37 40 A V H X S+ 0 0 24 -4,-1.4 4,-2.7 1,-0.2 -1,-0.2 0.931 112.6 51.8 -53.5 -48.8 -18.7 -31.7 5.5 38 41 A L H X S+ 0 0 0 -4,-2.4 4,-1.3 1,-0.2 -2,-0.2 0.932 109.7 46.6 -57.0 -51.9 -20.4 -35.0 4.6 39 42 A K H < S+ 0 0 119 -4,-2.7 -1,-0.2 2,-0.2 -2,-0.2 0.812 111.2 53.3 -63.4 -32.6 -18.6 -37.1 7.2 40 43 A E H < S+ 0 0 132 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.945 108.6 49.3 -66.3 -47.5 -19.2 -34.4 9.9 41 44 A L H < S+ 0 0 50 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.747 112.0 63.7 -58.7 -26.0 -22.9 -34.6 9.1 42 45 A L < 0 0 14 -4,-1.3 -22,-0.1 -5,-0.2 -3,-0.0 -0.269 360.0 360.0 -97.2-177.6 -22.8 -38.4 9.3 43 46 A S 0 0 147 -24,-0.3 -3,-0.1 -23,-0.1 -4,-0.0 -0.781 360.0 360.0-160.4 360.0 -21.9 -41.0 12.1 44 ! 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 45 53 A K 0 0 201 0, 0.0 -22,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -55.0 -24.1 -52.5 2.8 46 54 A G - 0 0 22 1,-0.2 -24,-0.3 -24,-0.1 2,-0.1 0.075 360.0 -42.3 -77.5-163.5 -26.2 -49.5 4.1 47 55 A M E S-b 22 0A 42 -26,-1.7 -24,-2.5 1,-0.1 2,-0.3 -0.436 70.5-110.1 -66.5 135.7 -28.0 -46.9 2.1 48 56 A L E -bc 23 81A 50 32,-0.8 34,-2.1 -26,-0.2 2,-0.5 -0.507 32.4-173.2 -73.0 128.8 -25.9 -45.7 -0.9 49 57 A I E -bc 24 82A 0 -26,-2.8 -24,-3.1 -2,-0.3 2,-0.5 -0.984 7.3-163.4-120.1 120.6 -24.5 -42.2 -0.7 50 58 A S E +bc 25 83A 0 32,-2.7 34,-3.0 -2,-0.5 2,-0.4 -0.901 11.5 174.4-110.5 123.6 -22.7 -41.1 -3.9 51 59 A I E + c 0 84A 0 -26,-2.9 2,-0.3 -2,-0.5 -21,-0.2 -0.989 23.6 96.3-128.2 136.1 -20.4 -38.0 -3.9 52 60 A G E - c 0 85A 0 32,-2.0 34,-2.1 -2,-0.4 2,-0.3 -0.978 63.2 -83.3 172.3 176.6 -18.2 -36.7 -6.7 53 61 A E E > - c 0 86A 15 -2,-0.3 3,-2.5 32,-0.2 6,-0.4 -0.758 63.5 -83.1 -98.7 156.0 -17.7 -34.3 -9.6 54 62 A K T 3 S+ 0 0 91 32,-2.0 6,-0.1 -2,-0.3 3,-0.1 -0.301 122.9 38.7 -56.5 135.5 -19.1 -35.2 -13.1 55 63 A G T 3 S+ 0 0 39 1,-0.5 -1,-0.3 -3,-0.0 2,-0.2 0.057 88.1 114.6 104.3 -31.6 -16.5 -37.6 -14.6 56 64 A D S X> S- 0 0 29 -3,-2.5 4,-1.6 1,-0.1 3,-0.9 -0.545 76.2-125.0 -64.0 139.9 -15.8 -39.3 -11.3 57 65 A K T 34 S+ 0 0 150 1,-0.2 4,-0.4 -2,-0.2 -1,-0.1 0.808 106.8 67.2 -55.8 -34.8 -17.0 -43.0 -11.5 58 66 A S T 34 S+ 0 0 7 1,-0.2 -1,-0.2 -7,-0.1 -6,-0.1 0.865 122.1 9.8 -52.4 -45.5 -19.1 -42.3 -8.4 59 67 A V T X4 S+ 0 0 0 -3,-0.9 3,-2.1 -6,-0.4 -1,-0.2 0.288 90.9 111.4-125.4 7.7 -21.5 -40.0 -10.1 60 68 A R G >< S+ 0 0 112 -4,-1.6 3,-2.1 1,-0.3 4,-0.2 0.870 74.8 62.4 -54.5 -42.4 -20.7 -40.3 -13.9 61 69 A K G 3 S+ 0 0 147 -4,-0.4 3,-0.3 1,-0.3 -1,-0.3 0.628 98.3 59.2 -58.5 -13.4 -24.1 -42.0 -14.6 62 70 A Y G X> + 0 0 27 -3,-2.1 3,-1.6 1,-0.2 4,-1.4 0.196 68.6 116.8 -99.5 13.0 -25.8 -38.8 -13.3 63 71 A S T <4 S+ 0 0 58 -3,-2.1 3,-0.2 1,-0.3 -1,-0.2 0.830 72.3 54.9 -50.4 -39.3 -24.1 -36.6 -16.0 64 72 A R T 34 S+ 0 0 227 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.748 108.9 48.7 -72.0 -22.2 -27.4 -35.7 -17.6 65 73 A Q T <4 S+ 0 0 60 -3,-1.6 -1,-0.2 2,-0.1 -2,-0.2 0.750 90.9 91.2 -82.3 -26.7 -28.7 -34.4 -14.2 66 74 A I S < S- 0 0 12 -4,-1.4 8,-0.1 -3,-0.2 20,-0.1 -0.585 84.9-117.2 -76.7 120.9 -25.7 -32.2 -13.4 67 75 A P - 0 0 15 0, 0.0 2,-1.9 0, 0.0 5,-0.2 -0.298 16.5-126.3 -62.3 140.2 -26.1 -28.7 -14.7 68 76 A D S S+ 0 0 137 -4,-0.1 2,-0.3 48,-0.0 48,-0.0 -0.510 75.7 106.9 -84.7 66.4 -23.5 -27.7 -17.3 69 77 A H S > S- 0 0 85 -2,-1.9 3,-2.1 46,-0.1 18,-0.2 -0.994 80.1 -98.6-145.2 135.4 -22.5 -24.6 -15.3 70 78 A K T 3 S+ 0 0 138 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 -0.381 113.7 13.3 -51.2 136.5 -19.4 -23.7 -13.2 71 79 A E T 3 S+ 0 0 4 1,-0.2 -1,-0.3 45,-0.1 2,-0.1 0.517 100.7 139.7 66.9 6.8 -20.1 -24.3 -9.5 72 80 A G < + 0 0 0 -3,-2.1 15,-3.2 -5,-0.2 16,-0.6 -0.316 27.5 179.4 -69.8 158.7 -23.3 -26.2 -10.5 73 81 A Y E -DE 86 115A 0 42,-2.3 42,-2.2 13,-0.3 2,-0.4 -0.991 27.2-135.6-154.5 165.4 -24.5 -29.4 -8.9 74 82 A Y E -DE 85 114A 12 11,-2.3 11,-2.6 -2,-0.3 2,-0.4 -0.997 22.7-173.6-121.2 129.3 -27.2 -32.0 -8.8 75 83 A L E +DE 84 113A 0 38,-2.6 38,-3.0 -2,-0.4 2,-0.4 -0.988 5.8 175.1-122.6 135.4 -28.6 -33.1 -5.4 76 84 A S E +DE 83 112A 3 7,-2.2 7,-2.8 -2,-0.4 2,-0.4 -0.994 10.4 179.7-143.2 133.4 -31.0 -36.0 -4.9 77 85 A V E +DE 82 111A 1 34,-2.4 34,-1.2 -2,-0.4 2,-0.3 -0.998 20.2 144.7-129.3 125.7 -32.5 -37.7 -1.9 78 86 A N - 0 0 32 3,-1.8 3,-0.1 -2,-0.4 -2,-0.0 -0.899 63.7 -83.2-145.6-179.6 -35.0 -40.6 -2.1 79 87 A E S S+ 0 0 127 -2,-0.3 3,-0.1 1,-0.2 -62,-0.1 0.673 124.8 39.2 -61.3 -21.8 -35.8 -43.7 -0.2 80 88 A K S S- 0 0 142 1,-0.3 -32,-0.8 -33,-0.1 2,-0.3 0.779 121.7 -5.0-100.8 -30.4 -33.0 -45.7 -1.9 81 89 A E E -c 48 0A 25 -34,-0.1 -3,-1.8 -3,-0.1 2,-0.4 -0.996 47.9-130.2-161.1 162.2 -30.0 -43.3 -2.2 82 90 A I E -cD 49 77A 0 -34,-2.1 -32,-2.7 -2,-0.3 2,-0.4 -0.960 22.7-163.5-112.9 134.7 -28.5 -39.9 -1.9 83 91 A V E +cD 50 76A 2 -7,-2.8 -7,-2.2 -2,-0.4 2,-0.4 -0.980 12.1 177.3-121.4 131.0 -26.6 -38.2 -4.7 84 92 A L E +cD 51 75A 0 -34,-3.0 -32,-2.0 -2,-0.4 2,-0.5 -0.860 18.3 163.0-132.5 96.4 -24.2 -35.3 -4.3 85 93 A A E -cD 52 74A 0 -11,-2.6 -11,-2.3 -2,-0.4 -32,-0.2 -0.919 19.1-161.8-129.9 110.0 -22.7 -34.4 -7.7 86 94 A G E -cD 53 73A 0 -34,-2.1 -32,-2.0 -2,-0.5 -13,-0.3 -0.510 27.2-134.7 -86.5 152.7 -20.9 -31.2 -8.6 87 95 A N S S- 0 0 15 -15,-3.2 2,-0.3 -34,-0.2 -1,-0.1 0.812 98.7 -6.9 -61.4 -28.4 -20.2 -30.0 -12.1 88 96 A D S > S- 0 0 39 -16,-0.6 4,-1.8 -35,-0.1 5,-0.2 -0.832 96.4 -75.6-158.0 178.6 -16.8 -29.3 -10.6 89 97 A E H > S+ 0 0 106 -2,-0.3 4,-1.8 1,-0.2 5,-0.2 0.901 129.5 48.9 -60.3 -43.8 -15.1 -29.4 -7.1 90 98 A R H > S+ 0 0 33 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.890 107.7 56.9 -62.3 -36.7 -16.8 -26.2 -5.9 91 99 A G H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.882 104.9 51.0 -60.7 -40.5 -20.1 -27.6 -7.1 92 100 A T H X S+ 0 0 0 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.905 110.0 50.1 -62.5 -42.4 -19.8 -30.7 -5.0 93 101 A Y H X S+ 0 0 7 -4,-1.8 4,-1.6 1,-0.2 -2,-0.2 0.907 110.7 49.7 -62.6 -40.9 -19.0 -28.4 -2.0 94 102 A Y H X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.868 103.7 57.9 -68.5 -35.9 -22.1 -26.4 -2.7 95 103 A A H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.919 107.4 50.9 -54.6 -44.6 -24.2 -29.5 -3.0 96 104 A L H X S+ 0 0 0 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.852 104.7 54.4 -65.0 -34.3 -23.1 -30.2 0.6 97 105 A Q H X S+ 0 0 13 -4,-1.6 4,-0.9 2,-0.2 -1,-0.2 0.842 112.5 44.5 -68.8 -32.2 -24.0 -26.7 1.8 98 106 A T H >X S+ 0 0 0 -4,-1.8 4,-1.6 2,-0.2 3,-0.6 0.928 111.0 53.8 -72.2 -45.4 -27.5 -27.3 0.5 99 107 A F H 3X S+ 0 0 0 -4,-2.8 4,-1.5 1,-0.2 -2,-0.2 0.860 103.5 57.6 -52.6 -40.5 -27.7 -30.8 1.9 100 108 A A H 3< S+ 0 0 30 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.853 107.1 47.5 -63.5 -36.4 -26.7 -29.4 5.3 101 109 A Q H << S+ 0 0 44 -4,-0.9 -1,-0.2 -3,-0.6 -2,-0.2 0.760 107.1 56.6 -74.1 -29.7 -29.8 -27.1 5.3 102 110 A L H < S+ 0 0 18 -4,-1.6 2,-0.4 -3,-0.1 -2,-0.2 0.839 89.3 92.1 -66.3 -34.2 -32.2 -29.9 4.2 103 111 A L < + 0 0 35 -4,-1.5 2,-0.3 -5,-0.2 5,-0.2 -0.487 51.1 161.4 -75.1 120.6 -31.1 -31.9 7.2 104 112 A K B > -F 107 0A 134 3,-2.6 3,-1.5 -2,-0.4 -3,-0.0 -0.982 65.1 -13.4-144.8 128.2 -33.4 -31.4 10.3 105 113 A D T 3 S- 0 0 166 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.808 127.4 -53.5 50.3 38.9 -33.8 -33.5 13.4 106 114 A G T 3 S+ 0 0 42 1,-0.2 -88,-1.7 -89,-0.1 2,-0.3 0.633 119.2 107.3 77.4 17.2 -32.0 -36.4 11.8 107 115 A K E < -AF 17 104A 99 -3,-1.5 -3,-2.6 -90,-0.2 -1,-0.2 -0.921 49.1-160.8-135.7 154.1 -34.3 -36.3 8.8 108 116 A L E -A 16 0A 3 -92,-3.2 -92,-2.8 -2,-0.3 2,-0.2 -0.937 21.5-120.1-131.1 146.9 -34.4 -35.3 5.1 109 117 A P E -A 15 0A 37 0, 0.0 2,-0.6 0, 0.0 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143.2 -36.7 2.3 8.6 432 440 A S S > S+ 0 0 0 -17,-2.3 4,-0.7 -2,-0.3 3,-0.4 0.764 71.5 155.0 55.6 30.9 -39.5 1.7 11.1 433 441 A M T >4 + 0 0 74 1,-0.2 3,-0.5 -18,-0.2 -1,-0.1 0.835 61.3 64.1 -64.6 -30.2 -42.0 1.6 8.2 434 442 A D T 34 S+ 0 0 91 1,-0.2 4,-0.3 2,-0.1 -1,-0.2 0.934 112.0 32.6 -55.0 -52.4 -44.5 -0.6 10.2 435 443 A I T 3> S+ 0 0 12 -3,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.457 92.7 97.2 -87.8 -1.5 -45.2 2.0 12.8 436 444 A Q H S+ 0 0 66 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.902 111.7 46.7 -70.8 -41.2 -48.5 5.5 9.9 438 446 A A H > S+ 0 0 5 -4,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.908 114.5 50.6 -62.8 -40.3 -49.5 5.4 13.6 439 447 A A H X S+ 0 0 6 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.958 112.2 43.1 -60.0 -56.4 -46.6 7.9 14.2 440 448 A E H X S+ 0 0 137 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.884 116.1 49.4 -61.3 -40.3 -47.6 10.4 11.5 441 449 A R H X S+ 0 0 131 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.895 111.6 49.0 -60.1 -44.3 -51.3 10.2 12.5 442 450 A F H X S+ 0 0 1 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.919 114.6 43.7 -64.8 -46.3 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-89.0 158.8 -55.5 11.0 18.6 453 461 A D >> - 0 0 98 -2,-0.2 4,-1.9 1,-0.1 3,-0.9 -0.654 21.3-136.9 -78.2 128.9 -56.7 7.4 18.1 454 462 A K H 3> S+ 0 0 143 -2,-0.4 4,-2.9 1,-0.3 5,-0.2 0.874 104.7 61.0 -47.9 -41.7 -56.2 5.2 21.2 455 463 A A H 3> S+ 0 0 45 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.886 103.7 47.2 -54.0 -45.4 -55.0 2.5 18.8 456 464 A D H <> S+ 0 0 8 -3,-0.9 4,-2.2 2,-0.2 -1,-0.2 0.908 112.3 50.0 -65.8 -44.5 -52.1 4.7 17.5 457 465 A F H X S+ 0 0 9 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.925 112.9 46.6 -56.0 -49.4 -51.1 5.6 21.0 458 466 A E H X S+ 0 0 82 -4,-2.9 4,-3.0 2,-0.2 -2,-0.2 0.873 108.0 57.2 -61.7 -38.8 -51.1 1.9 22.0 459 467 A T H X S+ 0 0 53 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.2 0.925 109.4 45.2 -57.5 -46.6 -49.1 1.0 18.9 460 468 A L H X S+ 0 0 1 -4,-2.2 4,-2.3 2,-0.2 5,-0.2 0.958 112.8 50.7 -62.3 -50.1 -46.4 3.4 20.0 461 469 A Q H X S+ 0 0 79 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.886 109.7 50.8 -48.1 -51.9 -46.5 2.0 23.6 462 470 A Y H X S+ 0 0 116 -4,-3.0 4,-2.6 2,-0.2 -1,-0.2 0.882 108.9 52.0 -53.8 -46.0 -46.2 -1.6 22.2 463 471 A T H X S+ 0 0 8 -4,-1.9 4,-3.1 2,-0.2 -2,-0.2 0.935 110.3 46.1 -61.5 -48.7 -43.2 -0.6 20.2 464 472 A F H X S+ 0 0 3 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.897 112.5 52.0 -64.3 -38.7 -41.3 1.0 23.1 465 473 A E H X S+ 0 0 19 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.937 112.6 44.9 -58.8 -48.4 -42.1 -2.0 25.2 466 474 A R H X S+ 0 0 27 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.885 109.1 56.1 -66.4 -40.3 -40.8 -4.3 22.5 467 475 A M H X S+ 0 0 0 -4,-3.1 4,-3.1 2,-0.2 -1,-0.2 0.922 108.8 47.5 -54.3 -45.7 -37.7 -2.2 22.0 468 476 A K H X S+ 0 0 4 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.918 111.9 49.3 -67.0 -44.0 -36.8 -2.5 25.8 469 477 A E H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 5,-0.2 0.947 114.2 46.8 -54.0 -49.4 -37.4 -6.3 25.8 470 478 A S H X S+ 0 0 0 -4,-2.8 4,-2.7 2,-0.2 -2,-0.2 0.933 111.4 49.8 -63.3 -48.9 -35.2 -6.5 22.7 471 479 A A H X S+ 0 0 0 -4,-3.1 4,-2.5 1,-0.2 5,-0.2 0.957 113.4 45.4 -54.7 -51.9 -32.4 -4.3 24.0 472 480 A D H X S+ 0 0 0 -4,-2.4 4,-1.0 1,-0.2 -1,-0.2 0.844 114.8 47.3 -64.4 -35.7 -32.1 -6.2 27.4 473 481 A I H < S+ 0 0 23 -4,-2.0 4,-0.4 -5,-0.2 3,-0.2 0.912 112.4 49.9 -73.5 -39.4 -32.2 -9.6 25.7 474 482 A L H >< S+ 0 0 0 -4,-2.7 3,-2.0 -5,-0.2 -2,-0.2 0.955 105.3 57.5 -62.0 -45.8 -29.6 -8.7 23.1 475 483 A L H 3< S+ 0 0 26 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.834 114.0 38.0 -54.1 -37.5 -27.2 -7.2 25.8 476 484 A M T 3< S+ 0 0 39 -4,-1.0 2,-0.3 -3,-0.2 -1,-0.3 0.311 85.3 123.6-102.3 8.6 -27.0 -10.5 27.6 477 485 A N < - 0 0 21 -3,-2.0 7,-0.1 -4,-0.4 -3,-0.0 -0.569 33.6-178.8 -73.0 129.9 -27.1 -12.9 24.7 478 486 A T + 0 0 88 -2,-0.3 3,-0.4 1,-0.1 -1,-0.1 0.145 61.6 88.0-113.5 15.9 -24.1 -15.2 24.7 479 487 A E S S+ 0 0 96 1,-0.3 2,-0.3 2,-0.1 -1,-0.1 0.886 108.6 16.7 -82.1 -44.0 -24.7 -17.2 21.4 480 488 A N S > S+ 0 0 19 1,-0.1 4,-2.0 2,-0.0 -1,-0.3 -0.697 73.8 170.5-124.5 81.7 -22.9 -14.6 19.3 481 489 A K H > S+ 0 0 126 -3,-0.4 4,-2.6 -2,-0.3 5,-0.2 0.883 75.7 57.2 -59.7 -39.8 -20.8 -12.6 21.7 482 490 A P H > S+ 0 0 73 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.918 106.9 48.4 -64.2 -35.8 -18.8 -10.8 19.0 483 491 A L H > S+ 0 0 4 -3,-0.2 4,-2.3 2,-0.2 5,-0.2 0.948 111.5 50.5 -61.9 -45.3 -22.0 -9.5 17.4 484 492 A I H X S+ 0 0 11 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.893 108.1 52.9 -64.4 -38.6 -23.2 -8.3 20.9 485 493 A V H < S+ 0 0 110 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.910 109.9 48.9 -58.9 -46.1 -19.9 -6.6 21.5 486 494 A E H < S+ 0 0 32 -4,-2.1 4,-0.3 1,-0.2 -2,-0.2 0.908 120.2 35.1 -58.2 -46.6 -20.2 -4.7 18.2 487 495 A I H >X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 3,-0.6 0.617 86.6 100.0 -91.2 -10.6 -23.8 -3.5 18.8 488 496 A T H 3X S+ 0 0 37 -4,-1.8 4,-2.7 1,-0.2 5,-0.2 0.846 81.2 51.0 -48.9 -48.0 -23.8 -2.9 22.6 489 497 A P H 3> S+ 0 0 27 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.930 115.0 44.4 -57.4 -43.3 -23.4 0.9 22.5 490 498 A W H <> S+ 0 0 4 -3,-0.6 4,-2.4 -4,-0.3 -2,-0.2 0.868 110.6 56.2 -65.1 -38.0 -26.3 1.2 20.0 491 499 A V H X S+ 0 0 1 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.927 107.6 46.8 -60.6 -42.8 -28.2 -1.3 22.1 492 500 A H H X S+ 0 0 85 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.905 114.8 47.7 -63.7 -42.1 -27.9 1.0 25.2 493 501 A Q H X S+ 0 0 7 -4,-2.0 4,-2.0 -5,-0.2 -1,-0.2 0.818 109.0 53.7 -67.7 -35.3 -28.9 4.0 23.2 494 502 A F H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.869 108.9 49.9 -65.4 -42.5 -31.9 2.1 21.6 495 503 A K H X S+ 0 0 17 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.905 109.6 49.2 -64.1 -44.3 -33.1 1.3 25.2 496 504 A L H X S+ 0 0 11 -4,-2.0 4,-2.9 2,-0.2 -2,-0.2 0.903 109.1 54.6 -60.9 -40.9 -32.8 4.9 26.3 497 505 A T H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.952 109.4 46.8 -56.6 -49.8 -34.8 5.8 23.2 498 506 A A H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.935 113.0 47.9 -60.3 -47.1 -37.6 3.4 24.2 499 507 A E H X S+ 0 0 5 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.914 110.8 51.9 -61.3 -42.3 -37.7 4.6 27.8 500 508 A M H X S+ 0 0 1 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.936 108.6 51.3 -58.0 -46.6 -37.8 8.2 26.7 501 509 A G H X S+ 0 0 1 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.920 109.5 50.7 -52.9 -50.1 -40.7 7.3 24.3 502 510 A E H X S+ 0 0 26 -4,-2.6 4,-1.4 1,-0.2 -1,-0.2 0.882 112.0 45.9 -55.2 -43.5 -42.6 5.7 27.3 503 511 A E H X S+ 0 0 3 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.874 110.2 52.5 -73.3 -36.7 -42.1 8.7 29.5 504 512 A V H X S+ 0 0 2 -4,-2.6 4,-2.0 1,-0.2 3,-0.3 0.928 108.0 52.6 -63.0 -43.6 -43.1 11.2 26.8 505 513 A L H X S+ 0 0 6 -4,-2.3 4,-1.3 1,-0.2 -1,-0.2 0.859 107.1 52.5 -58.8 -35.6 -46.3 9.2 26.2 506 514 A K H X S+ 0 0 53 -4,-1.4 4,-2.7 1,-0.2 5,-0.3 0.803 106.4 54.1 -71.0 -29.1 -47.0 9.4 30.0 507 515 A M H < S+ 0 0 2 -4,-1.4 -2,-0.2 -3,-0.3 -1,-0.2 0.880 100.8 59.7 -67.7 -41.4 -46.6 13.2 29.7 508 516 A V H < S+ 0 0 24 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.889 114.7 35.3 -54.7 -43.7 -49.2 13.3 26.9 509 517 A E H < S+ 0 0 79 -4,-1.3 -2,-0.2 7,-0.0 -1,-0.2 0.931 87.0 174.4 -75.3 -49.4 -51.8 11.8 29.3 510 518 A G < - 0 0 19 -4,-2.7 6,-0.2 -5,-0.2 -3,-0.1 0.873 23.0-154.2 43.5 64.2 -50.4 13.7 32.3 511 519 A R - 0 0 144 -5,-0.3 2,-0.3 4,-0.1 -1,-0.1 0.748 69.4 -18.0 -31.9 -43.1 -52.9 12.8 35.1 512 520 A N S > S- 0 0 85 1,-0.1 4,-2.5 0, 0.0 5,-0.1 -0.946 75.8 -85.5-159.7 178.1 -52.0 16.0 36.9 513 521 A E H > S+ 0 0 106 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 0.908 122.2 46.4 -60.1 -48.1 -49.4 18.8 37.3 514 522 A S H > S+ 0 0 80 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.901 113.2 48.3 -64.2 -44.1 -47.1 17.0 39.7 515 523 A Y H > S+ 0 0 22 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.909 109.5 54.9 -65.1 -40.2 -47.1 13.7 37.7 516 524 A F H X S+ 0 0 10 -4,-2.5 4,-3.2 1,-0.2 -2,-0.2 0.934 108.2 47.4 -56.1 -49.0 -46.4 15.7 34.5 517 525 A L H X S+ 0 0 42 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.849 109.1 54.1 -64.7 -38.2 -43.3 17.3 36.1 518 526 A R H X S+ 0 0 40 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.934 112.5 44.1 -56.0 -49.9 -42.0 13.9 37.4 519 527 A K H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.938 113.0 52.0 -62.1 -45.7 -42.3 12.6 33.8 520 528 A Y H X S+ 0 0 17 -4,-3.2 4,-2.4 1,-0.2 -2,-0.2 0.882 110.5 47.2 -56.4 -43.8 -40.7 15.7 32.4 521 529 A N H X S+ 0 0 68 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.863 110.3 52.5 -71.2 -36.0 -37.7 15.5 34.8 522 530 A H H X S+ 0 0 1 -4,-2.0 4,-2.0 -5,-0.2 -1,-0.2 0.923 109.3 50.2 -62.7 -43.7 -37.2 11.8 34.0 523 531 A V H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.937 107.7 52.2 -59.9 -49.8 -37.2 12.7 30.3 524 532 A K H X S+ 0 0 34 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.879 110.2 50.4 -50.3 -42.6 -34.5 15.4 30.9 525 533 A A H X S+ 0 0 2 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.861 109.2 49.8 -65.6 -38.1 -32.4 12.8 32.7 526 534 A L H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.874 108.0 53.8 -68.9 -36.5 -32.8 10.3 29.9 527 535 A Q H X S+ 0 0 7 -4,-2.4 4,-2.3 2,-0.2 55,-0.3 0.918 109.0 49.8 -61.0 -42.7 -31.7 13.0 27.3 528 536 A Q H X S+ 0 0 42 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.921 109.3 51.1 -61.1 -43.1 -28.6 13.6 29.5 529 537 A Q H X S+ 0 0 24 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.885 108.8 50.7 -63.0 -39.6 -27.9 9.9 29.5 530 538 A M H X S+ 0 0 19 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.880 109.2 52.1 -64.8 -40.3 -28.2 9.7 25.7 531 539 A F H X S+ 0 0 41 -4,-2.3 4,-1.4 2,-0.2 -2,-0.2 0.946 107.4 52.6 -57.3 -47.6 -25.8 12.6 25.4 532 540 A Y H X S+ 0 0 144 -4,-2.5 4,-1.1 2,-0.2 3,-0.4 0.909 111.1 45.6 -58.1 -46.2 -23.3 10.8 27.7 533 541 A I H >X S+ 0 0 21 -4,-2.2 4,-2.7 1,-0.2 3,-1.0 0.956 111.0 54.0 -59.2 -46.8 -23.4 7.7 25.5 534 542 A D H 3< S+ 0 0 22 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.696 115.1 40.7 -64.2 -18.9 -23.1 9.8 22.3 535 543 A Q H 3< S+ 0 0 22 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.543 122.3 36.3-103.2 -11.5 -19.9 11.5 23.8 536 544 A T H << S+ 0 0 75 -4,-1.1 3,-0.3 -3,-1.0 2,-0.3 0.618 105.0 69.6-119.8 -18.2 -18.2 8.5 25.3 537 545 A S S < S+ 0 0 31 -4,-2.7 8,-0.7 -5,-0.2 3,-0.1 -0.756 106.5 2.6-100.7 150.0 -19.0 5.6 22.8 538 546 A N S S- 0 0 39 -2,-0.3 2,-2.0 1,-0.2 7,-1.9 0.872 72.2-178.7 50.9 48.9 -17.6 5.2 19.3 539 547 A Q + 0 0 78 -3,-0.3 -1,-0.2 5,-0.2 -4,-0.0 -0.432 17.1 157.3 -84.3 66.7 -15.4 8.3 19.6 540 548 A N - 0 0 21 -2,-2.0 55,-0.1 3,-0.2 -3,-0.0 -0.452 53.0-111.9 -85.8 163.6 -14.0 8.2 16.0 541 549 A P S S+ 0 0 89 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.650 105.4 40.1 -71.4 -12.9 -12.7 11.3 14.3 542 550 A Y S S+ 0 0 148 1,-0.1 -3,-0.0 -206,-0.0 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46.0 -61.6 -50.4 -29.0 13.4 68.2 1029 391 B A H < S+ 0 0 0 -4,-3.1 -264,-0.7 1,-0.2 -265,-0.4 0.840 115.3 46.6 -67.2 -33.7 -25.8 14.1 70.2 1030 392 B W H < S+ 0 0 0 -4,-1.8 -266,-2.2 -5,-0.3 -1,-0.2 0.935 135.2 7.7 -73.8 -48.3 -26.5 17.9 70.5 1031 393 B N >< + 0 0 0 -4,-2.2 3,-0.6 -5,-0.2 -1,-0.2 -0.637 67.3 162.8-134.5 76.5 -30.2 17.6 71.5 1032 394 B P G > S+ 0 0 5 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 0.887 73.6 64.1 -64.5 -36.8 -31.2 14.0 72.2 1033 395 B A G 3 S+ 0 0 83 1,-0.3 -35,-0.1 -5,-0.1 -5,-0.1 0.851 113.2 35.1 -52.2 -37.9 -34.4 15.0 74.1 1034 396 B K G < S+ 0 0 100 -3,-0.6 -1,-0.3 -7,-0.1 2,-0.1 0.243 85.2 144.1-100.2 11.7 -35.7 16.5 70.9 1035 397 B Y < - 0 0 27 -3,-2.0 2,-0.6 -7,-0.2 -37,-0.1 -0.336 29.9-167.7 -64.6 123.9 -34.2 14.0 68.5 1036 398 B D > - 0 0 88 1,-0.2 4,-2.1 -2,-0.1 5,-0.3 -0.925 4.9-161.8-117.9 102.0 -36.6 13.3 65.6 1037 399 B T H > S+ 0 0 37 -2,-0.6 4,-1.8 1,-0.2 -44,-0.3 0.919 84.1 31.6 -50.9 -62.0 -35.5 10.3 63.6 1038 400 B W H > S+ 0 0 122 2,-0.2 4,-2.4 1,-0.2 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-4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.876 135.2 14.7 -72.8 -38.0 -26.9 17.0 51.0 1049 411 B L >< + 0 0 0 -4,-2.8 3,-1.9 -5,-0.2 7,-0.2 -0.405 65.0 161.0-141.4 64.6 -28.9 17.0 47.7 1050 412 B P G > S+ 0 0 67 0, 0.0 3,-0.6 0, 0.0 4,-0.2 0.773 76.8 59.5 -58.3 -32.1 -31.4 19.9 47.5 1051 413 B S G 3 S+ 0 0 70 1,-0.2 -5,-0.1 2,-0.1 -2,-0.0 0.661 125.9 16.8 -71.6 -15.1 -31.7 19.6 43.7 1052 414 B A G <> S+ 0 0 1 -3,-1.9 4,-2.5 -7,-0.2 -1,-0.2 -0.077 77.7 139.2-150.4 42.2 -32.9 16.0 44.0 1053 415 B A H <> S+ 0 0 3 -3,-0.6 4,-3.1 2,-0.2 5,-0.2 0.922 76.5 47.5 -59.1 -48.1 -34.0 15.4 47.6 1054 416 B E H > S+ 0 0 118 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.924 112.8 50.5 -63.3 -41.5 -37.2 13.4 46.8 1055 417 B E H > S+ 0 0 26 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.908 112.6 45.8 -60.7 -45.2 -35.2 11.2 44.4 1056 418 B L H X S+ 0 0 2 -4,-2.5 4,-3.4 -7,-0.2 -2,-0.2 0.876 109.9 54.9 -68.7 -35.6 -32.5 10.6 47.0 1057 419 B E H X S+ 0 0 29 -4,-3.1 4,-2.9 2,-0.2 -2,-0.2 0.925 108.6 49.1 -56.6 -47.0 -35.1 9.9 49.7 1058 420 B C H X S+ 0 0 13 -4,-2.5 4,-1.0 2,-0.2 -2,-0.2 0.948 114.9 43.7 -58.1 -51.3 -36.6 7.2 47.4 1059 421 B F H >< S+ 0 0 0 -4,-2.2 3,-0.6 1,-0.2 -2,-0.2 0.934 116.0 48.4 -60.2 -48.0 -33.2 5.7 46.8 1060 422 B A H >< S+ 0 0 0 -4,-3.4 3,-1.8 1,-0.2 -70,-0.3 0.877 103.6 59.0 -61.3 -40.7 -32.3 5.9 50.5 1061 423 B M H 3< S+ 0 0 42 -4,-2.9 17,-2.1 1,-0.3 18,-0.2 0.786 111.3 42.5 -63.1 -26.0 -35.5 4.4 51.9 1062 424 B H T << S+ 0 0 4 -4,-1.0 133,-1.5 -3,-0.6 -1,-0.3 0.201 109.5 59.7-105.6 14.9 -34.9 1.2 49.9 1063 425 B N S < S+ 0 0 3 -3,-1.8 -73,-2.9 131,-0.2 -1,-0.2 -0.606 76.5 95.4-139.3 73.6 -31.2 1.0 50.8 1064 426 B S + 0 0 4 -75,-0.3 -73,-0.2 -74,-0.2 13,-0.1 0.579 57.4 82.3-135.0 -38.3 -31.1 0.8 54.6 1065 427 B D - 0 0 1 1,-0.1 131,-0.1 9,-0.1 -77,-0.1 -0.407 60.5-145.6 -82.6 162.8 -30.9 -2.8 55.8 1066 428 B L - 0 0 1 7,-0.2 -80,-0.1 1,-0.2 -1,-0.1 0.577 34.0-134.9-100.5 -12.3 -27.7 -4.8 56.1 1067 429 B G - 0 0 4 8,-0.2 -1,-0.2 2,-0.1 6,-0.1 -0.045 57.3 -27.9 66.7 175.0 -29.1 -8.2 55.1 1068 430 B P S S+ 0 0 116 0, 0.0 2,-0.3 0, 0.0 6,-0.0 -0.223 77.7 161.6 -57.3 143.1 -28.0 -11.2 57.3 1069 431 B N > - 0 0 33 -85,-0.0 3,-1.2 1,-0.0 -85,-0.1 -0.973 52.4-105.1-159.3 159.4 -24.6 -10.9 58.9 1070 432 B G T 3 S+ 0 0 76 -2,-0.3 -1,-0.0 1,-0.2 0, 0.0 0.621 116.4 59.4 -65.6 -14.5 -22.4 -12.3 61.8 1071 433 B H T 3 S- 0 0 53 2,-0.1 -118,-0.2 -88,-0.1 -1,-0.2 0.596 99.3-137.0 -90.6 -10.2 -23.0 -9.2 63.9 1072 434 B G < + 0 0 50 -3,-1.2 2,-0.4 1,-0.2 -2,-0.1 0.693 53.3 142.9 66.2 20.8 -26.8 -9.8 63.9 1073 435 B Y + 0 0 16 -6,-0.1 2,-0.3 -7,-0.0 -1,-0.2 -0.819 21.9 171.0-100.6 131.7 -27.5 -6.1 63.3 1074 436 B R - 0 0 94 -2,-0.4 2,-0.3 -3,-0.1 -9,-0.1 -0.889 18.0-155.5-133.8 162.3 -30.4 -5.1 61.0 1075 437 B R - 0 0 23 -2,-0.3 -8,-0.2 -8,-0.0 -11,-0.1 -0.977 30.2-101.9-137.2 151.8 -32.3 -1.9 60.0 1076 438 B E - 0 0 106 -2,-0.3 2,-0.3 -12,-0.1 -85,-0.1 -0.313 41.1-178.4 -68.3 159.6 -35.8 -1.4 58.7 1077 439 B E + 0 0 5 -13,-0.1 -15,-0.2 -15,-0.1 -16,-0.1 -0.959 57.7 4.2-161.0 141.0 -36.3 -0.8 55.0 1078 440 B S >> + 0 0 1 -17,-2.1 4,-1.2 -2,-0.3 3,-0.6 0.760 69.7 156.3 55.9 32.1 -39.1 -0.1 52.6 1079 441 B M T 34 + 0 0 75 1,-0.2 -1,-0.1 -18,-0.2 3,-0.1 0.811 62.4 66.0 -63.6 -29.4 -41.6 0.0 55.6 1080 442 B D T 34 S+ 0 0 87 1,-0.2 4,-0.3 2,-0.1 -1,-0.2 0.920 114.4 26.9 -50.2 -52.8 -44.0 2.2 53.6 1081 443 B I T <> S+ 0 0 7 -3,-0.6 4,-2.7 1,-0.2 -1,-0.2 0.494 95.2 98.4 -96.6 -6.1 -44.8 -0.5 51.0 1082 444 B Q H X S+ 0 0 43 -4,-1.2 4,-2.9 1,-0.2 5,-0.2 0.872 84.5 45.9 -53.4 -46.2 -44.1 -3.6 53.3 1083 445 B P H > S+ 0 0 56 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.928 113.5 48.4 -68.4 -40.4 -47.7 -4.2 54.2 1084 446 B A H > S+ 0 0 8 -4,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.893 114.6 48.1 -60.5 -41.2 -49.0 -3.9 50.6 1085 447 B A H X S+ 0 0 4 -4,-2.7 4,-2.5 2,-0.2 5,-0.2 0.964 111.6 48.7 -59.6 -55.4 -46.2 -6.2 49.5 1086 448 B E H X S+ 0 0 127 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.863 114.2 45.7 -55.8 -41.4 -46.9 -8.8 52.3 1087 449 B R H X S+ 0 0 133 -4,-2.3 4,-2.7 2,-0.2 5,-0.3 0.928 111.1 51.8 -67.7 -47.2 -50.6 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-0.506 37.9-141.5 -70.5 128.0 -57.5 -12.4 44.8 1098 460 B Y - 0 0 69 -2,-0.3 2,-0.3 1,-0.1 -10,-0.1 -0.479 30.3 -92.2 -81.8 159.3 -55.1 -9.6 45.8 1099 461 B D >> - 0 0 96 1,-0.2 4,-1.8 -2,-0.1 3,-0.7 -0.592 23.9-140.1 -73.5 131.6 -56.2 -6.0 46.3 1100 462 B K H 3> S+ 0 0 145 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.872 103.8 59.9 -52.7 -42.0 -55.9 -3.9 43.1 1101 463 B A H 3> S+ 0 0 48 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.805 103.6 50.0 -59.0 -36.0 -54.7 -1.0 45.3 1102 464 B D H <> S+ 0 0 10 -3,-0.7 4,-2.3 2,-0.2 -1,-0.2 0.906 109.5 50.4 -70.3 -42.8 -51.7 -3.1 46.5 1103 465 B F H X S+ 0 0 10 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.903 112.9 47.3 -57.3 -43.9 -50.8 -4.0 42.9 1104 466 B E H X S+ 0 0 97 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.843 107.7 55.5 -70.2 -36.5 -51.0 -0.3 42.0 1105 467 B T H X S+ 0 0 53 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.924 109.3 47.3 -58.3 -48.2 -48.9 0.7 45.0 1106 468 B L H X S+ 0 0 1 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.918 112.6 49.8 -59.5 -44.9 -46.2 -1.8 43.9 1107 469 B Q H X S+ 0 0 65 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.927 110.2 49.5 -58.3 -48.3 -46.4 -0.3 40.3 1108 470 B Y H X S+ 0 0 116 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.887 109.5 53.5 -59.1 -41.5 -46.1 3.2 41.5 1109 471 B T H X S+ 0 0 8 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.951 109.3 46.4 -56.6 -53.9 -43.1 2.3 43.6 1110 472 B F H X S+ 0 0 2 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.915 112.8 51.4 -59.5 -42.3 -41.2 0.7 40.6 1111 473 B E H X S+ 0 0 23 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.896 111.6 46.1 -61.2 -40.6 -42.0 3.7 38.5 1112 474 B R H X S+ 0 0 21 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.891 108.2 56.4 -71.4 -39.5 -40.7 6.1 41.1 1113 475 B M H X S+ 0 0 0 -4,-2.8 4,-2.9 1,-0.2 -2,-0.2 0.896 108.1 49.0 -54.8 -43.4 -37.5 4.0 41.7 1114 476 B K H X S+ 0 0 5 -4,-2.1 4,-2.4 2,-0.2 5,-0.3 0.927 111.5 47.9 -65.7 -46.6 -36.8 4.4 37.9 1115 477 B E H X S+ 0 0 0 -4,-1.9 4,-2.2 1,-0.2 5,-0.2 0.955 114.7 47.2 -56.1 -51.3 -37.3 8.2 37.9 1116 478 B S H X S+ 0 0 0 -4,-2.8 4,-2.7 2,-0.2 5,-0.2 0.912 112.0 49.4 -57.5 -50.8 -35.1 8.5 41.0 1117 479 B A H X S+ 0 0 0 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H <> S+ 0 0 130 -3,-0.5 4,-2.5 -2,-0.3 5,-0.2 0.908 76.2 56.7 -59.9 -41.4 -20.7 14.7 41.9 1128 490 B P H > S+ 0 0 68 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.876 106.2 49.0 -61.5 -38.4 -18.8 12.8 44.7 1129 491 B L H > S+ 0 0 3 -3,-0.2 4,-2.2 2,-0.2 5,-0.2 0.930 111.3 51.2 -59.8 -46.1 -22.0 11.3 46.2 1130 492 B I H X S+ 0 0 10 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.925 107.9 51.4 -63.7 -42.3 -23.1 10.3 42.7 1131 493 B V H < S+ 0 0 112 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.919 110.8 50.0 -53.0 -48.4 -19.7 8.5 42.0 1132 494 B E H < S+ 0 0 34 -4,-2.0 4,-0.2 1,-0.2 -2,-0.2 0.926 120.1 32.6 -59.5 -47.5 -20.1 6.6 45.3 1133 495 B I H >X S+ 0 0 1 -4,-2.2 4,-2.3 1,-0.2 3,-1.0 0.657 87.3 102.1 -91.3 -13.6 -23.6 5.4 44.8 1134 496 B T H 3X S+ 0 0 37 -4,-2.2 4,-2.3 1,-0.3 5,-0.2 0.777 80.9 49.6 -42.4 -47.8 -23.7 4.9 41.0 1135 497 B P H 3> S+ 0 0 29 0, 0.0 4,-1.9 0, 0.0 -1,-0.3 0.905 114.9 45.8 -63.5 -39.5 -23.3 1.1 40.9 1136 498 B W H <> S+ 0 0 4 -3,-1.0 4,-2.5 -4,-0.2 -2,-0.2 0.860 109.1 55.9 -65.6 -37.9 -26.1 0.7 43.5 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