==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 27-JUL-10 3O4W . COMPND 2 MOLECULE: HEXOKINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: KLUYVEROMYCES LACTIS; . AUTHOR E.B.KUETTNER,K.KETTNER,A.KEIM,T.M.KRIEGEL,N.STRATER . 968 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39008.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 683 70.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 53 5.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 82 8.5 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 . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 98 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 329 34.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 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 0 2 2 0 3 1 0 4 2 2 4 0 2 0 0 4 0 0 0 0 0 0 0 0 0 0 2 RESIDUES PER ALPHA HELIX . 0 0 0 1 5 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 4 0 2 2 0 0 0 4 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 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 2 A V > 0 0 45 0, 0.0 3,-2.2 0, 0.0 900,-0.2 0.000 360.0 360.0 360.0 165.0 -16.5 -1.6 40.1 2 3 A R T 3 - 0 0 170 1,-0.2 941,-0.2 939,-0.1 942,-0.1 -0.346 360.0 -26.2 52.3-128.1 -12.8 -3.0 40.1 3 4 A L T 3 S- 0 0 40 1,-0.3 -1,-0.2 940,-0.1 938,-0.2 0.177 102.7-105.3 -92.7 18.6 -10.4 0.0 40.2 4 5 A G < - 0 0 17 -3,-2.2 -1,-0.3 1,-0.1 937,-0.1 0.067 41.4 -76.6 67.8 175.1 -13.1 2.3 38.5 5 6 A P S S+ 0 0 40 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.606 102.2 86.7 -76.7 -23.0 -12.7 3.4 34.7 6 7 A K S S- 0 0 94 933,-0.5 933,-0.0 -3,-0.2 -3,-0.0 -0.499 96.6 -88.8 -85.6 153.0 -10.0 6.1 34.9 7 8 A K - 0 0 157 -2,-0.2 -1,-0.1 1,-0.1 3,-0.1 -0.426 48.4-117.5 -64.4 130.6 -6.4 5.0 34.7 8 9 A P - 0 0 45 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.346 36.6 -94.0 -62.0 153.1 -5.2 4.3 38.3 9 10 A P - 0 0 59 0, 0.0 2,-0.1 0, 0.0 3,-0.1 -0.292 51.2 -91.3 -56.2 152.8 -2.3 6.6 39.5 10 11 A A - 0 0 81 1,-0.1 340,-0.1 -3,-0.1 341,-0.0 -0.462 51.8 -99.3 -62.5 141.8 1.1 5.1 39.0 11 12 A R - 0 0 28 340,-0.4 342,-0.1 -2,-0.1 -1,-0.1 -0.298 24.4-122.3 -58.7 153.7 2.2 3.1 42.1 12 13 A K - 0 0 78 -3,-0.1 -1,-0.1 2,-0.0 -2,-0.1 0.878 33.4-154.7 -63.9 -43.6 4.6 4.9 44.6 13 14 A G - 0 0 24 1,-0.1 2,-0.1 2,-0.0 -2,-0.0 0.933 12.6-169.0 70.4 41.4 7.2 2.1 44.1 14 15 A S - 0 0 39 1,-0.1 -1,-0.1 2,-0.0 3,-0.1 -0.432 14.9-167.7 -59.6 140.9 9.1 2.5 47.4 15 16 A M > + 0 0 57 1,-0.1 3,-1.8 -2,-0.1 -1,-0.1 0.212 55.5 112.9-110.2 10.8 12.3 0.4 47.5 16 17 A A T 3 S+ 0 0 92 1,-0.3 -1,-0.1 3,-0.0 -2,-0.0 0.789 76.0 45.2 -60.1 -32.1 12.7 0.8 51.3 17 18 A D T 3 S+ 0 0 68 -3,-0.1 -1,-0.3 2,-0.1 357,-0.1 0.474 83.1 112.9 -91.1 1.3 12.1 -2.8 52.2 18 19 A V S < S- 0 0 14 -3,-1.8 -3,-0.1 1,-0.1 357,-0.0 -0.577 72.1-119.5 -78.7 126.6 14.4 -4.3 49.5 19 20 A P > - 0 0 57 0, 0.0 4,-2.9 0, 0.0 5,-0.2 -0.227 23.7-106.8 -62.6 157.3 17.4 -5.9 51.1 20 21 A A H > S+ 0 0 88 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.835 115.6 52.6 -50.4 -43.6 20.9 -4.7 50.4 21 22 A N H > S+ 0 0 81 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.919 114.0 40.3 -72.2 -39.8 21.9 -7.6 48.2 22 23 A L H > S+ 0 0 10 2,-0.2 4,-2.3 -3,-0.2 3,-0.2 0.906 111.9 57.3 -69.5 -39.6 18.9 -7.5 45.9 23 24 A M H X S+ 0 0 34 -4,-2.9 4,-2.4 1,-0.3 -2,-0.2 0.892 103.2 54.5 -60.7 -36.7 19.1 -3.7 45.8 24 25 A E H X S+ 0 0 133 -4,-2.4 4,-1.6 -5,-0.2 -1,-0.3 0.879 107.9 49.9 -60.1 -37.8 22.7 -4.0 44.5 25 26 A Q H X S+ 0 0 49 -4,-1.3 4,-2.4 -3,-0.2 -2,-0.2 0.880 107.8 53.8 -70.3 -34.5 21.3 -6.2 41.7 26 27 A I H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.932 107.9 49.7 -63.3 -45.2 18.6 -3.6 40.9 27 28 A H H X S+ 0 0 95 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.885 107.8 54.2 -58.5 -33.5 21.3 -1.0 40.6 28 29 A G H X S+ 0 0 29 -4,-1.6 4,-2.7 1,-0.2 -2,-0.2 0.917 106.6 51.3 -72.8 -36.4 23.2 -3.3 38.3 29 30 A L H X S+ 0 0 6 -4,-2.4 4,-2.4 1,-0.2 5,-0.3 0.909 108.6 52.7 -61.2 -38.9 20.0 -3.6 36.1 30 31 A E H X S+ 0 0 54 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.921 109.8 47.2 -60.0 -44.7 19.9 0.2 36.0 31 32 A T H < S+ 0 0 120 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.935 115.0 48.2 -64.3 -41.6 23.5 0.3 34.8 32 33 A L H < S+ 0 0 74 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.883 124.6 24.3 -62.3 -40.8 22.8 -2.3 32.2 33 34 A F H < S+ 0 0 2 -4,-2.4 2,-0.3 -5,-0.1 -2,-0.2 0.551 87.8 107.0-113.8 -8.5 19.6 -0.9 30.7 34 35 A T < - 0 0 91 -4,-2.2 2,-0.6 -5,-0.3 351,-0.0 -0.582 51.9-154.7 -74.8 135.4 19.5 2.9 31.3 35 36 A V - 0 0 4 -2,-0.3 -2,-0.0 4,-0.0 -3,-0.0 -0.945 14.7-146.4-105.9 113.5 20.2 4.9 28.1 36 37 A S > - 0 0 49 -2,-0.6 4,-3.0 1,-0.1 5,-0.1 -0.314 22.3-113.4 -74.1 162.2 21.5 8.3 29.0 37 38 A S H > S+ 0 0 26 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.896 120.0 52.7 -57.3 -41.4 20.8 11.5 27.1 38 39 A E H > S+ 0 0 123 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.891 108.4 49.5 -63.2 -39.4 24.4 11.7 26.0 39 40 A K H > S+ 0 0 70 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.956 110.7 50.9 -67.2 -40.3 24.3 8.1 24.8 40 41 A M H X S+ 0 0 0 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.908 109.1 49.4 -59.0 -46.3 21.1 9.0 22.8 41 42 A R H X S+ 0 0 73 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.871 112.2 50.9 -59.1 -36.7 22.8 12.0 21.2 42 43 A S H X S+ 0 0 59 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.889 109.9 47.6 -66.6 -45.9 25.7 9.7 20.3 43 44 A I H X S+ 0 0 0 -4,-2.5 4,-3.1 1,-0.2 -2,-0.2 0.934 110.8 53.1 -63.6 -39.8 23.5 7.1 18.7 44 45 A V H X S+ 0 0 4 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.892 104.2 55.0 -66.5 -39.3 21.7 9.8 16.8 45 46 A K H X S+ 0 0 143 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.904 113.3 42.3 -58.9 -43.6 25.0 11.2 15.4 46 47 A H H X S+ 0 0 44 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.910 111.4 55.2 -70.8 -40.3 25.8 7.7 14.0 47 48 A F H X S+ 0 0 0 -4,-3.1 4,-2.2 2,-0.2 -2,-0.2 0.905 106.8 50.4 -55.6 -44.6 22.3 7.1 12.8 48 49 A I H X S+ 0 0 36 -4,-2.9 4,-2.7 1,-0.2 5,-0.2 0.952 109.3 51.8 -60.8 -41.6 22.4 10.3 10.8 49 50 A S H X S+ 0 0 62 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.870 111.7 46.8 -60.9 -38.4 25.7 9.2 9.3 50 51 A E H X S+ 0 0 11 -4,-2.3 4,-2.4 2,-0.2 12,-0.3 0.812 108.0 54.4 -76.4 -27.9 24.1 5.8 8.4 51 52 A L H X S+ 0 0 0 -4,-2.2 4,-1.1 2,-0.2 -2,-0.2 0.943 112.4 45.8 -62.3 -46.3 21.0 7.5 6.8 52 53 A D H >X S+ 0 0 83 -4,-2.7 4,-0.8 1,-0.2 3,-0.7 0.909 112.6 51.0 -61.2 -46.1 23.5 9.5 4.7 53 54 A K H >< S+ 0 0 86 -4,-2.2 3,-0.9 1,-0.2 6,-0.5 0.895 105.1 55.2 -64.3 -40.3 25.4 6.3 3.9 54 55 A G H 3< S+ 0 0 1 -4,-2.4 -1,-0.2 1,-0.2 6,-0.2 0.756 109.0 48.1 -64.7 -24.2 22.3 4.4 2.8 55 56 A L H << S+ 0 0 3 -4,-1.1 192,-2.4 -3,-0.7 -1,-0.2 0.526 96.4 95.8 -87.4 -12.2 21.5 7.1 0.3 56 57 A S S X< S- 0 0 21 -3,-0.9 3,-0.5 -4,-0.8 4,-0.1 -0.323 90.1-107.8 -73.4 164.8 25.1 7.1 -1.1 57 58 A K T 3 S+ 0 0 133 1,-0.2 -1,-0.1 2,-0.1 -4,-0.0 0.850 120.9 51.2 -59.9 -35.3 26.2 5.2 -4.2 58 59 A K T 3 S- 0 0 203 1,-0.1 -1,-0.2 -5,-0.1 -4,-0.1 0.819 99.8-156.2 -71.4 -25.8 28.1 2.8 -2.0 59 60 A G < - 0 0 22 -3,-0.5 2,-0.3 -6,-0.5 -5,-0.2 -0.103 5.5-142.2 69.5-179.4 25.1 2.1 0.2 60 61 A G - 0 0 30 2,-0.4 211,-0.0 -6,-0.2 -10,-0.0 -0.868 40.2 -67.2-159.1-168.3 25.1 0.9 3.8 61 62 A N S S+ 0 0 56 -2,-0.3 209,-0.1 209,-0.1 -11,-0.0 0.693 114.5 75.1 -71.2 -21.6 23.2 -1.4 6.2 62 63 A I S S- 0 0 0 -12,-0.3 -2,-0.4 1,-0.1 206,-0.1 -0.852 76.4-150.7 -89.7 121.0 20.2 1.0 6.1 63 64 A P - 0 0 50 0, 0.0 204,-0.2 0, 0.0 -1,-0.1 0.864 12.3-167.8 -60.1 -40.7 18.4 0.5 2.7 64 65 A M - 0 0 0 202,-2.3 202,-0.2 1,-0.2 203,-0.1 0.966 17.8-161.8 54.4 60.8 17.0 4.0 2.5 65 66 A I E -A 265 0A 45 200,-2.5 200,-2.9 1,-0.1 -1,-0.2 -0.628 16.8-122.2 -87.7 124.6 14.8 3.0 -0.4 66 67 A P E -A 264 0A 16 0, 0.0 198,-0.2 0, 0.0 95,-0.1 -0.382 17.7-161.7 -61.9 126.7 13.3 5.7 -2.7 67 68 A G - 0 0 5 196,-3.5 197,-0.1 2,-0.2 139,-0.1 0.487 28.8-127.3 -91.0 -5.4 9.6 5.5 -2.6 68 69 A W + 0 0 5 195,-0.5 2,-0.6 1,-0.2 96,-0.2 0.778 67.7 130.5 61.7 27.6 8.9 7.5 -5.8 69 70 A V + 0 0 3 194,-0.3 194,-2.6 1,-0.1 -1,-0.2 -0.979 30.7 175.6-106.7 110.5 6.5 9.8 -4.2 70 71 A V + 0 0 5 -2,-0.6 2,-0.3 192,-0.2 -1,-0.1 0.067 54.5 41.4-113.8 24.8 8.0 13.1 -5.4 71 72 A E S S- 0 0 53 189,-0.1 192,-0.1 0, 0.0 397,-0.1 -0.956 79.7-110.4-156.9 164.4 5.5 15.6 -4.0 72 73 A Y - 0 0 111 -2,-0.3 2,-0.1 190,-0.0 143,-0.0 -0.800 34.9-110.4 -95.5 149.9 3.6 16.1 -0.8 73 74 A P - 0 0 9 0, 0.0 392,-0.0 0, 0.0 -1,-0.0 -0.442 21.6-153.1 -68.6 151.9 -0.2 15.7 -0.7 74 75 A T - 0 0 84 -2,-0.1 145,-0.0 146,-0.0 -2,-0.0 0.604 30.1-120.5-101.3 -18.8 -1.9 19.1 -0.2 75 76 A G S S+ 0 0 0 26,-0.1 27,-3.1 146,-0.0 28,-0.4 0.326 99.5 88.3 90.9 -9.7 -5.1 17.9 1.6 76 77 A K + 0 0 124 25,-0.2 143,-0.0 26,-0.1 22,-0.0 0.401 56.0 121.4-103.9 -0.7 -7.2 19.4 -1.3 77 78 A E - 0 0 24 142,-0.1 23,-0.8 1,-0.0 2,-0.3 -0.288 41.7-170.4 -59.1 143.7 -7.1 16.2 -3.5 78 79 A T E +F 99 0B 95 21,-0.2 2,-0.2 22,-0.1 21,-0.2 -0.942 27.7 71.0-135.4 160.0 -10.5 14.8 -4.4 79 80 A G E S-F 98 0B 28 19,-1.3 19,-2.9 -2,-0.3 2,-0.5 -0.641 72.9 -63.8 131.5 175.2 -11.7 11.6 -6.0 80 81 A D E +F 97 0B 55 17,-0.2 2,-0.3 -2,-0.2 17,-0.2 -0.877 49.9 169.3-106.2 125.8 -12.2 7.9 -5.7 81 82 A F E -F 96 0B 19 15,-2.7 15,-3.1 -2,-0.5 2,-0.3 -0.981 23.4-134.5-138.3 144.9 -9.2 5.7 -5.4 82 83 A L E -Fg 95 151B 0 68,-3.1 70,-2.5 -2,-0.3 2,-0.4 -0.787 13.5-167.0 -99.2 154.0 -8.6 2.1 -4.5 83 84 A A E -Fg 94 152B 0 11,-2.4 11,-2.6 -2,-0.3 2,-0.4 -0.988 1.2-167.2-131.0 145.1 -6.1 0.5 -2.1 84 85 A L E -Fg 93 153B 0 68,-2.2 70,-3.4 -2,-0.4 2,-0.5 -0.994 0.5-168.7-128.3 132.4 -5.1 -3.1 -1.8 85 86 A D E -Fg 92 154B 26 7,-2.5 7,-2.4 -2,-0.4 2,-0.9 -0.961 6.6-160.4-123.1 113.2 -3.1 -4.4 1.2 86 87 A L E +F 91 0B 0 68,-2.1 70,-0.4 -2,-0.5 5,-0.2 -0.824 22.3 170.8 -92.9 105.1 -1.8 -7.9 0.8 87 88 A G - 0 0 11 3,-2.8 -2,-0.0 -2,-0.9 26,-0.0 -0.435 47.4 -95.1-102.0-173.3 -1.0 -9.3 4.2 88 89 A G S S+ 0 0 18 1,-0.2 30,-0.1 -2,-0.1 3,-0.1 0.838 120.2 21.4 -70.5 -37.5 -0.0 -12.7 5.4 89 90 A T S S+ 0 0 74 1,-0.2 24,-3.0 23,-0.0 2,-0.3 0.565 127.6 17.1-107.2 -19.7 -3.5 -13.8 6.5 90 91 A N E - H 0 112B 30 22,-0.3 -3,-2.8 2,-0.0 2,-0.5 -0.991 56.5-128.5-154.3 161.2 -5.7 -11.5 4.4 91 92 A L E -FH 86 111B 0 20,-3.0 20,-3.4 -2,-0.3 2,-0.4 -0.959 24.9-157.6-106.2 131.3 -6.3 -9.1 1.6 92 93 A R E -FH 85 110B 4 -7,-2.4 -7,-2.5 -2,-0.5 2,-0.5 -0.925 4.1-165.2-108.5 132.7 -7.9 -5.7 2.5 93 94 A V E -FH 84 109B 0 16,-2.6 16,-2.4 -2,-0.4 2,-0.4 -0.981 10.1-174.1-116.4 127.4 -9.6 -3.8 -0.3 94 95 A V E -FH 83 108B 1 -11,-2.6 -11,-2.4 -2,-0.5 2,-0.6 -0.984 19.6-157.7-126.8 126.8 -10.4 -0.1 0.4 95 96 A L E -FH 82 107B 17 12,-3.3 12,-1.6 -2,-0.4 2,-0.6 -0.914 21.8-167.0 -93.6 117.7 -12.4 2.5 -1.7 96 97 A V E -FH 81 106B 0 -15,-3.1 -15,-2.7 -2,-0.6 2,-0.7 -0.927 11.1-164.5-108.9 126.1 -11.2 5.9 -0.5 97 98 A K E -FH 80 105B 124 8,-2.7 8,-2.2 -2,-0.6 2,-0.4 -0.924 16.4-145.6-105.6 113.9 -13.1 9.0 -1.4 98 99 A L E -FH 79 104B 3 -19,-2.9 -19,-1.3 -2,-0.7 6,-0.3 -0.710 6.1-159.2 -83.5 130.2 -10.9 12.0 -0.8 99 100 A G E -F 78 0B 38 4,-2.6 5,-0.2 -2,-0.4 -21,-0.2 0.637 30.3-122.8 -84.8 -14.6 -12.9 15.1 0.4 100 101 A G S S+ 0 0 8 -23,-0.8 -22,-0.1 3,-0.6 4,-0.1 0.584 94.5 81.3 84.2 6.5 -10.5 17.9 -0.5 101 102 A N S S- 0 0 114 2,-0.2 -25,-0.2 -24,-0.1 3,-0.1 -0.397 123.4 -78.8-140.5 54.0 -10.3 19.3 3.1 102 103 A H S S+ 0 0 54 -27,-3.1 2,-0.3 1,-0.2 -26,-0.1 0.816 106.3 108.0 59.1 29.0 -7.8 17.0 4.6 103 104 A D + 0 0 71 -28,-0.4 -4,-2.6 116,-0.0 -3,-0.6 -0.896 43.4 178.7-137.5 161.8 -10.6 14.5 5.0 104 105 A F E -H 98 0B 56 -2,-0.3 2,-0.4 -6,-0.3 -6,-0.2 -0.991 20.2-136.3-159.3 164.6 -11.8 11.2 3.4 105 106 A D E -H 97 0B 70 -8,-2.2 -8,-2.7 -2,-0.3 2,-0.4 -0.962 22.5-155.9-123.9 143.6 -14.4 8.5 3.5 106 107 A T E -H 96 0B 8 -2,-0.4 2,-0.4 -10,-0.2 -10,-0.2 -0.928 17.5-173.7-123.3 153.5 -13.6 4.8 3.3 107 108 A T E +H 95 0B 6 -12,-1.6 -12,-3.3 -2,-0.4 2,-0.3 -0.962 28.0 175.7-137.0 118.4 -15.5 1.6 2.2 108 109 A Q E -H 94 0B 7 729,-0.4 731,-2.7 -2,-0.4 732,-0.3 -0.947 22.2-171.0-140.2 148.1 -13.5 -1.5 3.0 109 110 A N E -H 93 0B 4 -16,-2.4 -16,-2.6 -2,-0.3 2,-0.4 -0.928 14.5-145.9-127.0 159.6 -13.7 -5.3 2.8 110 111 A K E -H 92 0B 35 -2,-0.3 2,-0.6 -18,-0.2 -18,-0.2 -0.982 8.8-165.3-130.9 128.0 -11.3 -7.9 4.2 111 112 A Y E -H 91 0B 17 -20,-3.4 -20,-3.0 -2,-0.4 2,-0.2 -0.964 18.4-137.8-118.0 113.5 -10.8 -11.3 2.3 112 113 A R E -H 90 0B 91 -2,-0.6 -22,-0.3 -22,-0.2 -23,-0.0 -0.514 24.6-117.9 -76.3 135.4 -9.1 -13.9 4.4 113 114 A L - 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0 0 79 -2,-2.4 2,-0.2 4,-0.1 22,-0.0 -0.467 11.2-155.8 -64.6 138.4 23.5 -4.4 23.4 281 282 A T > - 0 0 13 -2,-0.2 4,-2.3 1,-0.1 3,-0.2 -0.497 36.8 -91.5-103.5 176.3 23.8 -6.3 26.6 282 283 A K H > S+ 0 0 114 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.894 129.6 54.3 -55.2 -33.3 24.8 -10.0 27.1 283 284 A Y H > S+ 0 0 19 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.876 107.1 48.6 -70.8 -37.6 21.0 -10.7 26.9 284 285 A D H > S+ 0 0 10 -3,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.871 108.6 54.1 -66.0 -39.8 20.7 -9.0 23.6 285 286 A V H X S+ 0 0 37 -4,-2.3 4,-3.0 2,-0.2 5,-0.2 0.945 109.6 48.2 -58.2 -46.9 23.6 -10.9 22.3 286 287 A I H X S+ 0 0 45 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.930 110.1 51.7 -60.1 -45.1 21.9 -14.2 23.3 287 288 A I H X S+ 0 0 4 -4,-2.4 4,-0.6 1,-0.2 -1,-0.2 0.933 114.2 43.8 -56.9 -46.2 18.6 -13.1 21.6 288 289 A D H >< S+ 0 0 10 -4,-2.2 3,-1.4 1,-0.2 -2,-0.2 0.953 112.0 51.2 -66.1 -44.3 20.5 -12.3 18.4 289 290 A E H 3< S+ 0 0 128 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.803 115.7 44.5 -64.7 -29.2 22.7 -15.5 18.5 290 291 A E H 3< S+ 0 0 122 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.486 96.1 98.2 -93.6 -0.0 19.5 -17.5 18.9 291 292 A S S << S- 0 0 14 -3,-1.4 -3,-0.0 -4,-0.6 -4,-0.0 -0.222 89.3-100.7 -82.1 171.4 17.4 -15.7 16.3 292 293 A P S S+ 0 0 114 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.848 116.7 28.8 -59.0 -33.1 16.7 -16.8 12.8 293 294 A R S > S- 0 0 140 3,-0.1 3,-2.1 -5,-0.1 -3,-0.1 -0.713 82.3-153.9-132.4 79.9 19.3 -14.5 11.3 294 295 A P T 3 S+ 0 0 78 0, 0.0 -5,-0.1 0, 0.0 3,-0.1 -0.333 82.3 20.5 -52.7 135.4 22.1 -13.8 13.8 295 296 A G T 3 S+ 0 0 22 1,-0.4 2,-0.3 2,-0.0 3,-0.3 0.427 104.8 105.4 81.8 2.3 23.8 -10.4 13.1 296 297 A Q S < S+ 0 0 95 -3,-2.1 -1,-0.4 1,-0.2 -3,-0.1 -0.735 72.5 17.7-105.8 163.8 20.8 -9.0 11.2 297 298 A Q > + 0 0 52 -2,-0.3 4,-2.7 -3,-0.1 -27,-0.2 0.826 67.8 166.6 51.9 43.5 18.1 -6.5 12.2 298 299 A A H > S+ 0 0 5 -3,-0.3 4,-1.3 1,-0.2 -28,-0.2 0.896 73.9 43.5 -57.5 -43.2 20.2 -5.1 15.1 299 300 A F H > S+ 0 0 1 -30,-1.3 4,-0.9 -28,-0.7 5,-0.2 0.906 112.7 51.8 -74.3 -38.0 18.0 -2.0 15.6 300 301 A E H >> S+ 0 0 40 -31,-2.2 4,-3.2 1,-0.2 3,-1.0 0.923 108.1 53.3 -59.4 -43.7 14.7 -4.0 15.2 301 302 A K H 3< S+ 0 0 18 -4,-2.7 -1,-0.2 -32,-0.4 -2,-0.2 0.809 111.8 45.6 -62.9 -30.7 16.0 -6.4 17.9 302 303 A M H 3< S+ 0 0 6 -4,-1.3 -1,-0.2 -3,-0.2 -2,-0.2 0.564 126.9 25.5 -86.9 -7.8 16.7 -3.5 20.2 303 304 A T H << S+ 0 0 1 -3,-1.0 -2,-0.2 -4,-0.9 -3,-0.2 0.556 90.0 105.1-132.4 -19.1 13.4 -1.7 19.7 304 305 A S >< - 0 0 1 -4,-3.2 3,-1.0 -5,-0.2 4,-0.3 -0.420 66.5-134.4 -70.2 144.1 10.7 -4.1 18.6 305 306 A G G > S+ 0 0 1 -74,-1.9 3,-1.1 1,-0.2 4,-0.5 0.715 94.5 81.1 -65.4 -23.1 8.2 -5.1 21.2 306 307 A Y G 3 S+ 0 0 102 -75,-0.4 4,-0.3 -74,-0.3 -1,-0.2 0.767 96.7 39.9 -57.1 -25.5 8.6 -8.8 20.2 307 308 A Y G <> S+ 0 0 28 -3,-1.0 4,-2.4 1,-0.1 -1,-0.2 0.466 85.0 94.0-103.5 -3.2 11.7 -9.3 22.3 308 309 A L H <> S+ 0 0 6 -3,-1.1 4,-1.8 -4,-0.3 -1,-0.1 0.892 91.1 44.3 -67.8 -37.5 11.0 -7.3 25.5 309 310 A G H > S+ 0 0 0 -4,-0.5 4,-2.6 2,-0.2 -1,-0.2 0.881 110.9 55.8 -66.3 -40.4 9.7 -10.3 27.4 310 311 A E H > S+ 0 0 0 -4,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.885 104.8 52.2 -58.2 -45.1 12.6 -12.4 26.1 311 312 A I H X S+ 0 0 1 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.946 111.1 47.4 -56.7 -49.1 15.0 -9.9 27.5 312 313 A M H X S+ 0 0 0 -4,-1.8 4,-2.9 2,-0.2 5,-0.2 0.921 109.1 55.3 -56.8 -46.4 13.3 -10.1 31.0 313 314 A R H X S+ 0 0 10 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.948 110.5 44.0 -55.2 -44.3 13.3 -13.9 30.8 314 315 A L H X S+ 0 0 15 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.900 113.4 49.7 -72.2 -36.2 17.0 -14.1 30.3 315 316 A V H X S+ 0 0 0 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.925 112.2 48.8 -63.0 -45.7 17.8 -11.6 32.9 316 317 A L H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.902 110.5 50.1 -61.7 -41.2 15.6 -13.4 35.4 317 318 A L H X S+ 0 0 25 -4,-2.3 4,-2.8 -5,-0.2 -1,-0.2 0.859 110.3 51.3 -64.1 -40.3 17.2 -16.7 34.6 318 319 A D H X S+ 0 0 36 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.900 109.9 49.0 -60.7 -43.7 20.6 -15.1 35.1 319 320 A L H <>S+ 0 0 11 -4,-2.3 5,-2.4 2,-0.2 6,-0.7 0.887 113.3 48.1 -64.8 -40.3 19.6 -13.7 38.5 320 321 A Y H ><5S+ 0 0 71 -4,-2.4 3,-1.6 4,-0.2 -2,-0.2 0.942 111.2 48.7 -61.7 -52.2 18.3 -17.2 39.4 321 322 A D H 3<5S+ 0 0 110 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.832 108.9 54.5 -59.4 -33.7 21.5 -18.9 38.3 322 323 A S T 3<5S- 0 0 69 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.462 119.7-109.6 -84.0 2.6 23.6 -16.4 40.2 323 324 A G T < 5S+ 0 0 43 -3,-1.6 -3,-0.2 -4,-0.2 -2,-0.1 0.570 86.5 109.2 90.0 11.8 21.7 -17.2 43.4 324 325 A F S + 0 0 2 -2,-0.3 3,-2.4 1,-0.1 -1,-0.1 0.787 67.2 169.6 55.3 36.2 13.4 -17.6 43.2 327 328 A K T 3 S+ 0 0 128 1,-0.3 -1,-0.1 -3,-0.1 -2,-0.1 0.806 72.1 31.1 -57.6 -36.8 15.7 -19.6 45.4 328 329 A D T 3 S+ 0 0 156 42,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.268 101.1 111.6-102.7 19.0 13.2 -22.4 46.2 329 330 A Q S < S- 0 0 43 -3,-2.4 2,-1.0 -4,-0.1 40,-0.1 -0.508 71.7-119.9-102.9 156.5 11.3 -22.3 43.0 330 331 A D + 0 0 88 38,-0.4 3,-0.4 -2,-0.2 -2,-0.1 -0.801 34.4 177.2 -84.9 106.4 10.7 -24.6 40.1 331 332 A I > + 0 0 6 -2,-1.0 3,-1.0 1,-0.2 4,-0.3 0.212 38.2 119.6 -99.5 17.0 12.0 -22.3 37.3 332 333 A S G > + 0 0 59 1,-0.3 3,-1.8 2,-0.2 4,-0.2 0.836 69.9 58.9 -52.5 -40.3 11.5 -24.7 34.4 333 334 A K G > S+ 0 0 76 34,-0.4 3,-1.7 -3,-0.4 -1,-0.3 0.862 97.5 61.9 -62.3 -33.2 9.1 -22.5 32.6 334 335 A L G < S+ 0 0 0 -3,-1.0 -1,-0.3 1,-0.3 -2,-0.2 0.538 92.6 66.1 -67.6 -6.5 11.7 -19.7 32.4 335 336 A K G < S+ 0 0 141 -3,-1.8 2,-0.7 -4,-0.3 -1,-0.3 0.483 78.8 95.9 -89.2 -3.8 14.0 -21.9 30.4 336 337 A E S X S- 0 0 76 -3,-1.7 3,-1.7 -4,-0.2 4,-0.3 -0.753 81.4-123.0 -89.4 118.0 11.6 -21.9 27.4 337 338 A A T 3 S+ 0 0 58 -2,-0.7 -2,-0.1 1,-0.2 -27,-0.0 -0.354 91.8 7.1 -59.7 134.6 12.6 -19.3 24.8 338 339 A Y T 3 S+ 0 0 69 2,-0.1 -1,-0.2 -31,-0.1 -28,-0.1 0.484 84.1 127.7 68.3 10.3 9.8 -16.7 24.1 339 340 A V < + 0 0 29 -3,-1.7 2,-0.9 -6,-0.2 -2,-0.1 0.845 69.3 62.7 -57.1 -36.6 7.5 -18.1 26.9 340 341 A M S S- 0 0 0 -4,-0.3 -27,-0.2 -6,-0.1 -1,-0.2 -0.840 77.3-178.5 -93.1 102.7 7.4 -14.4 28.0 341 342 A D > - 0 0 82 -2,-0.9 3,-2.0 -32,-0.2 -35,-0.1 -0.177 50.6 -76.3 -86.6-175.1 5.8 -12.4 25.2 342 343 A T T 3> S+ 0 0 40 1,-0.3 4,-2.0 2,-0.2 5,-0.2 0.776 123.6 73.4 -56.7 -22.9 5.2 -8.6 25.1 343 344 A S H 3> S+ 0 0 42 2,-0.2 4,-2.6 1,-0.2 -1,-0.3 0.730 88.5 62.5 -64.2 -22.0 2.2 -9.1 27.5 344 345 A Y H <> S+ 0 0 15 -3,-2.0 4,-2.5 2,-0.2 5,-0.2 0.995 107.8 36.1 -72.3 -57.2 4.6 -9.8 30.4 345 346 A P H > S+ 0 0 0 0, 0.0 4,-3.0 0, 0.0 -2,-0.2 0.869 119.6 55.0 -61.7 -33.3 6.5 -6.4 30.6 346 347 A S H X S+ 0 0 22 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.958 111.4 40.2 -61.2 -52.4 3.1 -4.8 29.7 347 348 A K H X S+ 0 0 100 -4,-2.6 4,-0.8 2,-0.2 -1,-0.2 0.875 116.2 51.5 -65.7 -33.1 1.2 -6.3 32.5 348 349 A I H >< S+ 0 0 0 -4,-2.5 3,-1.0 1,-0.2 -2,-0.2 0.944 110.7 47.5 -71.7 -40.6 4.0 -5.8 34.9 349 350 A E H 3< S+ 0 0 22 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.721 111.8 52.5 -69.8 -25.8 4.3 -2.1 34.0 350 351 A D H 3< S+ 0 0 93 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.549 76.5 123.0 -81.6 -13.6 0.5 -1.7 34.3 351 352 A D << - 0 0 1 -3,-1.0 -340,-0.4 -4,-0.8 5,-0.1 -0.319 42.9-169.2 -56.6 113.7 0.4 -3.2 37.8 352 353 A P + 0 0 14 0, 0.0 241,-0.4 0, 0.0 2,-0.3 0.522 52.1 98.2 -82.1 -7.5 -1.2 -0.5 40.0 353 354 A F > - 0 0 5 1,-0.1 3,-1.3 -342,-0.1 241,-0.3 -0.631 67.3-142.5 -95.1 142.4 -0.5 -2.1 43.4 354 355 A E T 3 S+ 0 0 7 239,-2.8 240,-0.2 -2,-0.3 -1,-0.1 0.904 111.3 47.8 -65.2 -35.5 2.4 -1.4 45.7 355 356 A N T 3 S- 0 0 14 238,-0.3 -1,-0.3 -3,-0.0 5,-0.1 0.384 110.2-130.2 -85.3 4.0 2.6 -5.1 46.5 356 357 A L <> + 0 0 0 -3,-1.3 4,-2.0 1,-0.1 -2,-0.1 0.895 43.4 166.3 55.2 50.1 2.5 -5.8 42.7 357 358 A E H > S+ 0 0 6 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.837 70.7 59.1 -72.9 -28.7 -0.3 -8.4 42.9 358 359 A D H > S+ 0 0 54 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.919 110.1 45.4 -58.4 -40.0 -0.9 -8.3 39.1 359 360 A T H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.873 111.2 53.4 -70.7 -38.7 2.8 -9.4 38.7 360 361 A D H X S+ 0 0 24 -4,-2.0 4,-2.8 1,-0.2 5,-0.3 0.955 111.0 45.2 -62.2 -50.0 2.3 -12.0 41.5 361 362 A D H X S+ 0 0 50 -4,-2.8 4,-3.0 1,-0.2 5,-0.4 0.905 111.8 52.3 -63.5 -41.3 -0.7 -13.5 39.8 362 363 A L H X>S+ 0 0 8 -4,-2.1 4,-2.3 -5,-0.2 5,-0.7 0.947 113.7 43.3 -58.6 -52.2 1.0 -13.5 36.4 363 364 A F H X5S+ 0 0 0 -4,-2.6 6,-2.3 3,-0.2 4,-1.1 0.921 118.5 42.8 -62.5 -42.5 4.1 -15.3 37.7 364 365 A K H X5S+ 0 0 97 -4,-2.8 4,-0.8 4,-0.3 -2,-0.2 0.951 122.3 37.7 -68.0 -45.9 2.2 -17.9 39.8 365 366 A T H <5S+ 0 0 95 -4,-3.0 -3,-0.2 -5,-0.3 -2,-0.2 0.906 129.4 26.5 -78.9 -41.7 -0.4 -18.6 37.2 366 367 A N H <5S+ 0 0 68 -4,-2.3 -3,-0.2 -5,-0.4 -1,-0.1 0.777 135.6 25.0 -97.3 -30.5 1.6 -18.6 34.0 367 368 A L H < - 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0 0 36 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.396 40.5-176.2 -89.3 67.0 -40.6 -4.8 26.6 765 281 B R - 0 0 75 -2,-2.2 2,-0.2 4,-0.1 22,-0.0 -0.438 8.5-155.8 -66.5 130.6 -39.8 -8.5 27.1 766 282 B T > - 0 0 10 -2,-0.2 4,-2.1 1,-0.1 5,-0.1 -0.484 37.5 -95.5 -93.5 174.5 -39.7 -10.6 24.0 767 283 B K H > S+ 0 0 119 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.806 128.8 55.7 -56.6 -30.2 -40.2 -14.4 23.8 768 284 B Y H > S+ 0 0 12 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.900 105.2 48.6 -73.8 -42.3 -36.4 -14.5 24.0 769 285 B D H > S+ 0 0 8 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.883 109.5 54.5 -61.5 -36.2 -36.2 -12.6 27.2 770 286 B V H X S+ 0 0 46 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.935 108.7 48.1 -63.9 -45.9 -38.9 -14.9 28.6 771 287 B I H X S+ 0 0 42 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.942 110.2 52.2 -57.8 -49.9 -36.7 -18.0 27.7 772 288 B I H < S+ 0 0 4 -4,-2.5 4,-0.3 1,-0.2 -1,-0.2 0.911 112.8 44.5 -54.6 -45.6 -33.7 -16.3 29.3 773 289 B D H >< S+ 0 0 12 -4,-2.4 3,-1.4 1,-0.2 -1,-0.2 0.941 112.1 51.3 -65.5 -50.1 -35.6 -15.7 32.5 774 290 B E H 3< S+ 0 0 132 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.831 115.8 42.3 -53.6 -29.3 -37.2 -19.2 32.6 775 291 B E T 3< S+ 0 0 124 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.340 96.6 102.4-102.9 3.3 -33.8 -20.8 32.2 776 292 B S S < S- 0 0 11 -3,-1.4 -3,-0.1 -4,-0.3 -4,-0.0 -0.360 87.3-104.4 -82.6 166.4 -32.0 -18.5 34.6 777 293 B P S S+ 0 0 128 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.825 115.5 28.5 -62.0 -34.8 -31.0 -19.4 38.2 778 294 B R S > S- 0 0 141 3,-0.1 3,-1.9 -5,-0.1 -3,-0.1 -0.730 82.8-156.0-126.0 84.1 -33.8 -17.3 39.7 779 295 B P T 3 S+ 0 0 75 0, 0.0 -5,-0.1 0, 0.0 3,-0.1 -0.362 81.3 22.6 -54.2 136.3 -36.8 -17.1 37.3 780 296 B G T 3 S+ 0 0 25 1,-0.3 2,-0.3 2,-0.0 3,-0.3 0.355 105.2 103.7 86.3 -4.5 -38.9 -14.0 37.9 781 297 B Q S < S+ 0 0 88 -3,-1.9 -1,-0.3 1,-0.2 -3,-0.1 -0.748 73.1 16.2-103.4 159.9 -36.1 -12.2 39.6 782 298 B Q > + 0 0 57 -2,-0.3 4,-2.6 -3,-0.1 -27,-0.2 0.830 66.3 165.3 57.5 42.2 -33.8 -9.4 38.4 783 299 B A H > S+ 0 0 4 -3,-0.3 4,-1.6 1,-0.2 -28,-0.2 0.911 73.5 44.2 -60.0 -43.7 -36.0 -8.4 35.5 784 300 B F H > S+ 0 0 2 -30,-0.9 4,-0.9 -28,-0.8 5,-0.3 0.900 112.5 52.3 -70.5 -38.8 -34.4 -5.0 34.8 785 301 B E H >> S+ 0 0 39 -31,-2.3 4,-3.0 1,-0.2 3,-0.8 0.926 108.2 53.2 -58.7 -44.9 -30.9 -6.5 35.2 786 302 B K H 3< S+ 0 0 17 -4,-2.6 -2,-0.2 -32,-0.4 -1,-0.2 0.833 112.1 44.9 -59.3 -31.0 -31.9 -9.2 32.7 787 303 B M H 3< S+ 0 0 4 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.535 126.5 26.7 -91.0 -5.4 -32.9 -6.5 30.2 788 304 B T H << S+ 0 0 1 -4,-0.9 -2,-0.2 -3,-0.8 -3,-0.2 0.561 89.8 103.6-129.2 -17.8 -29.9 -4.2 30.6 789 305 B S >< - 0 0 1 -4,-3.0 3,-1.1 -5,-0.3 4,-0.3 -0.354 65.9-134.9 -72.2 149.5 -26.9 -6.2 31.7 790 306 B G G > S+ 0 0 2 -74,-2.0 3,-1.3 1,-0.3 4,-0.5 0.725 95.1 79.6 -73.7 -18.2 -24.2 -7.0 29.2 791 307 B Y G 3 S+ 0 0 108 -75,-0.5 4,-0.3 -74,-0.3 -1,-0.3 0.716 96.7 42.7 -60.9 -28.7 -24.1 -10.6 30.4 792 308 B Y G <> S+ 0 0 24 -3,-1.1 4,-2.3 1,-0.1 -1,-0.3 0.472 84.7 91.8 -94.7 -4.5 -27.2 -11.5 28.4 793 309 B L H <> S+ 0 0 4 -3,-1.3 4,-1.8 -4,-0.3 -1,-0.1 0.865 89.2 46.0 -70.2 -35.6 -26.7 -9.8 25.1 794 310 B G H > S+ 0 0 0 -4,-0.5 4,-2.6 2,-0.2 -1,-0.2 0.894 112.0 53.5 -64.2 -39.0 -25.0 -12.7 23.4 795 311 B E H > S+ 0 0 0 -4,-0.3 4,-2.3 2,-0.2 5,-0.2 0.863 104.7 53.1 -68.3 -39.3 -27.7 -15.1 24.7 796 312 B I H X S+ 0 0 2 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.961 112.1 47.2 -59.8 -45.8 -30.5 -13.0 23.3 797 313 B M H X S+ 0 0 0 -4,-1.8 4,-3.0 1,-0.2 -2,-0.2 0.920 108.8 54.6 -59.4 -44.2 -28.7 -13.2 19.9 798 314 B R H X S+ 0 0 9 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.934 110.2 44.9 -58.0 -44.7 -28.2 -16.9 20.2 799 315 B L H X S+ 0 0 18 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.863 112.3 51.5 -70.9 -35.2 -31.9 -17.6 20.8 800 316 B V H X S+ 0 0 0 -4,-2.1 4,-2.5 -5,-0.2 -2,-0.2 0.959 112.1 47.6 -64.5 -44.3 -33.0 -15.3 18.0 801 317 B L H X S+ 0 0 0 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.885 111.3 49.5 -65.9 -35.1 -30.6 -17.1 15.6 802 318 B L H X S+ 0 0 21 -4,-2.4 4,-3.1 -5,-0.2 -1,-0.2 0.887 110.1 51.4 -65.5 -39.3 -31.7 -20.5 16.7 803 319 B D H X S+ 0 0 38 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.910 110.7 48.7 -67.4 -40.6 -35.4 -19.4 16.2 804 320 B L H <>S+ 0 0 8 -4,-2.5 5,-2.5 2,-0.2 6,-0.8 0.896 112.5 48.2 -65.7 -36.2 -34.5 -18.2 12.7 805 321 B Y H ><5S+ 0 0 72 -4,-2.2 3,-1.9 4,-0.2 -2,-0.2 0.948 111.0 50.7 -64.4 -50.2 -32.7 -21.5 11.9 806 322 B D H 3<5S+ 0 0 116 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.830 108.3 52.9 -56.1 -33.1 -35.7 -23.5 13.2 807 323 B S T 3<5S- 0 0 69 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.403 119.1-111.8 -85.5 -1.5 -38.0 -21.4 11.0 808 324 B G T < 5S+ 0 0 43 -3,-1.9 -3,-0.2 2,-0.2 -2,-0.1 0.624 85.3 112.0 87.4 16.3 -35.9 -22.2 7.9 809 325 B F S + 0 0 1 -2,-0.3 3,-2.0 1,-0.1 -1,-0.2 0.843 68.6 168.8 57.5 40.1 -27.8 -21.4 8.2 812 328 B K T 3 S+ 0 0 130 1,-0.3 -1,-0.1 -3,-0.2 -2,-0.1 0.834 70.5 31.1 -66.1 -34.4 -29.8 -23.7 6.2 813 329 B D T 3 S+ 0 0 156 42,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.086 100.9 112.9-106.7 23.5 -27.1 -26.3 5.4 814 330 B Q S < S- 0 0 44 -3,-2.0 2,-0.9 -4,-0.1 40,-0.1 -0.584 70.6-124.8-100.1 152.9 -25.1 -25.7 8.6 815 331 B D + 0 0 107 38,-0.4 3,-0.3 -2,-0.2 4,-0.1 -0.893 31.8 179.5 -87.6 105.8 -24.4 -27.9 11.6 816 332 B I >> + 0 0 7 -2,-0.9 3,-1.1 1,-0.2 4,-0.7 0.246 38.8 120.5 -96.7 16.4 -25.7 -25.5 14.3 817 333 B S G >4 S+ 0 0 68 1,-0.2 3,-1.3 2,-0.2 4,-0.3 0.859 72.4 54.8 -55.1 -33.8 -24.9 -27.8 17.3 818 334 B K G >4 S+ 0 0 89 34,-0.4 3,-1.3 -3,-0.3 -1,-0.2 0.867 100.3 61.4 -69.6 -27.7 -22.6 -25.3 19.0 819 335 B L G <4 S+ 0 0 0 -3,-1.1 -1,-0.3 33,-0.3 -2,-0.2 0.692 91.8 68.5 -65.5 -17.9 -25.3 -22.7 18.8 820 336 B K G << S+ 0 0 139 -3,-1.3 2,-0.6 -4,-0.7 -1,-0.2 0.601 76.4 99.4 -83.6 -5.6 -27.5 -24.9 21.0 821 337 B E S X S- 0 0 114 -3,-1.3 3,-1.8 -4,-0.3 4,-0.3 -0.693 80.4-120.3 -82.0 116.7 -25.2 -24.4 24.1 822 338 B A T 3 S+ 0 0 51 -2,-0.6 -2,-0.1 1,-0.3 -1,-0.1 -0.331 92.7 6.3 -54.2 135.4 -26.6 -21.8 26.5 823 339 B Y T 3 S+ 0 0 62 2,-0.1 -1,-0.3 1,-0.1 -28,-0.1 0.450 84.8 128.1 64.8 11.7 -24.3 -18.8 27.0 824 340 B V < + 0 0 25 -3,-1.8 2,-0.9 1,-0.2 -2,-0.1 0.807 68.2 63.0 -57.5 -35.1 -21.8 -20.0 24.4 825 341 B M S S- 0 0 0 -4,-0.3 -27,-0.2 -6,-0.1 -1,-0.2 -0.856 77.8-178.4 -94.3 104.5 -22.2 -16.4 22.9 826 342 B D > - 0 0 84 -2,-0.9 3,-2.1 -32,-0.2 -35,-0.1 -0.205 50.4 -75.3 -90.1-174.6 -20.9 -14.1 25.6 827 343 B T T 3> S+ 0 0 45 1,-0.3 4,-2.0 2,-0.2 5,-0.2 0.778 124.1 71.9 -58.9 -23.6 -20.9 -10.2 25.4 828 344 B S H 3> S+ 0 0 42 1,-0.2 4,-2.7 2,-0.2 -1,-0.3 0.749 88.3 62.2 -65.8 -19.6 -17.9 -10.5 23.0 829 345 B Y H <> S+ 0 0 13 -3,-2.1 4,-2.7 2,-0.2 5,-0.2 0.997 109.2 35.7 -71.7 -58.4 -20.1 -11.7 20.2 830 346 B P H > S+ 0 0 0 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.910 120.2 54.3 -58.2 -35.0 -22.5 -8.6 19.9 831 347 B S H X S+ 0 0 27 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.971 111.1 40.9 -65.0 -52.5 -19.4 -6.5 20.7 832 348 B K H X S+ 0 0 100 -4,-2.7 4,-0.7 2,-0.2 -1,-0.2 0.885 115.9 52.2 -62.2 -36.4 -17.2 -7.9 17.9 833 349 B I H >< S+ 0 0 0 -4,-2.7 3,-1.1 -5,-0.2 -2,-0.2 0.943 110.2 46.3 -67.3 -44.3 -20.1 -7.9 15.5 834 350 B E H 3< S+ 0 0 22 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.794 112.8 51.9 -65.5 -27.5 -20.9 -4.2 16.2 835 351 B D H 3< S+ 0 0 104 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.558 77.4 121.4 -83.8 -7.4 -17.2 -3.3 15.9 836 352 B D << - 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