==== 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 19-JUL-10 3O08 . COMPND 2 MOLECULE: HEXOKINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: KLUYVEROMYCES LACTIS; . AUTHOR E.B.KUETTNER,K.KETTNER,A.KEIM,T.M.KRIEGEL,N.STRATER . 950 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39239.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 671 70.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 57 6.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 82 8.6 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 . 57 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 90 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 328 34.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 1.6 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 1 3 0 0 0 0 0 0 0 0 0 0 2 RESIDUES PER ALPHA HELIX . 2 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 1 3 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 15 A S 0 0 118 0, 0.0 605,-0.0 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 6.9 48.9 30.0 84.3 2 16 A M > + 0 0 51 2,-0.1 3,-1.5 3,-0.1 8,-0.0 0.258 360.0 106.1-121.0 9.7 47.2 33.1 82.8 3 17 A A T 3 S+ 0 0 105 1,-0.3 -1,-0.0 3,-0.0 0, 0.0 0.701 80.1 47.2 -72.3 -24.4 45.5 34.1 86.1 4 18 A D T 3 S+ 0 0 91 2,-0.1 -1,-0.3 -3,-0.0 357,-0.1 0.378 84.6 111.8 -96.5 1.9 47.8 37.0 86.8 5 19 A V S < S- 0 0 12 -3,-1.5 5,-0.1 1,-0.1 -3,-0.1 -0.645 76.9-111.8 -73.2 126.3 47.6 38.5 83.2 6 20 A P >> - 0 0 62 0, 0.0 4,-2.4 0, 0.0 3,-1.0 -0.257 23.2-117.3 -62.0 150.1 45.7 41.8 83.2 7 21 A A H 3> S+ 0 0 82 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.795 112.4 58.5 -57.8 -34.4 42.2 41.7 81.5 8 22 A N H 3> S+ 0 0 89 1,-0.2 4,-0.9 2,-0.2 -1,-0.3 0.844 112.2 39.3 -70.0 -34.3 43.2 44.2 78.9 9 23 A L H <> S+ 0 0 6 -3,-1.0 4,-2.0 2,-0.2 -1,-0.2 0.801 112.2 59.2 -74.0 -35.3 46.1 41.9 77.7 10 24 A M H X S+ 0 0 38 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.912 104.4 50.3 -57.4 -45.6 43.8 38.9 78.2 11 25 A E H X S+ 0 0 126 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.878 109.0 50.2 -56.5 -42.6 41.4 40.4 75.7 12 26 A Q H X S+ 0 0 59 -4,-0.9 4,-2.1 1,-0.2 -1,-0.2 0.827 108.9 53.3 -73.6 -32.2 44.1 41.0 73.1 13 27 A I H X S+ 0 0 4 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.875 106.7 50.6 -64.4 -42.4 45.2 37.4 73.6 14 28 A H H X S+ 0 0 82 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.893 109.4 53.3 -63.3 -38.6 41.6 36.1 72.9 15 29 A G H X S+ 0 0 34 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.919 109.3 47.5 -59.1 -51.1 41.7 38.3 69.7 16 30 A L H X S+ 0 0 13 -4,-2.1 4,-2.3 2,-0.2 5,-0.2 0.867 109.0 53.9 -54.8 -42.1 44.9 36.6 68.6 17 31 A E H X S+ 0 0 61 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.912 109.3 50.1 -61.6 -40.6 43.4 33.2 69.4 18 32 A T H < S+ 0 0 117 -4,-2.2 3,-0.3 1,-0.2 -2,-0.2 0.985 115.0 43.0 -54.4 -56.7 40.5 34.3 67.1 19 33 A L H < S+ 0 0 78 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.751 123.2 33.5 -58.8 -37.5 42.9 35.3 64.3 20 34 A F H < S+ 0 0 3 -4,-2.3 2,-0.3 -5,-0.1 -1,-0.2 0.587 87.9 100.8-106.1 -12.1 45.4 32.4 64.5 21 35 A T < - 0 0 87 -4,-1.7 2,-0.6 -3,-0.3 351,-0.0 -0.567 53.0-158.0 -79.3 136.6 43.4 29.2 65.5 22 36 A V - 0 0 4 -2,-0.3 -3,-0.0 4,-0.0 -2,-0.0 -0.963 14.5-144.2-114.3 116.9 42.4 26.9 62.6 23 37 A S > - 0 0 60 -2,-0.6 4,-2.5 1,-0.1 5,-0.2 -0.259 23.8-111.3 -72.4 162.1 39.4 24.7 63.4 24 38 A S H > S+ 0 0 30 2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.876 121.0 54.2 -56.9 -33.6 39.1 21.0 62.3 25 39 A E H > S+ 0 0 151 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.895 107.4 49.4 -75.9 -34.0 36.3 22.2 60.0 26 40 A K H > S+ 0 0 67 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.921 109.6 50.5 -68.7 -43.8 38.5 24.8 58.5 27 41 A M H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.938 110.6 51.5 -55.6 -46.2 41.3 22.3 57.8 28 42 A R H X S+ 0 0 90 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.882 110.6 46.6 -59.6 -45.9 38.8 20.0 56.2 29 43 A S H X S+ 0 0 63 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.905 112.5 50.0 -54.6 -49.1 37.5 22.8 53.9 30 44 A I H X S+ 0 0 0 -4,-2.6 4,-3.2 1,-0.2 5,-0.2 0.959 108.3 54.3 -59.4 -47.5 41.0 23.9 53.0 31 45 A V H X S+ 0 0 4 -4,-2.8 4,-3.0 1,-0.3 5,-0.2 0.922 106.0 52.1 -56.9 -41.6 41.9 20.2 52.2 32 46 A K H X S+ 0 0 152 -4,-1.8 4,-1.7 1,-0.2 -1,-0.3 0.905 113.8 43.3 -62.2 -40.7 38.9 20.0 49.8 33 47 A H H X S+ 0 0 39 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.912 111.6 53.6 -71.5 -40.2 40.0 23.1 47.9 34 48 A F H X S+ 0 0 0 -4,-3.2 4,-2.0 2,-0.2 -2,-0.2 0.917 108.0 51.0 -58.3 -45.2 43.7 21.9 48.0 35 49 A I H X S+ 0 0 34 -4,-3.0 4,-2.5 -5,-0.2 -1,-0.2 0.917 108.5 52.3 -59.6 -43.9 42.6 18.6 46.4 36 50 A S H X S+ 0 0 54 -4,-1.7 4,-2.2 -5,-0.2 -1,-0.2 0.893 110.4 47.7 -58.7 -37.6 40.7 20.5 43.7 37 51 A E H X S+ 0 0 13 -4,-2.0 4,-2.1 2,-0.2 12,-0.3 0.762 107.9 55.0 -77.7 -27.3 43.9 22.5 43.0 38 52 A L H X S+ 0 0 0 -4,-2.0 4,-1.2 2,-0.2 -2,-0.2 0.934 110.6 46.5 -67.7 -44.6 46.0 19.3 42.8 39 53 A D H >X S+ 0 0 81 -4,-2.5 4,-1.0 1,-0.2 3,-0.6 0.930 111.7 52.1 -58.3 -46.4 43.6 18.0 40.2 40 54 A K H >< S+ 0 0 76 -4,-2.2 3,-0.8 1,-0.2 6,-0.5 0.895 105.8 53.9 -59.9 -42.1 43.8 21.4 38.3 41 55 A G H 3< S+ 0 0 2 -4,-2.1 -1,-0.2 1,-0.3 6,-0.2 0.787 110.0 46.5 -67.0 -25.8 47.6 21.4 38.2 42 56 A L H << S+ 0 0 1 -4,-1.2 192,-2.3 -3,-0.6 193,-0.3 0.605 103.6 80.7 -87.3 -18.1 47.7 17.9 36.6 43 57 A S S X< S- 0 0 23 -4,-1.0 3,-0.6 -3,-0.8 4,-0.1 -0.325 93.8-103.4 -81.7 171.0 44.9 18.9 34.0 44 58 A K T 3 S+ 0 0 123 1,-0.2 3,-0.1 -2,-0.1 -1,-0.1 0.937 119.3 56.0 -65.8 -48.6 45.4 20.9 30.8 45 59 A K T 3 S- 0 0 199 1,-0.1 -1,-0.2 0, 0.0 -4,-0.1 0.787 98.3-164.3 -47.4 -26.4 44.0 24.3 31.9 46 60 A G < - 0 0 19 -3,-0.6 2,-0.3 -6,-0.5 -5,-0.2 -0.103 3.0-145.7 62.9-170.1 46.8 23.8 34.7 47 61 A G - 0 0 39 2,-0.3 211,-0.0 -6,-0.2 -10,-0.0 -0.941 37.0 -63.5-169.4-170.1 46.7 26.0 37.9 48 62 A N S S+ 0 0 54 -2,-0.3 209,-0.1 209,-0.1 -11,-0.0 0.668 114.6 74.5 -65.0 -22.5 48.7 27.7 40.6 49 63 A I S S- 0 0 0 -12,-0.3 -2,-0.3 1,-0.1 206,-0.1 -0.875 74.3-153.4 -94.7 119.3 50.1 24.3 41.7 50 64 A P - 0 0 51 0, 0.0 204,-0.2 0, 0.0 -1,-0.1 0.843 10.0-166.2 -62.2 -40.4 52.7 23.1 39.1 51 65 A M - 0 0 0 202,-2.2 202,-0.3 1,-0.2 203,-0.1 0.961 19.1-158.3 54.3 61.3 52.2 19.3 39.8 52 66 A I E -A 252 0A 33 200,-2.7 200,-3.0 1,-0.1 -1,-0.2 -0.619 15.0-122.4 -85.3 118.6 55.4 18.6 37.9 53 67 A P E -A 251 0A 15 0, 0.0 198,-0.2 0, 0.0 95,-0.2 -0.369 18.4-160.0 -52.5 128.7 55.8 15.1 36.5 54 68 A G - 0 0 5 196,-3.5 197,-0.2 2,-0.2 3,-0.1 0.430 27.8-129.6 -94.0 -0.1 59.1 13.6 38.0 55 69 A W + 0 0 7 195,-0.5 2,-0.6 1,-0.2 96,-0.2 0.809 67.2 129.6 54.1 31.4 59.4 10.9 35.3 56 70 A V + 0 0 5 194,-0.3 194,-2.7 1,-0.1 -1,-0.2 -0.986 33.5 179.6-107.3 118.6 59.9 8.2 37.9 57 71 A V + 0 0 7 -2,-0.6 2,-0.3 192,-0.2 192,-0.1 -0.004 53.6 38.7-115.1 30.3 57.3 5.7 36.6 58 72 A E S S- 0 0 55 189,-0.1 192,-0.1 0, 0.0 397,-0.0 -0.962 79.9-104.1-165.0 165.1 57.6 2.8 39.1 59 73 A Y - 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0 0 25 3,-2.6 -2,-0.0 -2,-0.7 26,-0.0 -0.352 46.0 -98.0-106.5-177.1 73.1 23.4 47.3 75 89 A G S S+ 0 0 17 1,-0.1 30,-0.1 -2,-0.1 3,-0.1 0.785 119.9 13.1 -71.4 -28.7 73.5 27.1 47.5 76 90 A T S S+ 0 0 64 1,-0.3 24,-2.7 23,-0.0 2,-0.3 0.549 130.4 25.0-124.1 -20.1 76.8 26.9 49.4 77 91 A N E - H 0 99B 33 22,-0.3 -3,-2.6 2,-0.0 2,-0.3 -0.964 55.9-147.4-139.7 161.9 77.9 23.3 49.2 78 92 A L E -FH 73 98B 2 20,-2.4 20,-2.9 -2,-0.3 2,-0.4 -0.951 10.1-152.1-123.4 161.2 77.6 20.2 47.2 79 93 A R E -FH 72 97B 27 -7,-2.0 -7,-2.6 -2,-0.3 2,-0.4 -0.955 0.3-159.7-122.2 145.8 77.6 16.6 48.2 80 94 A V E -FH 71 96B 0 16,-2.5 16,-2.2 -2,-0.4 2,-0.4 -0.992 17.8-172.4-121.4 130.1 78.8 13.7 46.2 81 95 A V E -FH 70 95B 0 -11,-2.6 -11,-2.4 -2,-0.4 2,-0.6 -0.993 17.6-157.9-130.1 127.3 77.4 10.3 47.4 82 96 A L E -FH 69 94B 17 12,-3.5 12,-2.0 -2,-0.4 2,-0.5 -0.926 18.9-168.1 -96.3 124.4 78.2 6.8 46.3 83 97 A V E -FH 68 93B 0 -15,-3.0 -15,-2.4 -2,-0.6 2,-0.6 -0.956 12.6-166.8-118.0 127.5 75.3 4.5 47.2 84 98 A K E -FH 67 92B 120 8,-2.5 8,-1.9 -2,-0.5 2,-0.5 -0.937 15.8-148.4-107.1 120.2 75.5 0.7 47.1 85 99 A L E -FH 66 91B 3 -19,-2.5 -19,-1.2 -2,-0.6 6,-0.2 -0.761 3.9-159.2 -90.8 127.6 72.1 -0.8 47.3 86 100 A G E -F 65 0B 47 4,-1.6 5,-0.1 -2,-0.5 -21,-0.1 0.505 36.5-118.4 -87.4 -8.1 72.2 -4.3 49.1 87 101 A G S S+ 0 0 21 -23,-0.8 -22,-0.1 3,-0.6 4,-0.1 0.580 94.5 86.6 85.8 7.8 68.9 -5.5 47.7 88 102 A N S S- 0 0 118 2,-0.2 -25,-0.2 -24,-0.1 3,-0.1 -0.426 122.0 -76.6-131.9 62.5 67.0 -5.9 50.9 89 103 A H S S+ 0 0 67 -27,-2.3 2,-0.3 1,-0.2 -26,-0.1 0.796 107.2 115.5 51.9 26.5 65.6 -2.3 51.4 90 104 A D + 0 0 73 -28,-0.4 -4,-1.6 2,-0.0 -3,-0.6 -0.839 41.6 177.1-126.7 163.7 69.2 -1.5 52.5 91 105 A F E -H 85 0B 44 -2,-0.3 2,-0.4 -6,-0.2 -6,-0.2 -0.992 21.5-143.1-161.5 162.7 72.1 0.6 51.5 92 106 A D E -H 84 0B 69 -8,-1.9 -8,-2.5 -2,-0.3 2,-0.4 -0.975 21.6-158.6-129.9 143.7 75.5 1.7 52.2 93 107 A T E -H 83 0B 6 -2,-0.4 2,-0.4 -10,-0.2 -10,-0.2 -0.958 14.3-172.9-127.9 148.5 76.7 5.3 51.4 94 108 A T E +H 82 0B 10 -12,-2.0 -12,-3.5 -2,-0.4 2,-0.4 -0.991 27.5 170.9-137.0 121.3 80.1 6.8 50.9 95 109 A Q E -H 81 0B 9 724,-0.4 726,-2.9 -2,-0.4 727,-0.4 -0.991 26.1-166.3-147.2 148.4 80.0 10.6 50.7 96 110 A N E -H 80 0B 4 -16,-2.2 -16,-2.5 -2,-0.4 2,-0.4 -0.909 14.3-147.4-124.5 154.1 82.1 13.9 50.6 97 111 A K E -H 79 0B 49 -2,-0.3 2,-0.5 -18,-0.2 -18,-0.2 -0.970 12.2-167.1-125.1 135.8 80.9 17.4 51.0 98 112 A Y E -H 78 0B 28 -20,-2.9 -20,-2.4 -2,-0.4 2,-0.3 -0.982 17.8-132.5-130.5 123.7 82.6 20.3 49.1 99 113 A R E -H 77 0B 141 -2,-0.5 -22,-0.3 -22,-0.2 -23,-0.0 -0.531 27.8-118.3 -73.7 131.4 82.1 24.0 49.8 100 114 A L - 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D 0 251A 0 26,-1.5 26,-3.2 -2,-0.3 2,-0.6 -0.932 44.8 -86.8-156.4 172.6 53.8 11.5 45.8 226 240 A Y E + D 0 250A 8 -14,-0.5 24,-0.3 -2,-0.3 2,-0.2 -0.835 41.9 172.8 -93.2 119.5 52.9 8.9 43.1 227 241 A D E - D 0 249A 3 22,-3.4 22,-2.2 -2,-0.6 2,-0.3 -0.334 32.6-108.3 -96.2-161.5 50.0 9.7 40.9 228 242 A V E > - D 0 248A 31 20,-0.3 3,-1.6 -2,-0.2 18,-0.1 -0.963 18.4-121.0-135.2 149.1 48.9 7.6 37.9 229 243 A V G > S+ 0 0 13 18,-2.6 3,-1.9 -2,-0.3 6,-0.2 0.846 109.5 60.8 -64.4 -38.9 49.3 8.6 34.2 230 244 A S G 3 S+ 0 0 75 15,-1.9 -1,-0.3 1,-0.3 16,-0.1 0.742 102.4 56.8 -59.1 -19.8 45.6 8.3 33.4 231 245 A G G < S+ 0 0 34 -3,-1.6 2,-0.4 14,-0.2 -1,-0.3 0.225 89.6 79.1 -96.1 18.1 45.0 11.1 36.0 232 246 A I X + 0 0 1 -3,-1.9 3,-2.0 1,-0.1 4,-0.4 -0.740 53.4 174.7-126.6 75.5 47.4 13.5 34.3 233 247 A E G > S+ 0 0 78 -2,-0.4 3,-1.2 1,-0.3 -190,-0.2 0.758 73.4 70.5 -54.6 -23.3 45.3 14.9 31.5 234 248 A K G 3 S+ 0 0 58 -192,-2.3 -1,-0.3 1,-0.3 -191,-0.1 0.678 96.4 52.9 -76.2 -11.1 48.2 17.4 30.6 235 249 A L G X> S+ 0 0 10 -3,-2.0 3,-2.2 -193,-0.3 4,-0.8 0.509 78.9 121.4 -93.3 -7.2 50.3 14.4 29.4 236 250 A E T <4 S+ 0 0 116 -3,-1.2 -3,-0.0 -4,-0.4 -6,-0.0 -0.345 83.1 13.0 -58.4 129.5 47.6 13.1 27.0 237 251 A G T 34 S+ 0 0 62 2,-0.1 -1,-0.3 -2,-0.1 -2,-0.1 0.298 117.5 76.4 88.8 -8.9 49.0 13.1 23.4 238 252 A L T <4 S+ 0 0 79 -3,-2.2 231,-2.6 2,-0.1 -2,-0.2 0.568 73.1 90.9-109.5 -15.6 52.5 13.6 24.6 239 253 A L S < S- 0 0 29 -4,-0.8 229,-0.1 229,-0.2 -2,-0.1 -0.613 71.6-123.4 -92.0 139.7 53.4 10.1 26.0 240 254 A P > - 0 0 22 0, 0.0 3,-2.0 0, 0.0 -2,-0.1 -0.447 37.8-103.1 -69.9 160.3 55.1 7.2 24.1 241 255 A E T 3 S+ 0 0 194 1,-0.3 -2,-0.0 -2,-0.1 228,-0.0 0.792 116.0 66.4 -58.2 -28.2 53.1 3.9 24.1 242 256 A D T 3 S+ 0 0 69 1,-0.2 2,-0.4 2,-0.1 -1,-0.3 0.360 91.8 62.6 -81.9 5.9 55.4 2.3 26.7 243 257 A I S < S- 0 0 5 -3,-2.0 -1,-0.2 221,-0.0 -4,-0.1 -0.806 85.6-179.8-119.0 89.1 54.3 4.8 29.4 244 258 A G > - 0 0 26 -2,-0.4 3,-2.0 1,-0.1 -15,-0.3 -0.198 42.4 -88.0 -95.0-179.2 50.6 3.7 29.4 245 259 A P T 3 S+ 0 0 88 0, 0.0 -15,-1.9 0, 0.0 -14,-0.2 0.721 121.6 53.4 -67.7 -18.6 47.6 4.9 31.4 246 260 A D T 3 S+ 0 0 148 -17,-0.2 -2,-0.0 -18,-0.1 -3,-0.0 0.438 82.8 119.3 -93.6 3.3 48.1 2.5 34.4 247 261 A S < - 0 0 21 -3,-2.0 -18,-2.6 -19,-0.1 -17,-0.2 -0.464 67.3-121.5 -69.7 136.4 51.7 3.6 34.9 248 262 A P E - D 0 228A 25 0, 0.0 2,-0.3 0, 0.0 -20,-0.3 -0.337 28.0-164.3 -58.3 153.8 52.6 5.2 38.3 249 263 A M E - D 0 227A 0 -22,-2.2 -22,-3.4 -192,-0.1 2,-0.2 -0.873 14.8-136.6-147.4 117.0 54.1 8.7 38.0 250 264 A A E - D 0 226A 0 -194,-2.7 -196,-3.5 -2,-0.3 -195,-0.5 -0.518 24.3-156.4 -68.4 134.6 55.9 10.5 40.7 251 265 A I E -AD 53 225A 0 -26,-3.2 -26,-1.5 -198,-0.2 2,-0.8 -0.968 17.3-152.5-115.8 129.7 54.8 14.1 41.0 252 266 A N E -AD 52 224A 12 -200,-3.0 -200,-2.7 -2,-0.4 -28,-0.2 -0.906 18.9-165.4 -92.3 105.0 56.8 17.0 42.5 253 267 A C - 0 0 0 -30,-2.5 -202,-2.2 -2,-0.8 -1,-0.2 0.882 6.3-160.8 -61.2 -41.9 53.8 19.2 43.6 254 268 A E > + 0 0 49 -31,-0.5 3,-1.1 -204,-0.2 -32,-0.1 0.881 26.3 166.6 49.8 46.1 55.7 22.5 44.2 255 269 A Y G > + 0 0 1 1,-0.3 3,-2.1 -32,-0.2 -33,-0.1 0.316 42.2 101.4 -82.1 15.9 52.7 23.4 46.2 256 270 A G G 3 S+ 0 0 0 -35,-0.4 31,-2.2 1,-0.3 30,-1.0 0.708 83.0 60.0 -63.1 -17.0 54.1 26.4 48.0 257 271 A S G X S+ 0 0 7 -3,-1.1 3,-1.5 27,-0.2 -1,-0.3 0.398 74.4 133.3 -97.0 9.0 52.0 28.2 45.4 258 272 A F T < S+ 0 0 0 -3,-2.1 28,-0.6 1,-0.3 29,-0.1 -0.303 76.9 5.4 -58.6 129.5 48.7 26.7 46.6 259 273 A D T > + 0 0 1 26,-0.1 3,-2.4 1,-0.1 -1,-0.3 0.738 69.3 151.2 63.1 33.8 46.0 29.4 46.9 260 274 A N T < S+ 0 0 17 -3,-1.5 -2,-0.1 1,-0.3 -1,-0.1 0.780 74.0 67.8 -48.9 -29.3 47.9 32.4 45.5 261 275 A E T 3 S- 0 0 120 1,-0.0 -1,-0.3 0, 0.0 -2,-0.1 0.574 106.0-134.5 -68.6 -15.8 44.4 33.4 44.5 262 276 A H < + 0 0 66 -3,-2.4 -2,-0.1 1,-0.1 -3,-0.0 0.884 60.4 134.7 61.4 50.3 43.7 33.9 48.3 263 277 A L S S+ 0 0 103 -4,-0.1 -1,-0.1 3,-0.0 -3,-0.1 0.659 78.9 4.4 -97.4 -21.4 40.3 32.1 48.3 264 278 A V S S+ 0 0 26 -5,-0.2 -234,-0.1 -234,-0.0 -235,-0.0 0.621 90.4 104.7-140.2 -32.0 40.7 29.8 51.4 265 279 A L S S- 0 0 13 -6,-0.2 2,-2.0 1,-0.1 21,-0.0 -0.363 73.5-119.1 -67.5 143.4 43.9 30.3 53.5 266 280 A P - 0 0 37 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.422 41.7-178.2 -86.8 65.1 43.2 32.2 56.7 267 281 A R - 0 0 74 -2,-2.0 2,-0.1 4,-0.1 -247,-0.0 -0.479 10.3-156.2 -71.4 133.3 45.5 35.2 56.1 268 282 A T > - 0 0 7 -2,-0.2 4,-1.9 1,-0.1 5,-0.1 -0.372 39.0 -97.1 -93.9 174.8 45.7 37.8 58.8 269 283 A K H > S+ 0 0 111 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.845 127.4 59.6 -63.9 -27.5 46.7 41.4 58.3 270 284 A Y H > S+ 0 0 15 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.898 105.4 46.2 -67.2 -42.7 50.2 40.2 59.4 271 285 A D H > S+ 0 0 9 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.880 109.2 56.3 -62.5 -37.7 50.4 37.7 56.6 272 286 A V H X S+ 0 0 43 -4,-1.9 4,-3.2 2,-0.2 -2,-0.2 0.920 110.1 44.6 -63.0 -45.2 49.1 40.4 54.1 273 287 A I H X S+ 0 0 47 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.944 111.0 52.9 -61.5 -51.0 52.0 42.6 55.2 274 288 A I H X S+ 0 0 2 -4,-2.3 4,-0.5 2,-0.2 -2,-0.2 0.940 115.2 42.6 -50.5 -46.0 54.5 39.7 55.0 275 289 A D H >< S+ 0 0 12 -4,-3.0 3,-1.3 1,-0.2 -2,-0.2 0.951 113.3 51.8 -66.7 -52.0 53.3 39.1 51.4 276 290 A E H 3< S+ 0 0 130 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.824 115.2 41.2 -51.6 -36.7 53.2 42.7 50.5 277 291 A E H 3< S+ 0 0 125 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.408 95.2 105.1 -97.8 2.5 56.8 43.3 51.7 278 292 A S S << S- 0 0 11 -3,-1.3 -3,-0.0 -4,-0.5 -4,-0.0 -0.382 87.9-103.0 -76.9 162.7 58.2 40.1 50.2 279 293 A P S S+ 0 0 130 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.756 117.6 29.7 -51.7 -25.7 60.4 39.8 47.1 280 294 A R S > S- 0 0 96 -5,-0.1 3,-2.0 3,-0.1 -3,-0.1 -0.633 79.9-158.2-140.8 82.3 57.3 38.5 45.2 281 295 A P T 3 S+ 0 0 77 0, 0.0 -5,-0.1 0, 0.0 3,-0.1 -0.345 82.3 23.7 -66.1 143.9 54.0 39.8 46.4 282 296 A G T 3 S+ 0 0 23 1,-0.3 3,-0.3 2,-0.0 2,-0.2 0.344 105.9 102.9 87.5 -7.5 51.1 37.5 45.5 283 297 A Q S < S+ 0 0 75 -3,-2.0 -1,-0.3 1,-0.2 5,-0.1 -0.614 72.8 14.3-107.0 167.5 53.3 34.5 45.1 284 298 A Q > + 0 0 41 -2,-0.2 4,-2.6 1,-0.1 -27,-0.2 0.820 67.7 164.4 44.1 45.0 54.1 31.4 47.2 285 299 A A H > S+ 0 0 4 -3,-0.3 4,-1.6 1,-0.2 -28,-0.2 0.902 72.3 46.8 -62.0 -41.7 51.0 32.0 49.5 286 300 A F H > S+ 0 0 1 -30,-1.0 4,-0.7 -28,-0.6 -1,-0.2 0.929 112.8 50.5 -71.0 -39.4 50.9 28.5 51.0 287 301 A E H >> S+ 0 0 39 -31,-2.2 4,-3.1 1,-0.2 3,-1.1 0.928 108.6 51.1 -58.2 -42.3 54.6 28.6 51.6 288 302 A K H 3< S+ 0 0 16 -4,-2.6 -1,-0.2 -32,-0.4 -2,-0.2 0.820 111.9 49.3 -67.5 -26.6 54.3 32.0 53.3 289 303 A M H 3< S+ 0 0 6 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.531 127.1 21.2 -85.3 -8.7 51.6 30.5 55.5 290 304 A T H << S+ 0 0 2 -3,-1.1 -2,-0.2 -4,-0.7 -3,-0.2 0.572 89.8 106.5-133.0 -21.3 53.5 27.4 56.5 291 305 A S >< - 0 0 0 -4,-3.1 3,-1.3 -5,-0.2 4,-0.2 -0.423 65.6-132.6 -71.2 143.9 57.2 27.8 56.1 292 306 A G G >> S+ 0 0 0 -74,-1.6 3,-1.1 1,-0.2 4,-0.5 0.685 97.0 80.3 -59.5 -24.3 59.3 28.2 59.2 293 307 A Y G 34 S+ 0 0 105 -75,-0.4 4,-0.3 1,-0.2 -1,-0.2 0.805 97.8 39.0 -59.8 -27.9 61.1 31.1 57.6 294 308 A Y G <> S+ 0 0 22 -3,-1.3 4,-2.4 1,-0.1 -1,-0.2 0.445 86.1 94.9-102.0 0.3 58.2 33.5 58.5 295 309 A L H <> S+ 0 0 5 -3,-1.1 4,-2.0 1,-0.2 -1,-0.1 0.936 90.0 43.2 -69.7 -40.5 57.2 32.4 62.0 296 310 A G H X S+ 0 0 0 -4,-0.5 4,-3.1 2,-0.2 -1,-0.2 0.866 112.7 55.1 -68.5 -31.6 59.3 34.9 63.8 297 311 A E H > S+ 0 0 0 -4,-0.3 4,-2.2 2,-0.2 5,-0.2 0.889 104.9 52.9 -66.3 -38.7 58.2 37.7 61.3 298 312 A I H X S+ 0 0 2 -4,-2.4 4,-2.0 2,-0.2 5,-0.2 0.974 112.5 46.0 -60.6 -48.0 54.6 36.9 62.1 299 313 A M H X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 5,-0.2 0.937 109.7 53.5 -57.0 -51.0 55.5 37.3 65.8 300 314 A R H X S+ 0 0 9 -4,-3.1 4,-2.8 1,-0.2 -1,-0.2 0.897 110.2 46.3 -52.0 -47.8 57.4 40.5 65.2 301 315 A L H X S+ 0 0 19 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.878 111.9 50.9 -66.4 -39.9 54.5 42.3 63.3 302 316 A V H X S+ 0 0 0 -4,-2.0 4,-2.6 -5,-0.2 -2,-0.2 0.931 113.4 45.0 -62.5 -46.5 51.9 41.2 65.9 303 317 A L H X S+ 0 0 0 -4,-2.7 4,-3.4 2,-0.2 5,-0.2 0.923 111.2 52.1 -63.9 -45.5 54.1 42.6 68.8 304 318 A L H X S+ 0 0 27 -4,-2.8 4,-2.8 -5,-0.2 5,-0.2 0.924 111.3 49.8 -55.3 -41.1 54.9 45.8 66.9 305 319 A D H X S+ 0 0 38 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.934 112.0 46.1 -61.9 -48.1 51.0 46.1 66.4 306 320 A L H <>S+ 0 0 10 -4,-2.6 5,-2.1 1,-0.2 6,-0.6 0.890 114.7 48.8 -64.6 -37.9 50.4 45.5 70.2 307 321 A Y H ><5S+ 0 0 68 -4,-3.4 3,-1.5 2,-0.2 -2,-0.2 0.928 109.0 50.4 -65.2 -46.7 53.2 48.0 71.0 308 322 A D H 3<5S+ 0 0 101 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.826 109.7 54.4 -67.5 -27.9 51.9 50.7 68.6 309 323 A S T 3<5S- 0 0 74 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.513 118.9-110.0 -83.0 -5.5 48.5 50.2 70.2 310 324 A G T < 5S+ 0 0 47 -3,-1.5 -3,-0.2 -4,-0.4 -2,-0.1 0.468 86.0 111.8 102.1 0.2 49.8 50.8 73.7 311 325 A F S - 0 0 1 -2,-0.3 3,-2.3 1,-0.2 -1,-0.1 0.783 68.3-166.4 60.4 34.8 56.7 47.3 75.8 314 328 A K T 3 S- 0 0 128 1,-0.3 -1,-0.2 -3,-0.1 -7,-0.0 -0.288 71.6 -2.8 -51.1 124.2 55.8 50.7 77.3 315 329 A D T 3 S+ 0 0 159 1,-0.2 -1,-0.3 -2,-0.0 2,-0.1 0.523 101.0 138.1 68.6 11.0 58.9 53.0 77.1 316 330 A Q < - 0 0 51 -3,-2.3 2,-0.8 1,-0.1 -1,-0.2 -0.462 66.7-100.9 -82.0 154.6 61.1 50.2 75.5 317 331 A D + 0 0 61 38,-0.5 3,-0.3 1,-0.2 4,-0.2 -0.669 41.1 178.2 -69.4 110.5 63.6 50.7 72.6 318 332 A I >> + 0 0 12 -2,-0.8 4,-0.9 1,-0.2 3,-0.5 0.433 47.6 106.9 -98.5 -1.2 61.5 49.3 69.8 319 333 A S T 34 S+ 0 0 58 1,-0.2 3,-0.2 2,-0.2 4,-0.2 0.798 81.6 44.0 -50.0 -38.8 64.2 50.1 67.1 320 334 A K T >4 S+ 0 0 83 34,-0.4 3,-1.1 -3,-0.3 -1,-0.2 0.810 106.1 59.8 -80.0 -28.2 65.2 46.4 66.6 321 335 A L T <4 S+ 0 0 0 -3,-0.5 -1,-0.2 33,-0.3 -2,-0.2 0.712 99.2 62.3 -66.4 -20.8 61.6 45.0 66.5 322 336 A K T 3< S+ 0 0 131 -4,-0.9 2,-0.6 -3,-0.2 -1,-0.2 0.606 80.2 98.4 -80.7 -14.4 61.2 47.3 63.5 323 337 A E S X S- 0 0 100 -3,-1.1 3,-2.1 -4,-0.2 4,-0.3 -0.660 81.0-122.5 -78.7 115.2 63.8 45.5 61.4 324 338 A A T 3 S+ 0 0 55 -2,-0.6 -2,-0.1 1,-0.3 -1,-0.1 -0.301 92.7 9.1 -58.1 137.0 62.1 43.0 59.1 325 339 A Y T 3 S+ 0 0 69 2,-0.1 -1,-0.3 1,-0.1 -28,-0.1 0.527 83.8 128.8 69.0 9.4 63.3 39.4 59.6 326 340 A V < + 0 0 42 -3,-2.1 2,-0.8 -6,-0.2 -2,-0.1 0.838 69.2 58.7 -52.8 -36.5 65.2 40.3 62.8 327 341 A M S S- 0 0 0 -4,-0.3 -27,-0.2 -6,-0.1 -1,-0.2 -0.874 76.4-175.6-101.2 108.8 63.4 37.3 64.4 328 342 A D > - 0 0 85 -2,-0.8 3,-1.8 -32,-0.2 -35,-0.1 -0.180 49.4 -76.2 -89.0-165.2 64.0 34.1 62.6 329 343 A T T 3> S+ 0 0 30 1,-0.3 4,-2.1 2,-0.2 5,-0.1 0.710 122.1 75.2 -67.8 -24.4 62.5 30.7 63.4 330 344 A S H 3> S+ 0 0 40 2,-0.2 4,-2.6 3,-0.2 -1,-0.3 0.690 88.0 63.2 -62.1 -16.9 64.7 30.3 66.4 331 345 A Y H <> S+ 0 0 13 -3,-1.8 4,-2.8 2,-0.2 5,-0.3 0.993 108.3 35.5 -73.5 -65.7 62.5 32.9 68.3 332 346 A P H > S+ 0 0 0 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.883 120.9 52.7 -54.2 -34.9 59.2 31.0 68.3 333 347 A S H X S+ 0 0 23 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.984 113.2 40.0 -62.8 -57.9 61.2 27.8 68.7 334 348 A K H X S+ 0 0 104 -4,-2.6 4,-0.5 1,-0.2 -1,-0.2 0.827 117.4 52.0 -59.5 -31.5 63.2 28.9 71.8 335 349 A I H >< S+ 0 0 0 -4,-2.8 3,-1.3 -5,-0.2 -1,-0.2 0.954 109.7 45.8 -74.4 -50.3 60.1 30.6 73.2 336 350 A E H 3< S+ 0 0 26 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.2 0.861 116.6 49.9 -58.0 -32.1 57.8 27.5 72.9 337 351 A D H 3< S+ 0 0 103 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.537 75.7 124.7 -85.5 -6.8 60.7 25.5 74.4 338 352 A D << - 0 0 4 -3,-1.3 5,-0.1 -4,-0.5 -3,-0.0 -0.370 40.3-169.4 -57.2 119.9 61.4 27.8 77.4 339 353 A P + 0 0 58 0, 0.0 238,-0.6 0, 0.0 2,-0.3 0.430 49.4 108.5 -92.1 0.9 61.1 25.5 80.5 340 354 A F B > -n 577 0F 15 1,-0.1 3,-1.9 236,-0.1 238,-0.2 -0.619 67.7-139.6 -90.8 136.5 61.2 28.3 83.1 341 355 A E T 3 S+ 0 0 57 236,-3.0 -1,-0.1 -2,-0.3 237,-0.1 0.903 111.3 41.0 -55.8 -42.6 58.1 29.3 85.1 342 356 A N T 3 S- 0 0 48 235,-0.5 -1,-0.3 -3,-0.0 5,-0.1 0.220 117.0-116.3 -91.6 12.1 59.1 33.0 84.6 343 357 A L <> + 0 0 14 -3,-1.9 4,-2.2 1,-0.1 -2,-0.1 0.937 47.6 172.6 55.4 58.3 60.1 32.3 81.0 344 358 A E H > S+ 0 0 42 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.828 73.2 54.7 -71.1 -27.9 63.7 33.1 81.6 345 359 A D H > S+ 0 0 48 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.910 107.8 47.9 -66.8 -43.8 64.7 32.0 78.0 346 360 A T H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.909 110.8 54.0 -63.9 -47.0 62.1 34.3 76.4 347 361 A D H X S+ 0 0 10 -4,-2.2 4,-2.7 2,-0.2 5,-0.3 0.933 108.0 48.3 -50.1 -54.8 63.5 37.1 78.7 348 362 A D H X>S+ 0 0 54 -4,-2.4 4,-2.8 1,-0.2 5,-0.5 0.935 110.6 53.0 -49.1 -50.1 67.2 36.5 77.5 349 363 A L H X>S+ 0 0 7 -4,-2.1 4,-2.3 1,-0.2 5,-0.8 0.942 114.4 38.6 -56.1 -56.7 66.1 36.5 73.9 350 364 A F H X5S+ 0 0 0 -4,-2.3 6,-2.4 3,-0.2 4,-1.1 0.925 121.7 44.2 -67.1 -41.1 64.2 39.9 74.0 351 365 A K H X5S+ 0 0 84 -4,-2.7 4,-1.0 4,-0.3 -2,-0.2 0.978 122.4 33.4 -61.3 -62.4 66.8 41.6 76.3 352 366 A T H <5S+ 0 0 112 -4,-2.8 -3,-0.2 -5,-0.3 -2,-0.2 0.845 131.4 28.7 -66.4 -41.3 70.0 40.5 74.7 353 367 A N H < - 0 0 72 -2,-0.2 4,-1.6 1,-0.1 5,-0.2 -0.585 37.1-102.9 -94.8 170.7 57.4 41.9 82.4 360 374 A V H > S+ 0 0 47 1,-0.2 4,-2.1 -2,-0.2 3,-0.1 0.906 121.8 51.0 -60.4 -45.6 56.3 38.3 83.2 361 375 A V H > S+ 0 0 28 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.886 108.3 52.2 -64.6 -36.0 52.8 38.9 81.9 362 376 A E H > S+ 0 0 16 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.814 108.8 51.5 -67.3 -30.6 54.2 40.2 78.5 363 377 A R H X S+ 0 0 18 -4,-1.6 4,-2.9 2,-0.2 -2,-0.2 0.856 107.4 53.2 -70.0 -36.3 56.4 37.0 78.3 364 378 A K H X S+ 0 0 29 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.931 110.4 46.3 -59.8 -45.9 53.2 35.0 78.9 365 379 A L H X S+ 0 0 1 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.912 112.9 50.6 -62.1 -44.6 51.6 36.8 76.0 366 380 A I H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.925 111.1 48.1 -59.7 -47.8 54.7 36.3 73.9 367 381 A R H X S+ 0 0 57 -4,-2.9 4,-2.3 2,-0.2 -1,-0.2 0.925 110.8 50.0 -58.8 -45.8 54.7 32.6 74.7 368 382 A K H X S+ 0 0 51 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.944 110.7 51.9 -60.6 -42.4 51.0 32.2 73.9 369 383 A L H X S+ 0 0 1 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.925 107.7 50.7 -55.7 -47.3 51.7 34.0 70.6 370 384 A A H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.908 110.5 50.2 -59.2 -40.7 54.6 31.6 69.7 371 385 A E H X S+ 0 0 61 -4,-2.3 4,-2.6 2,-0.2 5,-0.3 0.925 109.9 48.9 -64.4 -49.9 52.4 28.7 70.4 372 386 A L H X S+ 0 0 16 -4,-2.4 4,-3.0 2,-0.2 5,-0.2 0.925 114.7 47.0 -46.7 -51.4 49.5 30.0 68.2 373 387 A V H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.945 114.8 43.5 -59.3 -54.0 51.9 30.6 65.4 374 388 A G H X S+ 0 0 1 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.894 117.6 46.8 -56.8 -46.3 53.7 27.3 65.6 375 389 A T H X S+ 0 0 49 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.909 110.7 51.6 -68.3 -42.1 50.4 25.4 65.9 376 390 A R H X S+ 0 0 5 -4,-3.0 4,-2.6 -5,-0.3 5,-0.2 0.935 109.7 51.2 -58.2 -41.1 48.8 27.3 63.0 377 391 A A H X S+ 0 0 2 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.899 110.6 46.9 -66.2 -45.6 51.8 26.5 60.8 378 392 A A H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.868 111.3 52.7 -60.2 -39.2 51.6 22.7 61.6 379 393 A R H X S+ 0 0 29 -4,-2.4 4,-0.7 1,-0.2 -2,-0.2 0.925 112.2 43.0 -72.9 -40.6 47.9 22.7 61.0 380 394 A L H >X S+ 0 0 0 -4,-2.6 3,-0.8 -5,-0.2 4,-0.7 0.899 110.3 58.4 -69.1 -37.6 48.1 24.3 57.6 381 395 A T H >X S+ 0 0 6 -4,-2.5 3,-1.3 -5,-0.2 4,-0.9 0.919 103.3 52.0 -53.9 -43.3 51.1 22.1 56.7 382 396 A V H 3X S+ 0 0 1 -4,-2.2 4,-3.4 1,-0.3 5,-0.2 0.664 92.0 74.7 -76.8 -13.6 49.1 18.9 57.3 383 397 A C H S+ 0 0 1 -4,-2.5 5,-2.7 1,-0.2 4,-0.7 0.931 116.6 43.4 -65.6 -45.2 46.1 11.2 50.9 390 404 A D H <5S+ 0 0 74 -4,-3.2 3,-0.5 -5,-0.2 -1,-0.2 0.913 112.3 53.2 -69.6 -34.4 42.4 12.0 50.2 391 405 A K H <5S+ 0 0 41 -4,-2.9 -1,-0.2 -5,-0.3 -2,-0.2 0.906 119.1 34.7 -61.2 -44.6 43.1 12.7 46.5 392 406 A R H <5S- 0 0 73 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.409 113.3-113.7 -90.8 -3.3 44.7 9.2 46.1 393 407 A G T <5 + 0 0 56 -4,-0.7 2,-0.9 -3,-0.5 -3,-0.2 0.794 55.4 161.6 73.9 31.7 42.5 7.4 48.6 394 408 A Y < + 0 0 43 -5,-2.7 -1,-0.2 -6,-0.2 -2,-0.1 -0.739 13.6 171.9 -85.8 108.4 45.3 6.6 51.2 395 409 A K S S+ 0 0 177 -2,-0.9 2,-0.4 1,-0.2 -1,-0.2 0.708 76.0 33.8 -79.8 -27.0 43.5 5.8 54.4 396 410 A T S S+ 0 0 85 -3,-0.1 2,-0.3 -7,-0.1 40,-0.3 -0.974 76.4 153.0-123.6 151.8 46.9 4.8 55.9 397 411 A A E - 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0 0 38 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.426 41.1-176.3 -85.4 76.9 96.2 4.4 82.1 747 281 B R - 0 0 70 -2,-1.9 2,-0.1 4,-0.1 22,-0.0 -0.492 8.8-157.3 -70.8 127.4 97.4 8.0 82.2 748 282 B T > - 0 0 10 -2,-0.3 4,-1.8 1,-0.1 5,-0.1 -0.397 41.6 -94.6 -88.4 174.0 99.2 9.4 79.2 749 283 B K H > S+ 0 0 111 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.787 129.2 59.2 -60.0 -26.6 101.5 12.5 79.4 750 284 B Y H > S+ 0 0 13 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.918 102.7 48.8 -69.1 -45.0 98.3 14.4 78.3 751 285 B D H > S+ 0 0 6 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.868 110.0 54.7 -59.7 -35.1 96.3 13.2 81.3 752 286 B V H X S+ 0 0 47 -4,-1.8 4,-3.1 2,-0.2 -2,-0.2 0.931 107.4 47.2 -67.4 -46.5 99.3 14.3 83.5 753 287 B I H X S+ 0 0 49 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.930 113.1 51.4 -56.6 -46.7 99.3 17.9 82.0 754 288 B I H < S+ 0 0 3 -4,-2.3 4,-0.5 2,-0.2 -2,-0.2 0.946 112.3 45.2 -55.6 -50.3 95.5 18.0 82.6 755 289 B D H >< S+ 0 0 11 -4,-2.7 3,-1.6 1,-0.2 -2,-0.2 0.964 112.4 50.7 -62.3 -53.3 95.8 16.9 86.2 756 290 B E H 3< S+ 0 0 130 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.843 115.3 41.0 -56.6 -36.9 98.7 19.3 87.0 757 291 B E T 3< S+ 0 0 119 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.345 95.2 104.2 -99.0 13.2 97.0 22.4 85.6 758 292 B S S < S- 0 0 13 -3,-1.6 -3,-0.1 -4,-0.5 -4,-0.0 -0.256 87.9-106.6 -75.4 166.3 93.5 21.5 87.1 759 293 B P S S+ 0 0 129 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.754 116.4 36.0 -68.1 -21.1 92.2 23.3 90.2 760 294 B R S > S- 0 0 130 -5,-0.1 3,-2.0 3,-0.1 2,-0.1 -0.676 82.6-158.6-131.9 74.8 92.8 20.2 92.4 761 295 B P T 3 S+ 0 0 81 0, 0.0 -5,-0.1 0, 0.0 3,-0.1 -0.358 81.2 17.3 -53.0 126.1 96.1 18.4 91.1 762 296 B G T 3 S+ 0 0 24 1,-0.3 3,-0.3 -2,-0.1 2,-0.2 0.382 108.2 103.6 91.4 -4.4 96.1 14.8 92.2 763 297 B Q S < S+ 0 0 94 -3,-2.0 -1,-0.3 1,-0.2 -3,-0.1 -0.647 70.9 19.9-109.9 161.1 92.4 14.7 93.0 764 298 B Q > + 0 0 53 -2,-0.2 4,-2.5 1,-0.1 -27,-0.2 0.843 68.2 165.2 56.4 42.3 89.4 13.3 91.1 765 299 B A H > S+ 0 0 2 -3,-0.3 4,-1.1 -28,-0.2 -28,-0.2 0.863 72.1 44.7 -65.1 -37.5 91.6 10.9 89.1 766 300 B F H > S+ 0 0 1 -30,-1.3 4,-1.4 -28,-0.6 3,-0.3 0.911 111.9 52.5 -75.8 -38.6 88.8 8.7 87.8 767 301 B E H > S+ 0 0 36 -31,-2.0 4,-2.7 1,-0.2 3,-0.3 0.898 107.2 54.3 -59.6 -41.8 86.6 11.7 86.9 768 302 B K H < S+ 0 0 18 -4,-2.5 -1,-0.2 -32,-0.4 -2,-0.2 0.815 111.8 43.9 -62.9 -29.7 89.5 13.1 84.9 769 303 B M H < S+ 0 0 5 -4,-1.1 -1,-0.2 -3,-0.3 -2,-0.2 0.638 127.4 26.3 -91.8 -13.7 89.8 9.9 82.9 770 304 B T H < S+ 0 0 1 -4,-1.4 -2,-0.2 -3,-0.3 -3,-0.2 0.639 90.2 104.9-121.3 -18.0 86.1 9.3 82.3 771 305 B S >< - 0 0 1 -4,-2.7 3,-1.3 -5,-0.2 4,-0.3 -0.409 66.7-132.1 -71.0 141.5 84.2 12.7 82.3 772 306 B G G >> S+ 0 0 1 -74,-2.0 3,-1.1 1,-0.2 4,-0.5 0.746 98.1 76.8 -56.9 -22.9 83.1 14.4 79.1 773 307 B Y G 34 S+ 0 0 110 -75,-0.4 4,-0.3 1,-0.3 -1,-0.2 0.730 97.0 41.9 -65.1 -24.9 84.6 17.7 80.2 774 308 B Y G <> S+ 0 0 24 -3,-1.3 4,-2.9 1,-0.1 -1,-0.3 0.509 87.5 91.4-103.0 -6.1 88.2 16.6 79.5 775 309 B L H <> S+ 0 0 5 -3,-1.1 4,-1.9 -4,-0.3 -2,-0.1 0.926 92.0 41.7 -64.9 -45.6 87.7 14.9 76.1 776 310 B G H X S+ 0 0 0 -4,-0.5 4,-3.3 2,-0.2 -1,-0.3 0.875 113.7 54.6 -64.7 -38.8 88.3 18.0 73.9 777 311 B E H > S+ 0 0 0 -4,-0.3 4,-2.3 2,-0.2 5,-0.2 0.911 105.4 52.3 -66.4 -40.0 91.2 19.1 76.2 778 312 B I H X S+ 0 0 2 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.956 112.2 46.8 -56.9 -47.7 92.9 15.7 75.7 779 313 B M H X S+ 0 0 0 -4,-1.9 4,-2.6 1,-0.2 5,-0.3 0.932 109.2 54.1 -58.3 -50.9 92.5 16.3 72.0 780 314 B R H X S+ 0 0 8 -4,-3.3 4,-1.9 1,-0.2 -1,-0.2 0.906 110.7 45.1 -48.4 -49.7 93.8 19.8 72.2 781 315 B L H X S+ 0 0 17 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.873 112.0 51.4 -68.8 -38.0 97.1 18.7 74.0 782 316 B V H X S+ 0 0 0 -4,-2.3 4,-2.5 -5,-0.2 3,-0.2 0.956 112.3 46.1 -61.6 -48.8 97.7 15.8 71.7 783 317 B L H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.863 111.5 52.0 -63.4 -36.5 97.4 18.1 68.6 784 318 B L H X S+ 0 0 22 -4,-1.9 4,-2.6 -5,-0.3 -1,-0.2 0.841 109.4 50.3 -68.5 -33.0 99.6 20.7 70.2 785 319 B D H X S+ 0 0 49 -4,-1.7 4,-2.8 -3,-0.2 -2,-0.2 0.938 112.2 46.7 -64.1 -50.2 102.2 18.0 70.9 786 320 B L H <>S+ 0 0 7 -4,-2.5 5,-2.4 2,-0.2 6,-0.6 0.863 113.7 49.2 -62.8 -40.3 102.0 16.9 67.2 787 321 B Y H ><5S+ 0 0 72 -4,-2.5 3,-2.1 3,-0.2 -2,-0.2 0.962 111.3 47.3 -61.5 -56.1 102.2 20.5 66.1 788 322 B D H 3<5S+ 0 0 119 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.875 110.3 55.2 -55.0 -38.8 105.2 21.2 68.3 789 323 B S T 3<5S- 0 0 74 -4,-2.8 -1,-0.3 -5,-0.1 -2,-0.2 0.388 118.5-113.1 -71.1 -2.8 106.8 18.0 67.0 790 324 B G T < 5S+ 0 0 41 -3,-2.1 -3,-0.2 2,-0.2 -2,-0.1 0.603 85.2 110.9 90.2 9.6 106.4 19.2 63.3 791 325 B F S S+ 0 0 1 -2,-0.3 3,-2.2 1,-0.1 -1,-0.2 0.839 72.0 177.8 57.7 40.1 99.4 22.2 60.9 794 328 B K T 3 S+ 0 0 136 1,-0.3 -1,-0.1 -3,-0.2 -2,-0.1 0.721 73.0 20.4 -56.0 -35.4 102.8 22.8 59.4 795 329 B D T 3 S+ 0 0 169 2,-0.1 -1,-0.3 0, 0.0 2,-0.2 -0.069 103.1 117.5-124.5 39.5 102.4 26.3 58.3 796 330 B Q < - 0 0 55 -3,-2.2 2,-0.6 -4,-0.1 40,-0.1 -0.611 68.3-117.7-101.6 158.2 99.4 27.3 60.5 797 331 B D - 0 0 116 38,-0.3 3,-0.2 -2,-0.2 4,-0.1 -0.895 28.9-174.8 -92.4 122.0 98.8 29.9 63.2 798 332 B I >> + 0 0 6 -2,-0.6 3,-1.1 1,-0.2 4,-0.6 0.236 40.0 124.4-107.8 8.6 98.0 27.7 66.2 799 333 B S G >4 S+ 0 0 70 1,-0.3 3,-1.4 2,-0.2 -1,-0.2 0.805 71.3 46.8 -40.0 -56.4 97.1 30.6 68.5 800 334 B K G >4 S+ 0 0 91 34,-0.5 3,-1.4 1,-0.3 -1,-0.3 0.807 103.5 65.9 -63.0 -30.6 93.6 29.5 69.6 801 335 B L G <4 S+ 0 0 0 -3,-1.1 -1,-0.3 33,-0.3 -2,-0.2 0.673 88.6 67.5 -64.6 -18.3 94.8 26.0 70.2 802 336 B K G << S+ 0 0 147 -3,-1.4 2,-0.8 -4,-0.6 -1,-0.3 0.456 77.4 101.7 -83.8 -1.2 97.0 27.1 73.1 803 337 B E S X S- 0 0 113 -3,-1.4 3,-2.4 -4,-0.1 4,-0.3 -0.770 78.6-122.6 -94.2 114.9 94.0 28.0 75.2 804 338 B A T 3 S+ 0 0 46 -2,-0.8 -2,-0.1 1,-0.3 -27,-0.0 -0.174 95.1 7.9 -49.0 131.7 93.2 25.5 77.9 805 339 B Y T 3 S+ 0 0 64 2,-0.2 -1,-0.3 1,-0.1 -28,-0.1 0.513 84.1 127.8 66.6 14.7 89.5 24.2 77.5 806 340 B V S < S+ 0 0 29 -3,-2.4 2,-0.8 -6,-0.2 -2,-0.1 0.822 70.9 59.4 -58.9 -34.9 89.0 26.0 74.1 807 341 B M S S- 0 0 0 -4,-0.3 -27,-0.2 -6,-0.1 -2,-0.2 -0.865 76.8-179.6-100.3 109.4 87.9 22.6 72.9 808 342 B D > - 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