==== 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 29-JUL-10 3O6W . COMPND 2 MOLECULE: HEXOKINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: KLUYVEROMYCES LACTIS; . AUTHOR E.B.KUETTNER,K.KETTNER,A.KEIM,T.M.KRIEGEL,N.STRATER . 933 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39585.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 661 70.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 54 5.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 82 8.8 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 . 56 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 90 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 325 34.8 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 2 0 0 0 4 0 0 0 0 0 0 0 0 0 0 2 RESIDUES PER ALPHA HELIX . 1 0 0 2 4 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 19 A V 0 0 76 0, 0.0 357,-0.0 0, 0.0 355,-0.0 0.000 360.0 360.0 360.0 127.0 3.0 8.4 47.2 2 20 A P > - 0 0 61 0, 0.0 4,-2.5 0, 0.0 5,-0.2 -0.132 360.0-104.2 -65.2 167.0 3.9 11.7 49.0 3 21 A A H > S+ 0 0 80 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.893 120.7 57.1 -56.4 -39.3 2.6 15.1 47.7 4 22 A N H > S+ 0 0 101 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.925 111.5 38.1 -58.5 -54.9 6.1 15.8 46.3 5 23 A L H > S+ 0 0 9 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.839 113.7 57.1 -69.1 -32.3 6.3 12.6 44.1 6 24 A M H X S+ 0 0 64 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.927 106.9 49.1 -61.6 -41.9 2.6 13.0 43.2 7 25 A E H X S+ 0 0 135 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.921 111.8 49.0 -61.7 -40.6 3.3 16.5 41.9 8 26 A Q H X S+ 0 0 43 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.887 108.3 53.1 -67.9 -36.0 6.2 15.1 39.9 9 27 A I H X S+ 0 0 12 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.909 107.4 51.7 -64.7 -41.4 4.1 12.3 38.5 10 28 A H H X S+ 0 0 101 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.867 107.7 53.6 -61.2 -32.0 1.5 15.0 37.3 11 29 A G H X S+ 0 0 29 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.917 107.3 50.3 -66.4 -43.6 4.5 16.7 35.7 12 30 A L H X S+ 0 0 5 -4,-2.1 4,-2.3 2,-0.2 5,-0.2 0.889 109.5 51.0 -59.2 -41.0 5.4 13.5 33.8 13 31 A E H X S+ 0 0 55 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.917 110.7 48.6 -65.7 -39.7 1.8 13.1 32.6 14 32 A T H < S+ 0 0 123 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.894 113.5 48.8 -66.8 -37.8 1.9 16.7 31.4 15 33 A L H < S+ 0 0 58 -4,-2.4 -2,-0.2 1,-0.1 -1,-0.2 0.911 123.9 24.8 -62.2 -45.9 5.2 16.1 29.6 16 34 A F H < S+ 0 0 2 -4,-2.3 2,-0.2 -5,-0.1 -2,-0.2 0.524 86.2 108.2-111.7 -12.1 4.3 12.9 27.8 17 35 A T < - 0 0 91 -4,-2.1 2,-0.5 -5,-0.2 351,-0.0 -0.508 48.8-158.9 -70.3 136.7 0.5 12.6 27.3 18 36 A V - 0 0 4 -2,-0.2 -2,-0.0 4,-0.0 -3,-0.0 -0.974 13.4-143.0-117.0 115.4 -0.6 13.1 23.6 19 37 A S > - 0 0 49 -2,-0.5 4,-2.5 1,-0.1 5,-0.2 -0.295 21.8-114.9 -71.5 160.3 -4.2 14.1 23.3 20 38 A S H > S+ 0 0 24 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.881 119.5 54.1 -59.9 -37.0 -6.5 12.9 20.5 21 39 A E H > S+ 0 0 127 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.903 107.9 48.9 -66.0 -41.3 -6.6 16.5 19.3 22 40 A K H > S+ 0 0 67 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.917 109.8 51.6 -63.5 -44.2 -2.9 16.7 19.1 23 41 A M H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 -2,-0.2 0.925 108.7 51.6 -56.6 -45.7 -2.7 13.4 17.2 24 42 A R H X S+ 0 0 78 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.885 110.4 48.2 -61.9 -37.2 -5.2 14.8 14.7 25 43 A S H X S+ 0 0 62 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.891 111.0 50.6 -68.9 -38.7 -3.1 17.9 14.2 26 44 A I H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.940 108.8 53.0 -60.2 -46.9 0.0 15.8 13.7 27 45 A V H X S+ 0 0 4 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.897 105.8 52.7 -57.4 -43.5 -1.8 13.7 11.1 28 46 A K H X S+ 0 0 150 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.914 113.2 43.6 -60.5 -44.2 -2.8 16.8 9.1 29 47 A H H X S+ 0 0 39 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.893 110.7 55.5 -66.2 -40.4 0.7 18.0 8.9 30 48 A F H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.916 106.7 50.9 -57.2 -44.6 2.0 14.4 8.2 31 49 A I H X S+ 0 0 35 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.944 108.8 51.2 -59.5 -47.1 -0.4 14.3 5.2 32 50 A S H X S+ 0 0 64 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.889 111.3 48.6 -56.2 -40.8 1.0 17.6 3.9 33 51 A E H X S+ 0 0 12 -4,-2.1 4,-2.3 2,-0.2 12,-0.3 0.827 107.8 53.4 -73.0 -31.3 4.5 16.2 4.2 34 52 A L H X S+ 0 0 0 -4,-2.4 4,-1.1 2,-0.2 -2,-0.2 0.951 112.3 45.6 -63.1 -48.7 3.6 13.0 2.4 35 53 A D H >X S+ 0 0 82 -4,-2.6 3,-0.7 1,-0.2 4,-0.6 0.921 111.5 53.0 -57.7 -44.2 2.3 15.1 -0.5 36 54 A K H >< S+ 0 0 86 -4,-2.4 3,-1.1 1,-0.2 6,-0.4 0.894 104.9 54.0 -61.2 -40.9 5.4 17.4 -0.3 37 55 A G H 3< S+ 0 0 1 -4,-2.3 -1,-0.2 1,-0.3 6,-0.2 0.772 108.2 50.3 -67.1 -22.6 7.7 14.4 -0.6 38 56 A L H << S+ 0 0 2 -4,-1.1 192,-2.4 -3,-0.7 -1,-0.3 0.542 95.7 96.4 -86.6 -10.1 5.9 13.3 -3.8 39 57 A S S << S- 0 0 26 -3,-1.1 3,-0.4 -4,-0.6 4,-0.1 -0.308 89.8-108.1 -79.0 163.8 6.2 16.7 -5.3 40 58 A K S S+ 0 0 127 1,-0.2 -1,-0.1 2,-0.1 -4,-0.0 0.892 121.2 48.4 -56.1 -40.9 8.9 17.9 -7.8 41 59 A K S S- 0 0 209 1,-0.1 -1,-0.2 -5,-0.0 -4,-0.1 0.755 100.9-157.4 -71.5 -25.4 10.5 20.1 -5.1 42 60 A G - 0 0 21 -6,-0.4 2,-0.3 -3,-0.4 -5,-0.2 -0.020 5.4-140.9 74.1 177.8 10.5 17.2 -2.6 43 61 A G - 0 0 31 2,-0.4 -10,-0.0 -6,-0.2 -9,-0.0 -0.855 40.5 -64.6-156.5-166.9 10.6 17.5 1.2 44 62 A N S S+ 0 0 52 -2,-0.3 209,-0.2 209,-0.1 210,-0.1 0.749 113.7 74.1 -64.0 -25.8 12.0 15.9 4.3 45 63 A I S S- 0 0 0 -12,-0.3 -2,-0.4 1,-0.1 206,-0.1 -0.812 76.5-149.7 -89.7 120.0 10.1 12.6 3.7 46 64 A P - 0 0 47 0, 0.0 204,-0.2 0, 0.0 -1,-0.1 0.845 11.5-165.8 -59.1 -39.0 11.8 10.8 0.8 47 65 A M - 0 0 0 202,-2.1 202,-0.2 1,-0.2 203,-0.1 0.951 18.1-160.3 50.2 63.6 8.6 9.1 -0.5 48 66 A I E -A 248 0A 56 200,-2.6 200,-3.0 1,-0.1 -1,-0.2 -0.582 16.0-123.6 -86.0 121.4 10.6 6.8 -2.7 49 67 A P E -A 247 0A 16 0, 0.0 198,-0.2 0, 0.0 95,-0.2 -0.455 18.8-161.5 -59.4 131.2 8.9 5.0 -5.6 50 68 A G - 0 0 5 196,-3.2 197,-0.1 2,-0.2 3,-0.1 0.419 28.9-125.3 -98.6 -1.6 9.3 1.3 -5.2 51 69 A W + 0 0 8 195,-0.5 2,-0.6 1,-0.2 96,-0.2 0.759 69.1 127.8 64.6 27.2 8.6 0.3 -8.8 52 70 A V + 0 0 5 194,-0.2 194,-2.6 1,-0.1 -1,-0.2 -0.983 28.4 171.7-108.5 114.9 5.9 -2.2 -7.9 53 71 A V + 0 0 5 -2,-0.6 2,-0.3 192,-0.2 -1,-0.1 0.163 54.0 54.9-118.3 15.6 3.0 -1.0 -10.1 54 72 A E S S- 0 0 60 189,-0.1 192,-0.1 0, 0.0 397,-0.1 -0.973 75.9-120.8-142.7 155.2 0.5 -3.9 -9.6 55 73 A Y - 0 0 113 -2,-0.3 2,-0.2 146,-0.0 -2,-0.0 -0.745 34.7-109.6 -89.2 145.4 -1.2 -5.5 -6.6 56 74 A P - 0 0 11 0, 0.0 392,-0.0 0, 0.0 -1,-0.0 -0.560 21.7-153.4 -67.3 143.1 -0.7 -9.2 -6.0 57 75 A T - 0 0 80 -2,-0.2 -2,-0.0 -3,-0.0 145,-0.0 0.671 30.4-122.6 -88.1 -22.9 -4.0 -11.1 -6.7 58 76 A G S S+ 0 0 0 26,-0.1 27,-2.5 146,-0.0 28,-0.4 0.293 96.7 92.6 91.6 -5.7 -3.3 -14.0 -4.4 59 77 A K + 0 0 112 25,-0.2 143,-0.0 26,-0.1 25,-0.0 0.423 54.6 121.4 -98.0 -2.1 -3.6 -16.3 -7.3 60 78 A E - 0 0 12 142,-0.1 23,-1.3 1,-0.0 2,-0.3 -0.293 39.9-175.5 -64.4 143.9 0.1 -16.3 -8.2 61 79 A T E +F 82 0B 93 21,-0.2 21,-0.2 22,-0.1 2,-0.2 -0.924 26.9 67.3-135.4 160.2 1.8 -19.7 -8.1 62 80 A G E S-F 81 0B 29 19,-1.5 19,-3.0 -2,-0.3 2,-0.5 -0.563 74.4 -57.0 122.5 178.4 5.4 -20.9 -8.6 63 81 A D E +F 80 0B 61 17,-0.2 2,-0.3 -2,-0.2 17,-0.2 -0.848 49.1 171.5-106.0 128.8 8.9 -20.9 -7.0 64 82 A F E -F 79 0B 12 15,-2.7 15,-3.0 -2,-0.5 2,-0.3 -0.975 19.1-139.6-139.4 146.6 10.7 -17.7 -6.2 65 83 A L E -Fg 78 134B 0 68,-2.8 70,-2.4 -2,-0.3 2,-0.4 -0.788 9.7-165.9-106.7 152.8 13.9 -16.8 -4.4 66 84 A A E -Fg 77 135B 0 11,-2.5 11,-2.5 -2,-0.3 2,-0.4 -0.985 1.8-164.6-130.4 149.4 14.8 -14.0 -2.0 67 85 A L E -Fg 76 136B 0 68,-2.2 70,-2.9 -2,-0.4 2,-0.4 -0.995 3.9-174.9-127.2 137.0 18.2 -12.9 -0.8 68 86 A D E -Fg 75 137B 30 7,-2.3 7,-2.6 -2,-0.4 2,-0.9 -0.979 14.1-150.2-132.7 124.0 18.9 -10.6 2.2 69 87 A L E -F 74 0B 0 68,-1.3 70,-0.4 -2,-0.4 5,-0.2 -0.794 22.2-178.3 -94.9 102.4 22.4 -9.4 3.0 70 88 A G - 0 0 23 3,-2.4 -2,-0.0 -2,-0.9 26,-0.0 -0.270 41.4-108.7 -86.0 178.9 22.9 -8.9 6.7 71 89 A G S S+ 0 0 24 1,-0.1 30,-0.1 -2,-0.1 3,-0.1 0.764 118.8 18.7 -75.0 -26.4 25.9 -7.6 8.6 72 90 A T S S+ 0 0 76 1,-0.3 24,-2.9 23,-0.1 2,-0.3 0.740 129.4 26.4-111.1 -40.6 26.5 -11.1 10.0 73 91 A N E - H 0 95B 61 22,-0.3 -3,-2.4 2,-0.0 2,-0.5 -0.939 58.3-136.4-133.9 150.4 24.6 -13.5 7.8 74 92 A L E -FH 69 94B 0 20,-2.7 20,-3.1 -2,-0.3 2,-0.5 -0.907 26.0-154.2 -96.9 130.8 23.2 -13.9 4.3 75 93 A R E -FH 68 93B 36 -7,-2.6 -7,-2.3 -2,-0.5 2,-0.4 -0.948 8.4-169.1-108.7 128.9 19.7 -15.3 4.3 76 94 A V E -FH 67 92B 0 16,-2.7 16,-2.1 -2,-0.5 2,-0.4 -0.979 9.5-170.5-115.1 130.4 18.4 -17.2 1.2 77 95 A V E -FH 66 91B 2 -11,-2.5 -11,-2.5 -2,-0.4 2,-0.5 -0.973 15.4-157.9-127.6 132.4 14.7 -18.0 1.0 78 96 A L E -FH 65 90B 2 12,-3.0 12,-2.0 -2,-0.4 2,-0.5 -0.950 14.4-168.9-103.6 128.6 12.7 -20.2 -1.3 79 97 A V E -FH 64 89B 0 -15,-3.0 -15,-2.7 -2,-0.5 2,-0.7 -0.986 9.3-163.0-120.1 124.0 9.0 -19.3 -1.5 80 98 A K E -FH 63 88B 86 8,-2.7 8,-1.9 -2,-0.5 2,-0.3 -0.938 17.2-146.6-104.3 107.6 6.5 -21.6 -3.2 81 99 A L E -FH 62 87B 9 -19,-3.0 -19,-1.5 -2,-0.7 6,-0.2 -0.627 7.4-161.5 -79.7 130.8 3.3 -19.6 -3.9 82 100 A G E -F 61 0B 46 4,-2.6 -21,-0.2 -2,-0.3 5,-0.2 0.472 33.0-119.1 -95.6 -3.5 0.2 -21.8 -3.7 83 101 A G S S+ 0 0 17 -23,-1.3 -22,-0.1 3,-0.5 4,-0.1 0.596 95.3 80.7 77.5 9.9 -2.3 -19.6 -5.6 84 102 A N S S- 0 0 98 2,-0.2 -25,-0.2 -24,-0.2 3,-0.1 -0.289 122.8 -77.7-140.2 57.8 -4.8 -19.0 -2.8 85 103 A H S S+ 0 0 51 -27,-2.5 2,-0.3 1,-0.2 -26,-0.1 0.756 106.5 110.8 60.1 26.0 -3.2 -16.2 -0.7 86 104 A D + 0 0 73 -28,-0.4 -4,-2.6 2,-0.0 -3,-0.5 -0.846 41.6 174.1-132.4 161.0 -0.9 -19.0 0.6 87 105 A F E -H 81 0B 44 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.990 22.5-138.5-159.7 160.8 2.8 -20.1 0.5 88 106 A D E -H 80 0B 117 -8,-1.9 -8,-2.7 -2,-0.3 2,-0.3 -0.926 28.7-171.2-118.8 152.2 5.4 -22.6 1.8 89 107 A T E +H 79 0B 71 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.987 17.4 179.2-145.1 149.1 8.9 -21.4 2.6 90 108 A T E -H 78 0B 42 -12,-2.0 -12,-3.0 -2,-0.3 2,-0.3 -0.978 13.4-176.8-143.5 157.6 12.3 -22.6 3.5 91 109 A Q E -H 77 0B 70 -2,-0.3 2,-0.4 -14,-0.2 -14,-0.2 -0.986 17.8-153.2-151.8 157.3 15.5 -20.8 4.2 92 110 A N E -H 76 0B 39 -16,-2.1 -16,-2.7 -2,-0.3 2,-0.5 -0.989 12.5-148.8-129.0 140.4 19.2 -21.1 4.9 93 111 A K E -H 75 0B 141 -2,-0.4 2,-0.5 -18,-0.2 -18,-0.2 -0.952 11.9-162.0-106.5 131.6 21.4 -18.5 6.7 94 112 A Y E -H 74 0B 33 -20,-3.1 -20,-2.7 -2,-0.5 2,-0.2 -0.965 18.9-127.6-115.6 119.7 25.0 -18.4 5.7 95 113 A R E -H 73 0B 165 -2,-0.5 -22,-0.3 -22,-0.2 3,-0.1 -0.467 25.6-121.4 -67.2 130.8 27.5 -16.7 8.1 96 114 A L - 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0 0 34 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.362 42.4-179.6 -83.1 64.7 5.6 17.2 20.9 263 281 A R - 0 0 69 -2,-2.2 2,-0.2 4,-0.1 22,-0.0 -0.418 11.0-155.4 -69.5 135.7 9.3 17.2 21.8 264 282 A T > - 0 0 13 -2,-0.1 4,-2.1 1,-0.0 3,-0.2 -0.544 38.3 -94.7 -94.6 176.4 10.3 17.7 25.4 265 283 A K H > S+ 0 0 117 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.816 128.2 56.3 -61.3 -26.6 13.5 19.0 26.7 266 284 A Y H > S+ 0 0 15 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.891 105.2 49.7 -73.9 -40.7 14.6 15.3 27.0 267 285 A D H > S+ 0 0 7 -3,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.869 109.0 53.2 -63.0 -36.6 13.9 14.7 23.3 268 286 A V H X S+ 0 0 43 -4,-2.1 4,-3.1 2,-0.2 -2,-0.2 0.928 108.5 49.3 -64.1 -42.8 16.0 17.8 22.5 269 287 A I H X S+ 0 0 51 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.944 109.8 51.8 -59.2 -48.6 18.9 16.4 24.6 270 288 A I H X S+ 0 0 4 -4,-2.5 4,-0.6 1,-0.2 -1,-0.2 0.927 113.3 44.6 -53.3 -46.7 18.6 13.0 22.8 271 289 A D H >< S+ 0 0 10 -4,-2.2 3,-1.1 1,-0.2 -2,-0.2 0.943 112.7 50.0 -67.2 -47.2 18.7 14.8 19.4 272 290 A E H 3< S+ 0 0 132 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.813 115.8 43.3 -58.3 -33.7 21.6 17.2 20.4 273 291 A E H 3< S+ 0 0 121 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.440 96.7 102.2 -93.3 -2.0 23.7 14.2 21.6 274 292 A S S << S- 0 0 12 -3,-1.1 -3,-0.1 -4,-0.6 -4,-0.0 -0.256 87.6-106.6 -80.5 166.0 22.8 11.9 18.7 275 293 A P S S+ 0 0 132 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.851 115.7 31.0 -62.1 -30.8 25.1 11.2 15.7 276 294 A R S > S- 0 0 121 3,-0.1 3,-2.0 -5,-0.1 -3,-0.1 -0.671 81.5-159.1-129.6 80.0 23.0 13.4 13.4 277 295 A P T 3 S+ 0 0 77 0, 0.0 -5,-0.1 0, 0.0 3,-0.1 -0.314 80.6 22.2 -56.6 134.2 21.4 16.3 15.4 278 296 A G T 3 S+ 0 0 23 1,-0.4 3,-0.2 2,-0.0 2,-0.2 0.376 106.5 99.1 90.0 -3.8 18.4 17.6 13.5 279 297 A Q S < S+ 0 0 78 -3,-2.0 -1,-0.4 1,-0.2 5,-0.1 -0.697 72.7 22.1-109.3 165.0 17.8 14.5 11.5 280 298 A Q > + 0 0 39 -2,-0.2 4,-2.9 -3,-0.1 5,-0.2 0.816 67.1 164.3 52.9 41.8 15.4 11.5 12.0 281 299 A A H > S+ 0 0 2 -3,-0.2 4,-1.5 1,-0.2 -28,-0.2 0.910 73.3 42.5 -57.2 -48.3 13.0 13.5 14.1 282 300 A F H > S+ 0 0 1 -30,-0.8 4,-0.9 -28,-0.8 5,-0.2 0.898 113.9 52.6 -68.9 -38.8 10.0 11.1 13.8 283 301 A E H >> S+ 0 0 43 -31,-2.2 4,-3.0 1,-0.2 3,-1.0 0.939 108.1 51.3 -60.5 -43.8 12.3 8.1 14.3 284 302 A K H 3< S+ 0 0 18 -4,-2.9 -1,-0.2 -32,-0.4 -2,-0.2 0.830 113.3 46.0 -64.7 -27.7 13.7 9.6 17.5 285 303 A M H 3< S+ 0 0 5 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.556 126.9 25.6 -89.6 -8.8 10.1 10.2 18.7 286 304 A T H << S+ 0 0 1 -3,-1.0 -2,-0.2 -4,-0.9 -3,-0.2 0.589 90.3 104.4-127.2 -21.8 8.8 6.7 17.8 287 305 A S >< - 0 0 1 -4,-3.0 3,-1.2 -5,-0.2 4,-0.3 -0.401 66.6-132.9 -70.4 145.6 11.7 4.1 17.7 288 306 A G G >> S+ 0 0 1 -74,-1.9 3,-1.1 1,-0.2 4,-0.5 0.725 97.0 79.2 -62.0 -23.3 12.1 1.6 20.5 289 307 A Y G 34 S+ 0 0 105 -75,-0.4 4,-0.3 -74,-0.3 -1,-0.2 0.754 97.3 40.0 -60.4 -28.1 15.8 2.5 20.6 290 308 A Y G <> S+ 0 0 25 -3,-1.2 4,-2.4 1,-0.1 -1,-0.3 0.470 85.7 93.7-102.5 -5.3 15.3 5.7 22.5 291 309 A L H <> S+ 0 0 6 -3,-1.1 4,-1.7 -4,-0.3 -1,-0.1 0.898 91.2 43.4 -61.7 -43.6 12.6 4.7 25.1 292 310 A G H X S+ 0 0 0 -4,-0.5 4,-2.6 2,-0.2 -1,-0.2 0.874 111.6 55.2 -66.5 -38.7 15.1 3.8 27.8 293 311 A E H > S+ 0 0 0 -4,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.885 104.7 52.8 -60.9 -41.3 17.2 6.9 27.1 294 312 A I H X S+ 0 0 2 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.949 112.1 46.5 -58.4 -46.9 14.1 9.2 27.6 295 313 A M H X S+ 0 0 0 -4,-1.7 4,-2.8 1,-0.2 -2,-0.2 0.906 109.4 54.3 -61.2 -42.6 13.6 7.5 31.0 296 314 A R H X S+ 0 0 10 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.918 110.1 46.2 -58.5 -45.2 17.3 7.8 31.9 297 315 A L H X S+ 0 0 17 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.867 112.0 50.2 -68.8 -36.9 17.3 11.5 31.3 298 316 A V H X S+ 0 0 0 -4,-2.0 4,-2.5 -5,-0.2 -1,-0.2 0.934 111.0 49.6 -64.7 -46.0 14.0 12.1 33.2 299 317 A L H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.888 109.4 51.5 -62.2 -40.1 15.3 10.2 36.1 300 318 A L H X S+ 0 0 36 -4,-2.3 4,-2.5 -5,-0.2 -1,-0.2 0.887 109.7 50.5 -62.7 -37.6 18.6 12.2 36.1 301 319 A D H X S+ 0 0 38 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.936 110.5 48.9 -64.8 -43.7 16.6 15.4 36.1 302 320 A L H <>S+ 0 0 10 -4,-2.5 5,-2.5 1,-0.2 6,-0.6 0.877 112.3 49.2 -62.5 -38.0 14.5 14.2 39.1 303 321 A Y H ><5S+ 0 0 82 -4,-2.3 3,-1.6 4,-0.2 -1,-0.2 0.927 110.4 50.0 -65.2 -45.7 17.7 13.2 40.9 304 322 A D H 3<5S+ 0 0 135 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.807 107.4 54.5 -65.5 -27.9 19.3 16.6 40.2 305 323 A S T 3<5S- 0 0 66 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.428 119.8-111.8 -86.7 0.6 16.1 18.4 41.5 306 324 A G T < 5S+ 0 0 45 -3,-1.6 -3,-0.2 2,-0.1 -2,-0.1 0.600 84.6 113.1 89.5 13.7 16.5 16.4 44.8 307 325 A F < + 0 0 58 -5,-2.5 2,-0.3 1,-0.1 -4,-0.2 0.755 69.7 25.8 -93.5 -28.5 13.4 14.2 44.5 308 326 A I S S+ 0 0 3 -6,-0.6 -2,-0.1 -9,-0.2 4,-0.1 -0.914 106.3 19.5-138.5 163.6 14.7 10.6 44.1 309 327 A F > + 0 0 1 -2,-0.3 3,-1.8 1,-0.1 -1,-0.1 0.813 67.7 166.3 52.7 39.5 17.6 8.2 44.7 310 328 A K T 3 S+ 0 0 157 1,-0.3 -1,-0.1 -3,-0.1 -2,-0.1 0.785 70.7 31.4 -64.9 -34.0 18.7 10.5 47.4 311 329 A D T 3 S+ 0 0 139 42,-0.1 2,-0.3 2,-0.1 -1,-0.3 0.068 101.7 106.6-110.4 22.5 21.2 8.2 49.2 312 330 A Q S < S- 0 0 33 -3,-1.8 2,-1.0 -4,-0.1 40,-0.1 -0.746 72.5-123.8-104.6 149.9 22.2 6.2 46.1 313 331 A D - 0 0 92 38,-0.4 3,-0.4 -2,-0.3 -2,-0.1 -0.815 30.0-178.4 -84.7 106.1 25.3 6.1 44.0 314 332 A I >> + 0 0 5 -2,-1.0 3,-1.6 1,-0.2 4,-0.6 0.188 39.9 122.4 -94.2 19.7 23.8 6.9 40.6 315 333 A S G >4 S+ 0 0 70 1,-0.3 3,-1.4 2,-0.2 -1,-0.2 0.851 71.4 53.6 -47.8 -44.5 27.1 6.6 38.6 316 334 A K G >4 S+ 0 0 116 34,-0.5 3,-1.0 -3,-0.4 -1,-0.3 0.758 100.2 61.9 -68.1 -22.4 25.8 3.9 36.3 317 335 A L G <4 S+ 0 0 0 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.649 89.6 71.4 -75.6 -15.3 22.8 6.0 35.3 318 336 A K G << S+ 0 0 137 -3,-1.4 2,-0.6 -4,-0.6 -1,-0.2 0.494 74.2 99.7 -82.0 -0.7 25.1 8.7 33.9 319 337 A E S X S- 0 0 120 -3,-1.0 3,-1.9 -4,-0.1 4,-0.3 -0.757 80.2-119.7 -91.2 118.4 26.1 6.5 30.9 320 338 A A T 3 S+ 0 0 48 -2,-0.6 -2,-0.1 1,-0.3 -1,-0.1 -0.288 93.8 8.0 -57.9 136.7 24.2 7.3 27.8 321 339 A Y T 3 S+ 0 0 65 2,-0.1 -1,-0.3 1,-0.1 -28,-0.1 0.501 84.3 128.7 68.5 12.2 22.1 4.4 26.4 322 340 A V < + 0 0 34 -3,-1.9 2,-0.8 1,-0.2 -2,-0.1 0.837 67.3 62.2 -62.6 -32.5 22.7 2.2 29.5 323 341 A M S S- 0 0 0 -4,-0.3 -27,-0.2 -6,-0.1 -1,-0.2 -0.853 76.1-178.5 -96.9 106.4 18.9 1.8 29.6 324 342 A D > - 0 0 88 -2,-0.8 3,-1.8 -32,-0.2 -35,-0.1 -0.196 49.7 -76.0 -88.0-171.4 17.8 0.0 26.4 325 343 A T T 3> S+ 0 0 40 1,-0.3 4,-2.1 2,-0.2 5,-0.2 0.728 122.2 74.3 -62.3 -22.7 14.2 -0.9 25.5 326 344 A S H 3> S+ 0 0 42 1,-0.2 4,-2.7 2,-0.2 -1,-0.3 0.739 87.8 63.9 -64.5 -22.9 14.3 -3.8 27.9 327 345 A Y H <> S+ 0 0 12 -3,-1.8 4,-2.5 2,-0.2 5,-0.2 0.996 107.9 35.2 -66.7 -63.2 13.9 -1.4 30.8 328 346 A P H > S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.880 119.3 55.6 -60.4 -30.1 10.5 0.1 30.0 329 347 A S H X S+ 0 0 22 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.965 111.3 39.9 -62.3 -54.1 9.5 -3.3 28.7 330 348 A K H X S+ 0 0 111 -4,-2.7 4,-0.6 1,-0.2 -1,-0.2 0.869 115.6 53.8 -63.9 -35.3 10.3 -5.2 31.9 331 349 A I H >< S+ 0 0 0 -4,-2.5 3,-1.0 -5,-0.2 -2,-0.2 0.935 109.0 47.0 -66.1 -45.2 8.9 -2.3 34.0 332 350 A E H 3< S+ 0 0 24 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.778 112.3 51.2 -67.7 -24.5 5.6 -2.4 32.2 333 351 A D H 3< S+ 0 0 109 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.526 77.4 121.7 -85.7 -8.7 5.4 -6.2 32.5 334 352 A D << - 0 0 4 -3,-1.0 5,-0.1 -4,-0.6 -3,-0.0 -0.401 51.7-157.1 -61.3 120.7 6.1 -6.1 36.3 335 353 A P + 0 0 84 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.741 57.0 60.8 -83.2 -25.2 3.0 -7.8 37.8 336 354 A F S > S- 0 0 130 1,-0.1 3,-2.0 0, 0.0 5,-0.1 -0.700 80.6-114.2-111.4 162.6 2.6 -6.7 41.4 337 355 A E T 3 S+ 0 0 137 1,-0.3 -1,-0.1 -2,-0.3 -3,-0.0 0.794 113.4 58.3 -61.8 -33.7 2.0 -3.3 43.1 338 356 A N T 3 S- 0 0 78 21,-0.0 -1,-0.3 22,-0.0 5,-0.1 0.479 102.0-134.5 -79.0 -2.5 5.4 -3.4 44.8 339 357 A L <> + 0 0 8 -3,-2.0 4,-1.9 1,-0.1 5,-0.1 0.919 35.4 173.1 56.3 54.7 7.1 -3.6 41.5 340 358 A E H > S+ 0 0 119 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.858 74.2 54.2 -65.7 -37.2 9.6 -6.4 42.4 341 359 A D H > S+ 0 0 79 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.901 109.6 48.7 -65.9 -39.4 10.9 -6.9 38.8 342 360 A T H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.883 109.4 53.1 -63.4 -41.1 11.7 -3.1 38.6 343 361 A D H X S+ 0 0 35 -4,-1.9 4,-2.5 1,-0.2 5,-0.2 0.941 111.9 44.4 -60.7 -47.9 13.5 -3.3 42.0 344 362 A D H X S+ 0 0 95 -4,-2.5 4,-2.8 1,-0.2 5,-0.4 0.903 111.4 54.5 -64.6 -40.8 15.7 -6.2 40.8 345 363 A L H X S+ 0 0 7 -4,-2.5 4,-2.0 1,-0.2 5,-0.5 0.937 113.1 40.8 -58.3 -49.6 16.3 -4.4 37.4 346 364 A F H X S+ 0 0 0 -4,-2.4 6,-2.0 2,-0.2 4,-1.5 0.907 119.0 45.1 -67.1 -42.8 17.6 -1.2 39.1 347 365 A K H X S+ 0 0 87 -4,-2.5 4,-0.9 4,-0.3 -2,-0.2 0.944 119.1 40.5 -66.3 -49.1 19.6 -3.0 41.9 348 366 A T H < S+ 0 0 93 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.936 127.4 26.8 -68.9 -47.4 21.2 -5.6 39.6 349 367 A N H < S+ 0 0 72 -4,-2.0 -3,-0.2 -5,-0.4 -1,-0.2 0.718 135.7 24.0 -95.2 -24.7 22.1 -3.5 36.5 350 368 A L H < S- 0 0 0 -4,-1.5 -34,-0.5 -5,-0.5 -33,-0.2 0.427 92.7-124.5-120.4 -4.3 22.5 0.0 37.9 351 369 A N < + 0 0 106 -4,-0.9 2,-0.5 -5,-0.4 -38,-0.4 0.835 64.7 138.9 57.2 36.6 23.3 -0.6 41.6 352 370 A I - 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e 0 432A 5 38,-2.4 40,-2.2 -2,-0.3 2,-0.5 -0.936 40.2-131.0-169.9 146.3 -7.7 -1.1 6.5 394 412 A H E -be 207 433A 38 -188,-2.2 -186,-2.8 -2,-0.3 -185,-0.8 -0.929 26.2-155.0 -97.6 132.1 -5.4 -3.8 7.7 395 413 A I E -be 209 434A 0 38,-2.7 40,-2.6 -2,-0.5 2,-0.8 -0.944 11.0-142.4-111.7 107.2 -2.0 -2.4 8.6 396 414 A A E -be 210 435A 1 -187,-2.7 -185,-2.8 -2,-0.7 2,-0.3 -0.664 27.3-170.5 -80.8 109.8 0.6 -5.1 8.3 397 415 A A E +be 211 436A 1 38,-3.1 40,-2.7 -2,-0.8 2,-0.3 -0.789 17.3 157.2-113.5 145.3 3.1 -4.5 11.2 398 416 A D E +b 212 0A 50 -187,-2.0 -185,-2.8 -2,-0.3 4,-0.3 -0.879 22.5 95.9-148.8 177.3 6.4 -5.9 12.1 399 417 A G S > S- 0 0 13 -2,-0.3 4,-2.8 -187,-0.2 -185,-0.2 -0.111 78.9 -80.6 109.4 155.5 9.5 -4.9 14.2 400 418 A S H > S+ 0 0 39 2,-0.2 4,-2.0 1,-0.2 5,-0.5 0.762 124.8 51.7 -62.6 -29.9 10.6 -5.6 17.7 401 419 A V H > S+ 0 0 3 -188,-1.4 4,-2.0 3,-0.2 7,-0.2 0.969 113.6 42.3 -74.2 -52.1 8.4 -2.9 19.3 402 420 A F H 4 S+ 0 0 4 -189,-1.7 7,-0.2 -4,-0.3 -2,-0.2 0.933 122.5 41.6 -57.2 -42.2 5.2 -4.1 17.7 403 421 A N H < S+ 0 0 75 -4,-2.8 -1,-0.2 -190,-0.3 -2,-0.2 0.809 133.1 11.6 -77.3 -31.6 6.1 -7.7 18.3 404 422 A R H < S+ 0 0 188 -4,-2.0 -3,-0.2 -5,-0.2 -2,-0.2 0.581 86.7 110.0-126.7 -17.4 7.5 -7.6 21.9 405 423 A Y S >< S- 0 0 10 -4,-2.0 3,-2.1 -5,-0.5 4,-0.3 -0.480 80.6-100.6 -72.2 128.2 6.8 -4.3 23.6 406 424 A P T 3 S- 0 0 12 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.239 95.7 -9.1 -57.0 126.9 4.2 -4.9 26.4 407 425 A G T 3> S+ 0 0 30 1,-0.1 4,-2.7 3,-0.1 5,-0.2 0.611 88.5 136.6 67.9 12.1 0.7 -3.9 25.5 408 426 A Y H <> + 0 0 4 -3,-2.1 4,-3.0 1,-0.2 5,-0.2 0.896 69.1 52.4 -61.5 -40.7 1.8 -2.2 22.3 409 427 A K H > S+ 0 0 95 -4,-0.3 4,-2.4 -7,-0.2 -1,-0.2 0.921 112.9 45.3 -61.5 -40.2 -1.0 -3.6 20.3 410 428 A E H > S+ 0 0 109 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.892 112.7 50.8 -68.3 -42.7 -3.6 -2.4 22.8 411 429 A K H X S+ 0 0 30 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.931 113.8 45.3 -59.1 -44.2 -1.9 1.1 23.0 412 430 A A H X S+ 0 0 1 -4,-3.0 4,-2.3 -5,-0.2 -2,-0.2 0.897 112.5 49.6 -70.1 -41.5 -1.9 1.4 19.2 413 431 A A H X S+ 0 0 14 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.2 0.907 112.1 48.2 -63.4 -41.6 -5.5 0.2 18.8 414 432 A Q H X S+ 0 0 91 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.900 109.2 54.9 -66.0 -36.6 -6.7 2.7 21.5 415 433 A A H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.934 109.5 45.8 -61.6 -45.6 -4.7 5.5 19.8 416 434 A L H X S+ 0 0 1 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.918 111.9 51.4 -64.6 -43.0 -6.5 4.8 16.4 417 435 A K H X>S+ 0 0 54 -4,-2.4 4,-1.4 1,-0.2 5,-1.0 0.896 110.8 49.8 -59.0 -37.6 -9.8 4.7 18.2 418 436 A D H <5S+ 0 0 43 -4,-2.5 -2,-0.2 2,-0.2 -1,-0.2 0.909 109.9 50.0 -68.4 -42.6 -9.0 8.0 19.8 419 437 A I H <5S+ 0 0 10 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.920 122.2 32.0 -58.4 -47.9 -8.0 9.7 16.5 420 438 A Y H <5S- 0 0 55 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.535 95.5-135.5 -92.2 -7.9 -11.2 8.6 14.7 421 439 A N T <5 - 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0 0 58 -2,-2.4 2,-0.1 4,-0.1 22,-0.0 -0.506 12.3-154.7 -71.7 126.4 22.9 -6.9 -66.9 731 282 B T > - 0 0 12 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.407 38.0 -93.3 -86.3 173.3 22.1 -7.2 -70.6 732 283 B K H > S+ 0 0 117 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.859 129.4 55.3 -54.3 -34.6 20.3 -4.6 -72.7 733 284 B Y H > S+ 0 0 18 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.904 106.4 48.1 -67.5 -43.3 17.1 -6.5 -71.8 734 285 B D H > S+ 0 0 7 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.880 110.5 52.6 -62.0 -37.6 17.7 -6.3 -68.0 735 286 B V H X S+ 0 0 49 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.941 109.2 49.2 -66.2 -42.5 18.4 -2.5 -68.5 736 287 B I H X S+ 0 0 47 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.932 108.9 52.9 -60.0 -46.7 15.0 -2.1 -70.3 737 288 B I H < S+ 0 0 4 -4,-2.5 4,-0.3 1,-0.2 -1,-0.2 0.920 112.4 45.0 -55.4 -45.5 13.2 -4.0 -67.6 738 289 B D H >< S+ 0 0 7 -4,-2.1 3,-1.4 1,-0.2 -1,-0.2 0.938 112.8 50.0 -63.9 -47.6 14.7 -1.7 -64.9 739 290 B E H 3< S+ 0 0 128 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.821 116.0 43.2 -60.9 -32.8 14.0 1.5 -67.0 740 291 B E T 3< S+ 0 0 120 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.343 96.4 101.1 -96.5 3.2 10.4 0.4 -67.5 741 292 B S S < S- 0 0 11 -3,-1.4 -3,-0.1 -4,-0.3 -4,-0.0 -0.344 88.1-105.0 -85.8 167.9 9.8 -0.8 -63.9 742 293 B P S S+ 0 0 133 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.854 116.4 31.0 -63.0 -32.5 8.0 1.2 -61.2 743 294 B R S > S- 0 0 119 3,-0.1 3,-1.9 -5,-0.0 -3,-0.1 -0.692 82.1-159.1-127.2 80.0 11.3 2.1 -59.5 744 295 B P T 3 S+ 0 0 76 0, 0.0 -5,-0.1 0, 0.0 3,-0.1 -0.310 80.0 22.1 -58.5 134.1 14.1 2.4 -62.0 745 296 B G T 3 S+ 0 0 26 1,-0.4 2,-0.3 2,-0.0 3,-0.2 0.399 105.0 104.0 89.4 -2.2 17.5 2.0 -60.4 746 297 B Q S < S+ 0 0 86 -3,-1.9 -1,-0.4 1,-0.2 5,-0.1 -0.740 74.0 15.3-105.3 158.5 16.1 0.1 -57.4 747 298 B Q > + 0 0 38 -2,-0.3 4,-2.7 -3,-0.1 -27,-0.2 0.855 67.2 166.6 54.7 44.0 16.2 -3.5 -56.5 748 299 B A H > S+ 0 0 0 -3,-0.2 4,-1.2 1,-0.2 -28,-0.2 0.915 74.6 43.5 -58.7 -46.6 18.9 -4.5 -59.0 749 300 B F H > S+ 0 0 1 -30,-0.9 4,-1.0 -28,-0.7 3,-0.3 0.913 112.7 52.3 -69.7 -39.7 19.7 -7.9 -57.6 750 301 B E H >> S+ 0 0 34 -31,-2.2 4,-3.0 1,-0.2 3,-0.8 0.921 108.3 52.2 -59.1 -40.9 16.0 -8.7 -57.1 751 302 B K H 3< S+ 0 0 16 -4,-2.7 -1,-0.2 -32,-0.4 -2,-0.2 0.802 112.1 46.6 -67.1 -25.9 15.4 -7.8 -60.8 752 303 B M H 3< S+ 0 0 5 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.571 126.1 26.4 -91.0 -10.8 18.2 -10.2 -61.8 753 304 B T H << S+ 0 0 2 -4,-1.0 -2,-0.2 -3,-0.8 -3,-0.2 0.574 90.3 105.2-126.8 -18.3 17.1 -13.1 -59.6 754 305 B S >< - 0 0 1 -4,-3.0 3,-1.2 -5,-0.2 4,-0.3 -0.452 65.8-133.9 -72.5 145.7 13.3 -13.0 -59.0 755 306 B G G > S+ 0 0 1 -74,-1.6 3,-1.1 1,-0.2 4,-0.5 0.731 96.9 78.1 -62.6 -26.8 11.0 -15.3 -60.8 756 307 B Y G 3 S+ 0 0 103 -75,-0.4 4,-0.3 1,-0.2 -1,-0.2 0.734 96.6 41.4 -57.8 -29.6 8.7 -12.4 -61.6 757 308 B Y G <> S+ 0 0 19 -3,-1.2 4,-2.4 1,-0.1 -1,-0.2 0.485 85.5 93.8-102.0 -4.8 10.9 -11.1 -64.5 758 309 B L H <> S+ 0 0 6 -3,-1.1 4,-1.7 -4,-0.3 -1,-0.1 0.893 89.7 43.7 -63.5 -43.0 11.8 -14.3 -66.3 759 310 B G H > S+ 0 0 0 -4,-0.5 4,-2.8 2,-0.2 -1,-0.2 0.860 111.4 56.0 -65.8 -36.1 9.0 -14.2 -68.8 760 311 B E H > S+ 0 0 1 -4,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.880 104.8 52.0 -64.8 -39.9 9.6 -10.5 -69.4 761 312 B I H X S+ 0 0 2 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.951 112.6 46.4 -57.6 -47.5 13.2 -11.1 -70.3 762 313 B M H X S+ 0 0 0 -4,-1.7 4,-2.6 1,-0.2 5,-0.2 0.907 108.9 55.0 -59.6 -43.0 12.0 -13.7 -72.8 763 314 B R H X S+ 0 0 10 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.920 110.8 44.8 -60.1 -44.7 9.3 -11.4 -74.2 764 315 B L H X S+ 0 0 20 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.870 113.1 49.6 -68.7 -38.9 11.9 -8.7 -74.9 765 316 B V H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.924 111.9 48.7 -63.8 -45.4 14.4 -11.0 -76.5 766 317 B L H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.861 110.1 50.9 -64.3 -38.7 11.8 -12.6 -78.7 767 318 B L H X S+ 0 0 24 -4,-2.0 4,-2.9 -5,-0.2 -1,-0.2 0.891 109.6 52.0 -64.2 -38.8 10.5 -9.2 -79.9 768 319 B D H X S+ 0 0 44 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.926 110.4 46.9 -64.1 -44.7 14.2 -8.2 -80.7 769 320 B L H <>S+ 0 0 11 -4,-2.4 5,-2.6 2,-0.2 6,-0.8 0.828 113.4 50.0 -64.2 -33.6 14.6 -11.4 -82.7 770 321 B Y H ><5S+ 0 0 70 -4,-2.0 3,-1.4 4,-0.2 -2,-0.2 0.918 109.5 49.8 -67.9 -44.6 11.2 -10.6 -84.4 771 322 B D H 3<5S+ 0 0 118 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.797 108.6 53.8 -66.1 -28.3 12.3 -7.0 -85.2 772 323 B S T 3<5S- 0 0 71 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.421 118.6-113.2 -85.8 -1.2 15.5 -8.3 -86.7 773 324 B G T < 5S+ 0 0 45 -3,-1.4 -3,-0.2 2,-0.2 -2,-0.1 0.721 83.9 114.9 81.7 24.6 13.6 -10.6 -89.0 774 325 B F S + 0 0 1 -2,-0.3 3,-1.9 1,-0.1 -1,-0.1 0.810 69.1 168.5 54.0 37.6 7.7 -15.4 -86.3 777 328 B K T 3 S+ 0 0 133 1,-0.3 -1,-0.1 -3,-0.1 -2,-0.1 0.825 70.5 30.6 -56.3 -42.6 8.1 -13.9 -89.7 778 329 B D T 3 S+ 0 0 159 42,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.150 101.7 111.2-103.9 21.9 4.5 -14.2 -91.0 779 330 B Q S < S- 0 0 47 -3,-1.9 2,-0.7 -4,-0.1 40,-0.1 -0.567 72.7-118.9-100.5 154.1 2.8 -13.8 -87.6 780 331 B D - 0 0 109 38,-0.4 3,-0.3 -2,-0.2 -2,-0.1 -0.871 31.0-175.9 -87.4 114.1 0.7 -11.2 -85.8 781 332 B I > + 0 0 6 -2,-0.7 3,-1.8 1,-0.2 4,-0.4 0.330 43.4 116.3 -96.5 2.4 2.9 -10.3 -82.9 782 333 B S G > S+ 0 0 71 1,-0.3 3,-1.7 2,-0.2 -1,-0.2 0.779 70.6 52.7 -47.9 -46.7 0.5 -7.9 -81.1 783 334 B K G > S+ 0 0 100 34,-0.4 3,-1.0 -3,-0.3 -1,-0.3 0.733 101.4 62.8 -68.8 -20.8 -0.1 -9.8 -77.9 784 335 B L G < S+ 0 0 0 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.574 89.8 69.5 -77.8 -11.0 3.7 -10.0 -77.3 785 336 B K G < S+ 0 0 142 -3,-1.7 2,-0.6 -4,-0.4 -1,-0.2 0.521 75.2 100.5 -84.8 -5.5 3.8 -6.2 -77.1 786 337 B E S X S- 0 0 122 -3,-1.0 3,-1.9 -4,-0.2 4,-0.3 -0.723 81.4-120.4 -81.4 118.1 2.0 -6.2 -73.8 787 338 B A T 3 S+ 0 0 52 -2,-0.6 -2,-0.1 1,-0.3 -1,-0.1 -0.314 93.6 7.3 -58.1 134.0 4.5 -5.8 -70.9 788 339 B Y T 3 S+ 0 0 58 2,-0.1 -1,-0.3 -4,-0.1 -28,-0.1 0.540 84.0 129.8 68.6 13.0 4.4 -8.7 -68.5 789 340 B V < + 0 0 28 -3,-1.9 2,-0.9 1,-0.2 -2,-0.1 0.840 68.3 62.5 -60.6 -33.4 2.0 -10.8 -70.7 790 341 B M S S- 0 0 0 -4,-0.3 -1,-0.2 -6,-0.1 -27,-0.2 -0.823 77.9-179.6 -96.8 101.2 4.6 -13.6 -70.2 791 342 B D > - 0 0 82 -2,-0.9 3,-2.0 -32,-0.2 -35,-0.1 -0.213 50.0 -77.3 -86.4-173.1 4.7 -14.3 -66.5 792 343 B T T 3> S+ 0 0 40 1,-0.3 4,-1.9 2,-0.2 5,-0.1 0.754 123.7 72.1 -58.5 -26.1 6.8 -16.9 -64.8 793 344 B S H 3> S+ 0 0 43 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.732 89.3 64.1 -65.1 -20.1 4.5 -19.7 -66.0 794 345 B Y H <> S+ 0 0 14 -3,-2.0 4,-2.4 2,-0.2 5,-0.2 0.997 107.7 34.6 -69.2 -63.3 5.9 -19.3 -69.5 795 346 B P H > S+ 0 0 0 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.872 119.3 56.7 -59.7 -28.5 9.6 -20.3 -69.0 796 347 B S H X S+ 0 0 26 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.968 110.6 40.1 -64.4 -53.8 8.2 -22.8 -66.4 797 348 B K H X S+ 0 0 103 -4,-2.6 4,-0.7 2,-0.2 -1,-0.2 0.844 116.0 52.5 -62.0 -34.7 5.9 -24.5 -68.9 798 349 B I H >< S+ 0 0 0 -4,-2.4 3,-0.8 2,-0.2 -2,-0.2 0.935 110.8 45.8 -69.7 -45.2 8.6 -24.3 -71.7 799 350 B E H 3< S+ 0 0 23 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.833 114.1 50.8 -64.1 -31.7 11.3 -25.9 -69.5 800 351 B D H 3< S+ 0 0 102 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.548 77.3 122.7 -83.1 -9.8 8.7 -28.6 -68.4 801 352 B D << - 0 0 4 -3,-0.8 5,-0.1 -4,-0.7 -3,-0.0 -0.360 42.0-170.4 -57.6 115.4 7.7 -29.4 -72.0 802 353 B P + 0 0 100 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.553 48.6 106.5 -87.9 -5.4 8.4 -33.2 -72.4 803 354 B F > - 0 0 86 1,-0.1 3,-1.5 2,-0.0 -2,-0.0 -0.543 67.1-141.1 -86.7 137.4 7.9 -33.4 -76.1 804 355 B E T 3 S+ 0 0 145 1,-0.3 -1,-0.1 -2,-0.3 -3,-0.0 0.847 112.6 41.9 -55.5 -36.7 10.6 -33.8 -78.8 805 356 B N T 3 S- 0 0 76 21,-0.0 -1,-0.3 22,-0.0 5,-0.1 0.277 113.7-121.8 -96.9 11.6 8.5 -31.3 -80.9 806 357 B L <> + 0 0 11 -3,-1.5 4,-2.0 1,-0.1 -2,-0.1 0.904 45.0 170.5 51.8 53.8 7.8 -29.1 -77.9 807 358 B E H > S+ 0 0 89 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.817 72.7 56.0 -67.7 -32.9 4.0 -29.4 -78.2 808 359 B D H > S+ 0 0 62 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.907 108.6 48.3 -62.8 -42.0 3.3 -27.7 -74.8 809 360 B T H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.900 111.1 51.4 -62.1 -43.2 5.3 -24.7 -76.0 810 361 B D H X S+ 0 0 26 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.935 112.2 45.3 -58.2 -52.3 3.4 -24.7 -79.3 811 362 B D H X S+ 0 0 87 -4,-2.5 4,-2.7 2,-0.2 5,-0.5 0.926 111.5 53.4 -57.8 -47.3 0.0 -24.8 -77.4 812 363 B L H X>S+ 0 0 8 -4,-2.7 4,-1.7 1,-0.2 5,-0.5 0.929 114.3 40.6 -54.9 -49.8 1.2 -22.0 -75.0 813 364 B F H X5S+ 0 0 0 -4,-2.5 6,-2.1 3,-0.2 4,-1.2 0.885 117.8 47.4 -70.9 -40.4 2.2 -19.7 -77.9 814 365 B K H X5S+ 0 0 88 -4,-2.7 4,-1.0 4,-0.3 -2,-0.2 0.956 120.0 33.7 -63.4 -54.2 -0.9 -20.4 -80.1 815 366 B T H <5S+ 0 0 101 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.825 129.2 32.6 -81.2 -29.3 -3.6 -20.2 -77.5 816 367 B N H <5S+ 0 0 71 -4,-1.7 -3,-0.2 -5,-0.5 -1,-0.2 0.781 134.7 21.6 -95.8 -30.1 -2.2 -17.4 -75.3 817 368 B L H < - 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