==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 25-OCT-10 3PE2 . COMPND 2 MOLECULE: CASEIN KINASE II SUBUNIT ALPHA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR R.BATTISTUTTA,E.PAPINUTTO,G.LOLLI,F.PIERRE,M.HADDACH,D.M.RYC . 327 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15471.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 216 66.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 40 12.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 25 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 15.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 26.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.5 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 3 1 0 0 0 0 2 0 1 0 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 1 0 1 2 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 0 1 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 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 3 A G 0 0 106 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-156.5 -0.5 -59.8 29.7 2 4 A P - 0 0 83 0, 0.0 258,-0.2 0, 0.0 259,-0.1 -0.407 360.0-111.5 -68.8 145.2 -0.6 -57.1 27.1 3 5 A V - 0 0 49 256,-2.0 258,-0.0 -2,-0.1 255,-0.0 -0.655 41.2-114.8 -73.1 132.0 -2.3 -57.8 23.7 4 6 A P - 0 0 83 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.280 30.5-157.5 -69.9 157.9 0.4 -57.8 21.0 5 7 A S - 0 0 3 201,-0.1 178,-0.6 202,-0.1 2,-0.3 -0.947 8.2-164.4-135.9 152.1 0.5 -55.2 18.2 6 8 A R - 0 0 112 -2,-0.3 202,-0.1 176,-0.1 5,-0.1 -0.983 34.2-101.6-131.8 147.3 1.9 -54.9 14.7 7 9 A A - 0 0 3 -2,-0.3 4,-0.1 200,-0.1 301,-0.1 -0.389 26.3-137.6 -60.4 144.1 2.5 -51.9 12.4 8 10 A R S S+ 0 0 139 2,-0.1 2,-0.3 3,-0.1 -1,-0.1 0.596 85.6 35.2 -82.7 -9.6 -0.2 -51.7 9.8 9 11 A V S S+ 0 0 54 1,-0.1 200,-0.2 2,-0.1 -2,-0.1 -0.963 119.0 13.7-139.9 157.7 2.4 -50.9 7.1 10 12 A Y S > S+ 0 0 66 -2,-0.3 3,-0.9 1,-0.1 4,-0.3 0.823 76.1 153.6 51.6 33.6 6.0 -51.8 6.3 11 13 A T T 3 + 0 0 33 1,-0.2 3,-0.2 -4,-0.1 -4,-0.1 0.864 69.8 28.0 -64.2 -37.2 5.5 -54.6 8.8 12 14 A D T 3> S+ 0 0 80 1,-0.1 4,-1.3 2,-0.1 -1,-0.2 0.065 79.3 119.4-117.7 24.3 8.1 -56.9 7.4 13 15 A V T X4 S+ 0 0 30 -3,-0.9 3,-0.6 1,-0.2 4,-0.2 0.937 86.7 37.5 -53.7 -51.5 10.6 -54.6 5.7 14 16 A N G >4 S+ 0 0 1 166,-0.5 3,-0.9 -4,-0.3 -1,-0.2 0.791 106.3 69.4 -73.7 -27.9 13.5 -55.7 7.9 15 17 A T G 34 S+ 0 0 72 1,-0.2 -1,-0.2 -4,-0.1 -2,-0.2 0.837 109.7 33.7 -55.8 -37.0 12.2 -59.3 7.8 16 18 A H G << S+ 0 0 156 -4,-1.3 -1,-0.2 -3,-0.6 -2,-0.2 0.270 99.1 96.4-110.7 7.6 13.1 -59.6 4.2 17 19 A R S < S- 0 0 94 -3,-0.9 2,-0.1 -4,-0.2 5,-0.0 -0.593 89.8 -90.9 -83.5 158.9 16.2 -57.4 4.1 18 20 A P >> - 0 0 71 0, 0.0 3,-1.7 0, 0.0 4,-0.7 -0.420 36.7-113.1 -65.0 150.2 19.6 -59.0 4.4 19 21 A R H 3> S+ 0 0 153 1,-0.3 4,-2.1 2,-0.2 3,-0.2 0.751 115.0 66.9 -57.3 -26.8 20.8 -59.4 8.0 20 22 A E H 34 S+ 0 0 152 1,-0.2 -1,-0.3 2,-0.2 6,-0.1 0.836 94.1 62.2 -61.7 -30.9 23.6 -56.9 7.3 21 23 A Y H <4 S+ 0 0 17 -3,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.915 120.2 15.7 -63.2 -48.0 20.9 -54.2 6.9 22 24 A W H < S+ 0 0 68 -4,-0.7 2,-2.1 -3,-0.2 3,-0.2 0.567 99.1 92.4-109.7 -12.3 19.5 -54.3 10.4 23 25 A D >< + 0 0 16 -4,-2.1 3,-1.7 1,-0.2 4,-0.3 -0.502 49.0 167.0 -82.4 72.8 22.1 -56.1 12.5 24 26 A Y G > + 0 0 18 -2,-2.1 3,-1.3 1,-0.3 -1,-0.2 0.731 63.6 69.6 -65.0 -24.5 23.8 -52.9 13.4 25 27 A E G 3 S+ 0 0 118 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.769 99.7 50.7 -65.0 -22.5 25.9 -54.5 16.2 26 28 A S G < S+ 0 0 71 -3,-1.7 -1,-0.3 -6,-0.1 -2,-0.2 0.466 84.3 124.0 -91.3 -4.3 27.9 -56.3 13.4 27 29 A H < - 0 0 31 -3,-1.3 2,-0.6 -4,-0.3 54,-0.0 -0.287 52.7-147.6 -61.6 137.1 28.5 -53.1 11.5 28 30 A V - 0 0 106 49,-0.0 2,-0.1 2,-0.0 -1,-0.1 -0.928 19.0-131.7-108.7 112.5 32.1 -52.2 10.7 29 31 A V - 0 0 21 -2,-0.6 2,-0.8 1,-0.1 48,-0.0 -0.371 7.8-141.6 -66.0 131.5 32.6 -48.5 10.6 30 32 A E - 0 0 144 -2,-0.1 2,-0.3 69,-0.0 68,-0.3 -0.852 24.9-145.4 -93.0 110.6 34.5 -47.1 7.7 31 33 A W - 0 0 125 -2,-0.8 68,-0.2 66,-0.1 2,-0.1 -0.564 12.5-161.7 -85.4 136.2 36.7 -44.3 9.1 32 34 A G - 0 0 22 66,-3.4 2,-0.7 -2,-0.3 68,-0.4 -0.184 40.6 -71.8 -92.5-164.8 37.6 -41.1 7.3 33 35 A N > - 0 0 93 1,-0.2 3,-2.5 66,-0.1 4,-0.3 -0.820 31.1-160.7 -99.0 109.6 40.4 -38.6 8.0 34 36 A Q G > S+ 0 0 75 -2,-0.7 3,-1.4 1,-0.3 -1,-0.2 0.788 90.1 67.3 -60.5 -26.1 39.9 -36.6 11.1 35 37 A D G 3 S+ 0 0 98 1,-0.2 -1,-0.3 -3,-0.1 22,-0.1 0.610 84.2 74.5 -70.2 -8.4 42.4 -34.0 9.8 36 38 A D G < S+ 0 0 38 -3,-2.5 21,-2.6 20,-0.1 22,-0.5 0.732 91.6 63.2 -72.6 -21.6 40.0 -33.1 7.0 37 39 A Y E < -A 56 0A 28 -3,-1.4 2,-0.5 -4,-0.3 19,-0.2 -0.891 61.8-164.3-117.6 133.2 37.7 -31.2 9.4 38 40 A Q E -A 55 0A 110 17,-2.5 17,-1.9 -2,-0.4 2,-0.1 -0.960 23.7-127.8-116.2 118.5 38.5 -28.1 11.5 39 41 A L E +A 54 0A 82 -2,-0.5 15,-0.3 15,-0.2 3,-0.1 -0.364 28.8 174.5 -64.1 136.8 36.2 -27.1 14.3 40 42 A V E - 0 0 86 13,-2.9 2,-0.3 1,-0.3 14,-0.2 0.754 59.8 -12.1-113.3 -46.1 34.9 -23.5 14.1 41 43 A R E -A 53 0A 143 12,-1.6 12,-2.9 0, 0.0 -1,-0.3 -0.973 62.8-109.3-160.5 149.7 32.4 -23.1 16.9 42 44 A K E -A 52 0A 93 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.600 24.9-174.6 -76.6 135.6 30.4 -25.1 19.5 43 45 A L E - 0 0 83 8,-3.3 2,-0.3 1,-0.4 9,-0.2 0.713 55.1 -69.5-102.2 -28.4 26.7 -25.1 18.6 44 46 A G E -A 51 0A 28 7,-1.3 7,-2.7 2,-0.0 -1,-0.4 -0.940 41.0-111.3 162.6 176.9 25.5 -27.0 21.7 45 47 A R E -A 50 0A 159 -2,-0.3 5,-0.2 5,-0.2 2,-0.1 -0.990 17.4-165.2-143.0 142.9 25.5 -30.3 23.5 46 48 A G - 0 0 42 3,-1.8 3,-0.2 -2,-0.3 -2,-0.0 -0.286 50.8 -80.6-101.4-167.5 22.8 -32.8 24.3 47 49 A K S S+ 0 0 148 1,-0.2 3,-0.1 -2,-0.1 -2,-0.0 0.698 129.1 34.4 -68.4 -18.2 22.9 -35.7 26.8 48 50 A Y S S- 0 0 68 1,-0.2 21,-3.7 20,-0.0 2,-0.3 0.507 121.6 -2.2-120.2 -6.6 24.8 -37.8 24.3 49 51 A S E - B 0 68A 8 19,-0.3 -3,-1.8 -3,-0.2 2,-0.4 -0.986 55.6-112.8-170.1 170.4 27.1 -35.5 22.3 50 52 A E E -AB 45 67A 49 17,-2.0 17,-2.5 -2,-0.3 2,-0.5 -0.978 28.2-150.5-119.8 141.0 28.5 -32.1 21.5 51 53 A V E -AB 44 66A 40 -7,-2.7 -8,-3.3 -2,-0.4 -7,-1.3 -0.943 14.5-175.2-119.6 130.6 27.8 -30.5 18.1 52 54 A F E -AB 42 65A 28 13,-2.8 13,-3.1 -2,-0.5 2,-0.3 -0.932 27.5-126.0-122.9 142.4 30.2 -28.1 16.4 53 55 A E E +AB 41 64A 15 -12,-2.9 -13,-2.9 -2,-0.4 -12,-1.6 -0.666 46.8 166.8 -73.3 145.7 30.1 -26.0 13.2 54 56 A A E -AB 39 63A 1 9,-2.5 9,-2.3 -2,-0.3 2,-0.4 -0.916 33.6-118.4-152.0 174.7 33.2 -26.9 11.2 55 57 A I E -AB 38 62A 49 -17,-1.9 -17,-2.5 -2,-0.3 2,-0.8 -0.979 16.2-136.7-124.2 138.0 34.9 -26.6 7.9 56 58 A N E >>> -AB 37 61A 17 5,-2.9 4,-2.0 -2,-0.4 3,-1.7 -0.847 17.3-161.4 -90.2 107.0 35.9 -29.4 5.6 57 59 A I T 345S+ 0 0 78 -21,-2.6 -1,-0.1 -2,-0.8 -20,-0.1 0.546 81.9 69.1 -75.2 -5.4 39.4 -28.2 4.4 58 60 A T T 345S+ 0 0 90 -22,-0.5 -1,-0.3 1,-0.1 -21,-0.1 0.616 126.4 6.9 -82.2 -12.1 39.4 -30.6 1.4 59 61 A N T <45S- 0 0 77 -3,-1.7 -2,-0.2 2,-0.1 -1,-0.1 0.323 96.5-119.7-147.9 0.5 36.7 -28.5 -0.2 60 62 A N T <5 + 0 0 120 -4,-2.0 2,-0.2 1,-0.2 -3,-0.2 0.639 63.2 146.5 63.7 17.5 36.2 -25.5 2.1 61 63 A E E < -B 56 0A 113 -5,-0.8 -5,-2.9 1,-0.1 2,-0.2 -0.542 52.7-113.5 -84.2 148.1 32.6 -26.4 2.7 62 64 A K E +B 55 0A 118 -7,-0.2 51,-0.6 -2,-0.2 2,-0.3 -0.586 44.6 164.7 -72.4 142.6 30.8 -25.8 6.0 63 65 A V E -BC 54 112A 10 -9,-2.3 -9,-2.5 -2,-0.2 2,-0.4 -0.853 32.2-119.1-142.9 179.8 29.8 -29.0 7.8 64 66 A V E -BC 53 111A 22 47,-2.2 47,-2.7 -2,-0.3 2,-0.5 -0.973 18.8-151.4-126.8 140.2 28.7 -30.0 11.3 65 67 A V E -BC 52 110A 6 -13,-3.1 -13,-2.8 -2,-0.4 2,-0.7 -0.962 4.2-164.5-119.7 125.3 30.5 -32.3 13.6 66 68 A K E -BC 51 109A 11 43,-3.1 43,-2.5 -2,-0.5 2,-0.7 -0.876 6.6-163.0-110.0 100.4 28.8 -34.4 16.3 67 69 A I E -BC 50 108A 17 -17,-2.5 -17,-2.0 -2,-0.7 41,-0.2 -0.754 20.3-133.5 -88.1 113.6 31.3 -35.8 18.8 68 70 A L E -B 49 0A 8 39,-2.0 -19,-0.3 -2,-0.7 -20,-0.0 -0.414 13.3-121.5 -71.6 137.8 29.6 -38.6 20.7 69 71 A K - 0 0 69 -21,-3.7 2,-2.8 -2,-0.1 -1,-0.1 -0.541 35.1-104.1 -73.0 143.3 29.9 -38.8 24.5 70 72 A P S S+ 0 0 81 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.413 84.3 113.8 -70.0 72.7 31.4 -42.0 25.7 71 73 A V + 0 0 57 -2,-2.8 -2,-0.1 -23,-0.2 5,-0.1 -0.994 69.3 4.3-146.3 137.9 28.1 -43.5 26.8 72 74 A K >> - 0 0 105 -2,-0.3 3,-0.9 1,-0.1 4,-0.6 0.977 61.2-164.4 54.9 69.9 26.0 -46.4 25.6 73 75 A K H >> S+ 0 0 130 1,-0.2 4,-0.9 2,-0.2 3,-0.7 0.762 83.2 65.0 -56.5 -29.3 28.4 -47.8 23.0 74 76 A K H 3> S+ 0 0 120 1,-0.2 4,-1.5 2,-0.2 3,-0.5 0.922 95.9 56.4 -58.2 -48.4 25.5 -49.9 21.5 75 77 A K H <> S+ 0 0 16 -3,-0.9 4,-2.5 1,-0.2 -1,-0.2 0.720 96.0 69.1 -54.1 -26.6 23.7 -46.7 20.4 76 78 A I H < S+ 0 0 0 -4,-1.9 3,-2.3 -5,-0.1 -1,-0.2 0.474 83.7 131.4 -97.0 -4.7 18.8 -43.7 4.9 87 89 A R T 3< S+ 0 0 103 -4,-0.9 7,-0.1 -3,-0.4 6,-0.1 -0.229 75.6 18.6 -59.0 132.4 21.5 -41.6 3.1 88 90 A G T 3 S+ 0 0 71 4,-0.3 -1,-0.3 1,-0.3 3,-0.1 0.329 93.7 134.0 88.6 -7.4 20.2 -39.9 0.0 89 91 A G S X S- 0 0 9 -3,-2.3 3,-1.5 1,-0.1 -1,-0.3 -0.309 72.1 -74.0 -71.3 159.8 16.6 -40.4 1.1 90 92 A P T 3 S- 0 0 57 0, 0.0 54,-0.2 0, 0.0 -1,-0.1 -0.371 109.9 -13.7 -63.1 124.3 14.2 -37.4 0.9 91 93 A N T 3 S+ 0 0 19 1,-0.2 80,-3.1 -2,-0.2 2,-0.5 0.658 95.4 137.2 65.7 19.7 14.9 -34.8 3.5 92 94 A I B < -e 171 0B 3 -3,-1.5 -4,-0.3 78,-0.2 -1,-0.2 -0.859 63.4-109.1 -94.8 128.1 17.1 -37.1 5.6 93 95 A I - 0 0 6 78,-1.8 2,-0.5 -2,-0.5 -4,-0.1 -0.282 36.7-118.2 -56.7 141.5 20.2 -35.3 6.9 94 96 A T - 0 0 49 -7,-0.1 18,-2.1 -6,-0.1 2,-0.9 -0.748 11.0-145.3 -90.4 125.7 23.3 -36.6 5.1 95 97 A L E -D 111 0A 2 -2,-0.5 16,-0.3 -12,-0.3 3,-0.1 -0.817 20.8-179.0 -83.1 108.7 26.1 -38.3 7.0 96 98 A A E - 0 0 57 14,-2.6 2,-0.3 -2,-0.9 15,-0.2 0.804 57.0 -21.1 -82.5 -32.9 29.2 -37.1 5.1 97 99 A D E -D 110 0A 31 13,-1.5 13,-2.6 -65,-0.1 2,-0.4 -0.973 48.8-135.6-165.3 170.3 31.9 -38.9 7.1 98 100 A I E +D 109 0A 4 -2,-0.3 -66,-3.4 -68,-0.3 2,-0.3 -0.984 28.2 173.2-140.1 130.4 32.8 -40.6 10.3 99 101 A V E -D 108 0A 7 9,-2.1 9,-3.3 -2,-0.4 2,-0.7 -0.935 35.5-111.7-137.3 157.7 36.1 -39.9 12.0 100 102 A K E -D 107 0A 98 -68,-0.4 -66,-0.1 -2,-0.3 -33,-0.0 -0.825 31.3-137.9 -90.5 116.9 37.8 -40.8 15.3 101 103 A D > - 0 0 22 5,-2.7 4,-1.4 -2,-0.7 5,-0.4 -0.650 5.3-149.5 -74.5 129.1 38.2 -37.7 17.5 102 104 A P T 4 S+ 0 0 86 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.696 91.7 44.7 -75.0 -18.5 41.6 -37.8 19.2 103 105 A V T 4 S+ 0 0 125 3,-0.1 -2,-0.0 1,-0.1 -3,-0.0 0.921 120.7 33.1 -88.0 -54.6 40.5 -35.9 22.3 104 106 A S T 4 S- 0 0 38 2,-0.2 -1,-0.1 1,-0.1 -4,-0.0 0.756 94.9-138.4 -73.6 -23.0 37.2 -37.5 23.2 105 107 A R < + 0 0 199 -4,-1.4 -1,-0.1 1,-0.3 -5,-0.0 0.764 68.1 105.6 66.1 28.8 38.5 -40.9 21.9 106 108 A T S S- 0 0 6 -5,-0.4 -5,-2.7 -38,-0.0 -1,-0.3 -0.830 81.0 -78.5-130.2 168.6 35.0 -41.4 20.4 107 109 A P E - D 0 100A 17 0, 0.0 -39,-2.0 0, 0.0 2,-0.5 -0.424 37.0-155.1 -66.6 142.7 33.4 -41.4 16.9 108 110 A A E -CD 67 99A 0 -9,-3.3 -9,-2.1 -41,-0.2 2,-0.4 -0.988 9.0-146.3-119.8 117.9 32.7 -37.9 15.5 109 111 A L E -CD 66 98A 0 -43,-2.5 -43,-3.1 -2,-0.5 2,-0.6 -0.706 6.3-150.0 -86.1 133.4 29.9 -37.9 12.9 110 112 A V E -CD 65 97A 0 -13,-2.6 -14,-2.6 -2,-0.4 -13,-1.5 -0.915 20.9-176.4-106.1 117.3 30.2 -35.3 10.1 111 113 A F E -CD 64 95A 14 -47,-2.7 -47,-2.2 -2,-0.6 -16,-0.2 -0.760 33.4 -93.8-113.0 156.5 26.9 -34.0 8.7 112 114 A E E -C 63 0A 41 -18,-2.1 2,-0.4 -2,-0.3 -49,-0.2 -0.282 47.9-115.3 -57.4 150.7 25.9 -31.7 5.9 113 115 A H - 0 0 42 -51,-0.6 2,-0.5 -50,-0.1 -1,-0.1 -0.781 25.6-162.8 -95.7 137.9 25.4 -28.2 7.2 114 116 A V - 0 0 15 -2,-0.4 2,-1.9 48,-0.0 48,-0.1 -0.987 17.3-140.8-118.8 124.5 21.9 -26.6 7.0 115 117 A N + 0 0 92 -2,-0.5 50,-0.3 46,-0.1 49,-0.2 -0.572 44.2 176.1 -81.3 79.7 21.6 -22.8 7.4 116 118 A N - 0 0 57 -2,-1.9 2,-0.6 47,-0.2 47,-0.3 -0.411 38.1-132.3 -92.7 160.4 18.5 -23.0 9.5 117 119 A T - 0 0 42 45,-2.1 45,-0.3 -2,-0.1 5,-0.1 -0.960 43.2-110.1-102.9 121.9 16.3 -20.5 11.4 118 120 A D >> - 0 0 52 -2,-0.6 4,-3.2 1,-0.1 3,-1.2 -0.151 21.0-122.6 -56.6 144.5 15.8 -21.8 14.9 119 121 A F H 3> S+ 0 0 31 1,-0.3 4,-2.6 2,-0.2 5,-0.3 0.828 109.0 64.5 -61.4 -33.2 12.2 -23.0 15.5 120 122 A K H 34 S+ 0 0 138 1,-0.2 -1,-0.3 2,-0.2 4,-0.2 0.855 117.5 28.7 -58.1 -34.8 11.7 -20.6 18.5 121 123 A Q H X4 S+ 0 0 134 -3,-1.2 3,-0.8 2,-0.1 4,-0.4 0.875 120.2 53.5 -88.5 -47.1 12.0 -17.8 15.9 122 124 A L H >X S+ 0 0 4 -4,-3.2 3,-2.1 1,-0.2 4,-1.1 0.874 99.4 60.7 -57.8 -43.7 10.7 -19.5 12.8 123 125 A Y T 3< S+ 0 0 17 -4,-2.6 -1,-0.2 1,-0.3 -3,-0.1 0.782 94.7 64.6 -62.5 -26.3 7.4 -20.7 14.2 124 126 A Q T <4 S+ 0 0 128 -3,-0.8 -1,-0.3 -5,-0.3 -2,-0.2 0.705 111.9 35.0 -62.7 -22.2 6.4 -17.0 14.9 125 127 A T T <4 S+ 0 0 81 -3,-2.1 -2,-0.2 -4,-0.4 -1,-0.2 0.569 80.1 124.2-117.4 -13.1 6.4 -16.3 11.2 126 128 A L < - 0 0 5 -4,-1.1 2,-0.2 -3,-0.1 -3,-0.0 -0.211 49.3-145.1 -50.1 134.9 5.2 -19.5 9.4 127 129 A T > - 0 0 65 1,-0.1 4,-2.3 163,-0.0 5,-0.2 -0.514 30.4 -99.3 -91.4 170.0 2.2 -18.8 7.2 128 130 A D H > S+ 0 0 42 161,-0.2 4,-1.7 1,-0.2 5,-0.2 0.895 128.4 48.6 -52.2 -42.6 -0.7 -21.2 6.6 129 131 A Y H > S+ 0 0 77 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.945 108.3 52.8 -66.3 -46.4 1.1 -22.1 3.3 130 132 A D H > S+ 0 0 13 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.893 108.2 51.3 -54.3 -44.3 4.5 -22.6 5.0 131 133 A I H X S+ 0 0 1 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.899 112.7 43.8 -63.7 -43.1 3.0 -25.0 7.5 132 134 A R H X S+ 0 0 23 -4,-1.7 4,-2.0 -5,-0.2 -1,-0.2 0.929 115.6 50.4 -66.9 -43.6 1.4 -27.2 5.0 133 135 A F H X S+ 0 0 33 -4,-2.8 4,-1.7 1,-0.2 -2,-0.2 0.955 115.5 40.1 -57.9 -54.0 4.5 -27.1 2.8 134 136 A Y H X S+ 0 0 3 -4,-3.1 4,-2.3 1,-0.2 -1,-0.2 0.847 111.5 56.8 -68.9 -34.9 6.9 -28.0 5.6 135 137 A M H X S+ 0 0 1 -4,-2.2 4,-2.2 -5,-0.3 -1,-0.2 0.912 107.3 50.7 -58.2 -40.7 4.5 -30.6 7.0 136 138 A Y H X S+ 0 0 34 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.887 108.2 51.0 -68.2 -37.5 4.6 -32.2 3.6 137 139 A E H X S+ 0 0 24 -4,-1.7 4,-1.5 2,-0.2 -1,-0.2 0.872 109.0 51.7 -66.7 -36.3 8.4 -32.2 3.5 138 140 A I H X S+ 0 0 3 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.932 106.7 53.9 -63.6 -43.3 8.5 -33.9 7.0 139 141 A L H X S+ 0 0 0 -4,-2.2 4,-3.4 1,-0.2 5,-0.4 0.882 102.7 57.2 -60.2 -39.8 6.1 -36.6 5.8 140 142 A K H X S+ 0 0 69 -4,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.946 109.7 45.6 -53.7 -48.1 8.4 -37.4 2.8 141 143 A A H X S+ 0 0 0 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.907 115.2 46.6 -64.5 -39.5 11.2 -38.0 5.3 142 144 A L H X S+ 0 0 0 -4,-2.4 4,-3.0 2,-0.2 5,-0.3 0.941 111.3 48.9 -74.4 -45.4 9.0 -40.1 7.6 143 145 A D H X S+ 0 0 23 -4,-3.4 4,-2.7 2,-0.2 -1,-0.2 0.927 112.5 53.0 -54.9 -41.3 7.4 -42.3 4.9 144 146 A Y H X S+ 0 0 55 -4,-2.1 4,-1.1 -5,-0.4 -2,-0.2 0.982 112.6 39.9 -59.2 -57.8 10.9 -42.8 3.6 145 147 A C H <>S+ 0 0 0 -4,-2.5 5,-2.7 1,-0.2 3,-0.5 0.900 117.1 49.6 -63.9 -39.4 12.4 -44.0 6.9 146 148 A H H ><5S+ 0 0 7 -4,-3.0 3,-2.1 1,-0.2 -1,-0.2 0.922 109.0 52.9 -60.1 -41.9 9.3 -46.1 7.8 147 149 A S H 3<5S+ 0 0 34 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.716 107.8 52.8 -68.4 -17.4 9.4 -47.7 4.4 148 150 A M T 3<5S- 0 0 23 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.252 125.8-104.3 -99.8 9.3 13.1 -48.5 5.1 149 151 A G T < 5S+ 0 0 0 -3,-2.1 31,-2.5 1,-0.2 2,-0.4 0.744 81.3 119.4 81.1 27.0 12.0 -50.2 8.4 150 152 A I E < -G 179 0C 0 -5,-2.7 2,-0.4 29,-0.2 29,-0.2 -0.973 46.5-156.4-129.7 133.7 13.1 -47.5 10.8 151 153 A M E -G 178 0C 0 27,-2.7 27,-2.0 -2,-0.4 58,-0.1 -0.897 9.7-150.7-105.7 142.3 11.3 -45.3 13.3 152 154 A H - 0 0 0 -2,-0.4 24,-0.2 25,-0.2 -1,-0.1 0.949 15.1-171.8 -76.3 -52.4 12.8 -42.0 14.3 153 155 A R + 0 0 7 56,-0.1 38,-0.5 24,-0.1 -1,-0.1 0.481 69.9 67.9 73.5 6.0 11.4 -41.8 17.9 154 156 A D + 0 0 11 37,-0.1 2,-0.5 36,-0.1 5,-0.2 -0.100 59.0 156.8-144.4 41.2 12.5 -38.2 18.5 155 157 A V + 0 0 0 40,-0.1 37,-0.2 3,-0.1 64,-0.1 -0.574 21.3 130.7 -73.6 122.7 10.4 -36.1 16.2 156 158 A K S > S- 0 0 54 -2,-0.5 3,-1.3 35,-0.1 4,-0.5 -0.963 71.2 -90.1-165.1 162.3 10.3 -32.6 17.5 157 159 A P G > S+ 0 0 4 0, 0.0 3,-1.5 0, 0.0 -38,-0.1 0.850 122.2 56.0 -51.7 -41.3 10.8 -29.0 16.2 158 160 A H G 3 S+ 0 0 87 1,-0.3 -3,-0.1 3,-0.1 14,-0.0 0.817 106.1 51.9 -60.8 -31.9 14.5 -29.0 17.1 159 161 A N G < S+ 0 0 0 -3,-1.3 13,-2.8 1,-0.2 2,-0.7 0.448 95.6 74.2 -86.9 0.2 15.1 -32.1 15.0 160 162 A V E < S-F 171 0B 6 -3,-1.5 2,-0.4 -4,-0.5 11,-0.2 -0.808 73.7-164.8-112.5 87.0 13.4 -30.6 11.9 161 163 A M E -F 170 0B 32 9,-2.1 9,-2.6 -2,-0.7 2,-0.5 -0.605 5.6-167.7 -78.3 127.8 16.0 -28.2 10.7 162 164 A I E -F 169 0B 5 -2,-0.4 -45,-2.1 -45,-0.3 2,-0.9 -0.960 22.6-160.0-126.6 118.2 14.6 -25.7 8.1 163 165 A D E >> -F 168 0B 5 5,-2.9 5,-2.4 -2,-0.5 4,-0.6 -0.854 15.8-169.1 -85.6 103.5 16.5 -23.3 5.9 164 166 A H T 45S+ 0 0 49 -2,-0.9 -1,-0.2 3,-0.2 -48,-0.1 0.711 77.7 62.3 -74.0 -19.7 13.6 -20.9 5.3 165 167 A E T 45S+ 0 0 136 -50,-0.3 -1,-0.2 1,-0.2 -49,-0.1 0.941 117.5 25.3 -69.0 -49.8 15.4 -19.1 2.5 166 168 A H T 45S- 0 0 117 2,-0.1 -1,-0.2 -3,-0.1 -2,-0.2 0.346 107.2-119.8 -97.6 7.0 15.8 -22.1 0.2 167 169 A R T <5 + 0 0 75 -4,-0.6 2,-0.4 1,-0.2 -3,-0.2 0.923 59.9 158.9 54.2 46.4 12.7 -23.8 1.6 168 170 A K E < - F 0 163B 63 -5,-2.4 -5,-2.9 2,-0.0 2,-0.4 -0.888 22.4-169.8-107.9 131.7 15.0 -26.7 2.6 169 171 A L E - F 0 162B 1 -2,-0.4 2,-0.4 -7,-0.2 -7,-0.2 -0.963 4.9-177.1-124.5 135.3 14.1 -29.2 5.4 170 172 A R E - F 0 161B 49 -9,-2.6 -9,-2.1 -2,-0.4 2,-0.7 -0.994 21.1-141.7-131.6 131.7 16.2 -31.9 7.0 171 173 A L E -eF 92 160B 2 -80,-3.1 -78,-1.8 -2,-0.4 -11,-0.2 -0.803 36.7-179.0 -87.9 118.4 15.2 -34.5 9.7 172 174 A I + 0 0 29 -13,-2.8 -13,-0.1 -2,-0.7 -14,-0.0 -0.475 38.3 49.5-114.2-179.6 18.2 -34.8 12.1 173 175 A D > + 0 0 55 -2,-0.2 3,-0.5 1,-0.1 -1,-0.2 0.965 41.9 176.3 50.4 76.6 19.4 -36.6 15.2 174 176 A W G > + 0 0 0 1,-0.2 3,-0.7 2,-0.1 -1,-0.1 0.074 47.1 115.3 -89.1 19.8 18.8 -40.3 14.5 175 177 A G G 3 S+ 0 0 2 1,-0.3 -1,-0.2 -21,-0.1 -96,-0.2 0.674 81.4 39.6 -67.6 -18.8 20.4 -41.1 17.8 176 178 A L G < S+ 0 0 24 -3,-0.5 -1,-0.3 -24,-0.2 -2,-0.1 0.490 91.3 118.5-104.8 -6.5 17.1 -42.4 19.2 177 179 A A < - 0 0 0 -3,-0.7 2,-0.3 -23,-0.1 -25,-0.2 -0.205 41.1-172.6 -64.2 151.6 16.0 -44.2 16.0 178 180 A E E -G 151 0C 18 -27,-2.0 -27,-2.7 -96,-0.0 2,-0.3 -0.963 28.1-104.3-141.8 157.4 15.5 -48.0 15.9 179 181 A F E -G 150 0C 0 -2,-0.3 2,-0.6 -29,-0.2 -29,-0.2 -0.643 36.3-128.4 -78.2 136.1 14.7 -50.8 13.5 180 182 A Y + 0 0 3 -31,-2.5 -166,-0.5 -2,-0.3 28,-0.1 -0.798 30.5 174.4 -90.7 122.9 11.2 -52.0 13.5 181 183 A H > - 0 0 35 -2,-0.6 3,-2.3 -167,-0.1 -169,-0.1 -0.997 40.4-104.5-124.1 127.3 10.8 -55.8 13.9 182 184 A P T 3 S+ 0 0 36 0, 0.0 -176,-0.1 0, 0.0 3,-0.1 -0.254 103.9 10.7 -55.4 131.4 7.3 -57.2 14.3 183 185 A G T 3 S+ 0 0 26 -178,-0.6 2,-0.2 1,-0.3 -177,-0.1 0.381 92.2 139.9 85.3 -4.7 6.6 -58.2 17.9 184 186 A Q < - 0 0 72 -3,-2.3 2,-0.5 23,-0.1 -1,-0.3 -0.486 47.9-136.7 -72.5 138.9 9.7 -56.6 19.3 185 187 A E - 0 0 111 -2,-0.2 2,-0.2 21,-0.1 21,-0.2 -0.865 24.6-162.6 -97.9 132.2 9.3 -54.7 22.6 186 188 A Y - 0 0 7 19,-3.0 2,-0.3 -2,-0.5 21,-0.1 -0.714 27.4 -91.8-114.3 161.5 11.1 -51.3 22.8 187 189 A N - 0 0 84 -2,-0.2 -1,-0.0 1,-0.1 13,-0.0 -0.545 26.4-154.1 -67.7 130.7 12.2 -48.9 25.5 188 190 A V S S+ 0 0 23 -2,-0.3 2,-2.0 1,-0.2 -1,-0.1 0.566 74.7 93.8 -84.4 -9.9 9.4 -46.4 26.2 189 191 A R + 0 0 209 7,-0.0 2,-0.3 0, 0.0 -1,-0.2 -0.456 64.3 107.4 -83.6 67.7 12.0 -43.8 27.4 190 192 A V + 0 0 4 -2,-2.0 -36,-0.1 2,-0.1 -37,-0.1 -0.861 50.6 35.3-135.4 170.6 12.3 -42.1 24.0 191 193 A A S S- 0 0 13 -38,-0.5 2,-0.2 -2,-0.3 -37,-0.1 0.281 91.7 -68.1 67.7 159.3 11.2 -38.7 22.5 192 194 A S >> - 0 0 30 -37,-0.2 3,-1.7 1,-0.1 4,-0.5 -0.557 53.4-106.7 -74.1 148.8 11.0 -35.4 24.3 193 195 A R G >4 S+ 0 0 84 1,-0.3 3,-1.3 -2,-0.2 -1,-0.1 0.853 117.0 52.1 -42.0 -51.5 8.2 -35.2 27.0 194 196 A Y G 34 S+ 0 0 55 1,-0.3 37,-0.3 39,-0.1 -1,-0.3 0.713 114.9 42.8 -66.9 -17.5 5.8 -33.0 25.0 195 197 A F G <4 S+ 0 0 5 -3,-1.7 -1,-0.3 2,-0.1 -2,-0.2 0.319 81.1 126.4-114.4 7.2 6.0 -35.3 22.0 196 198 A K << - 0 0 19 -3,-1.3 -5,-0.1 -4,-0.5 -7,-0.0 -0.471 59.4-123.9 -68.3 131.8 5.7 -38.7 23.7 197 199 A G >> - 0 0 0 -2,-0.2 4,-1.8 1,-0.1 3,-1.3 -0.401 22.5-110.1 -73.6 152.7 2.9 -40.9 22.3 198 200 A P H 3> S+ 0 0 0 0, 0.0 4,-1.6 0, 0.0 6,-0.2 0.817 119.2 65.2 -48.2 -33.5 0.2 -42.3 24.7 199 201 A E H 34>S+ 0 0 0 1,-0.2 5,-3.2 2,-0.2 4,-0.1 0.883 105.0 42.0 -57.5 -40.6 1.9 -45.7 24.1 200 202 A L H X45S+ 0 0 9 -3,-1.3 3,-0.9 3,-0.2 -1,-0.2 0.876 113.0 54.7 -73.0 -34.8 5.1 -44.5 25.8 201 203 A L H 3<5S+ 0 0 18 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.697 111.8 41.8 -76.4 -22.0 3.0 -42.8 28.5 202 204 A V T 3<5S- 0 0 9 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.224 117.2-110.7-106.8 11.7 1.1 -45.9 29.5 203 205 A D T < 5 + 0 0 107 -3,-0.9 2,-0.7 1,-0.2 -3,-0.2 0.850 59.2 158.3 68.6 38.1 4.2 -48.1 29.2 204 206 A Y < - 0 0 6 -5,-3.2 -1,-0.2 -6,-0.2 3,-0.2 -0.860 17.9-174.5 -97.0 116.2 3.2 -50.1 26.1 205 207 A Q + 0 0 74 -2,-0.7 -19,-3.0 1,-0.2 2,-1.2 0.641 64.0 78.4 -90.5 -18.0 6.4 -51.5 24.6 206 208 A M + 0 0 25 -21,-0.2 -1,-0.2 -7,-0.1 -21,-0.1 -0.317 68.6 138.3 -90.5 53.1 5.3 -53.1 21.3 207 209 A Y - 0 0 0 -2,-1.2 2,-0.2 -3,-0.2 -200,-0.1 -0.157 27.8-177.4 -90.2-173.8 5.0 -49.8 19.4 208 210 A D > - 0 0 6 -202,-0.1 3,-2.5 -28,-0.1 4,-0.3 -0.800 50.8 -38.6-163.8-165.4 6.0 -48.9 15.9 209 211 A Y T >> S+ 0 0 5 1,-0.3 3,-1.5 -2,-0.2 4,-0.6 0.772 116.0 76.5 -48.9 -32.2 6.3 -46.2 13.2 210 212 A S H 3> S+ 0 0 14 1,-0.3 4,-1.2 2,-0.2 3,-0.4 0.696 77.9 74.0 -59.2 -18.7 3.0 -44.7 14.3 211 213 A L H X> S+ 0 0 0 -3,-2.5 4,-1.9 1,-0.2 3,-0.6 0.930 93.1 53.7 -55.2 -46.5 4.8 -43.2 17.3 212 214 A D H <> S+ 0 0 0 -3,-1.5 4,-2.3 -4,-0.3 -1,-0.2 0.787 101.9 59.5 -59.6 -27.6 6.3 -40.6 15.0 213 215 A M H 3X S+ 0 0 1 -4,-0.6 4,-1.7 -3,-0.4 -1,-0.2 0.843 103.0 50.4 -78.3 -30.6 2.9 -39.7 13.7 214 216 A W H S+ 0 0 3 -4,-2.0 5,-1.4 -3,-0.2 4,-0.4 0.856 114.7 44.5 -68.4 -32.8 1.7 -26.3 18.1 223 225 A M H <5S+ 0 0 9 -4,-2.1 3,-0.3 -3,-0.2 -2,-0.2 0.962 116.8 39.8 -77.2 -54.0 2.1 -24.7 14.7 224 226 A I H <5S+ 0 0 0 -4,-2.9 66,-0.3 1,-0.2 -3,-0.2 0.822 125.2 38.3 -66.8 -32.0 -1.6 -24.1 13.6 225 227 A F T <5S- 0 0 4 -4,-1.6 -1,-0.2 -5,-0.4 -2,-0.2 0.508 104.7-128.8 -95.0 -7.2 -2.7 -23.0 17.1 226 228 A R T 5 + 0 0 90 -4,-0.4 2,-0.3 -3,-0.3 -3,-0.2 0.955 68.2 124.0 56.3 51.2 0.5 -21.1 17.8 227 229 A K < - 0 0 93 -5,-1.4 -1,-0.2 -6,-0.3 -2,-0.1 -0.846 53.2-141.7-139.3 103.0 1.1 -22.8 21.2 228 230 A E S S+ 0 0 72 -2,-0.3 2,-0.1 1,-0.2 -9,-0.1 -0.959 88.1 18.7-119.8 121.2 4.6 -24.5 21.4 229 231 A P S S- 0 0 9 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.664 81.5-161.9 -79.9 160.6 4.6 -27.1 22.8 230 232 A F S S+ 0 0 11 -12,-0.3 2,-0.9 1,-0.2 -2,-0.1 0.972 84.6 42.6 -71.9 -58.5 0.9 -27.9 22.6 231 233 A F S S- 0 0 5 -37,-0.3 2,-0.7 1,-0.1 -1,-0.2 -0.828 78.2-175.4 -88.3 107.6 0.7 -30.5 25.4 232 234 A H + 0 0 78 -2,-0.9 -1,-0.1 -3,-0.1 -38,-0.0 -0.560 8.2 174.4-113.4 66.4 2.9 -28.9 28.0 233 235 A G - 0 0 1 -2,-0.7 3,-0.1 1,-0.1 -39,-0.1 -0.308 34.4-139.6 -76.9 157.2 3.1 -31.3 30.9 234 236 A H S S- 0 0 129 1,-0.1 2,-0.3 -41,-0.1 -1,-0.1 0.650 85.3 -9.5 -87.2 -20.4 5.3 -30.9 34.0 235 237 A D S > S- 0 0 72 -42,-0.1 4,-2.1 0, 0.0 -1,-0.1 -0.909 90.3 -77.6-161.3-178.5 6.4 -34.6 34.0 236 238 A N H > S+ 0 0 71 -2,-0.3 4,-0.9 2,-0.2 -3,-0.0 0.719 126.8 48.0 -66.8 -21.6 5.4 -37.8 32.3 237 239 A Y H > S+ 0 0 72 2,-0.2 4,-1.7 1,-0.1 3,-0.3 0.918 112.8 45.8 -83.7 -46.7 2.3 -38.3 34.3 238 240 A D H > S+ 0 0 37 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.837 105.3 64.6 -64.3 -31.7 0.9 -34.8 33.9 239 241 A Q H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.945 103.9 45.1 -55.0 -48.0 1.8 -35.1 30.2 240 242 A L H X S+ 0 0 0 -4,-0.9 4,-2.5 -3,-0.3 -1,-0.2 0.874 111.6 53.0 -65.8 -34.9 -0.8 -37.9 29.9 241 243 A V H X S+ 0 0 8 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.918 106.5 52.7 -65.7 -41.8 -3.3 -35.9 31.9 242 244 A R H X S+ 0 0 88 -4,-2.9 4,-0.5 1,-0.2 3,-0.3 0.924 111.3 46.8 -57.4 -45.4 -2.9 -32.9 29.7 243 245 A I H >X S+ 0 0 0 -4,-2.0 4,-3.0 1,-0.2 3,-1.6 0.923 109.6 53.8 -62.3 -43.7 -3.6 -35.1 26.7 244 246 A A H 3X S+ 0 0 0 -4,-2.5 4,-1.3 1,-0.3 -1,-0.2 0.751 98.1 63.7 -67.6 -23.7 -6.6 -36.6 28.4 245 247 A K H 3< S+ 0 0 110 -4,-1.7 -1,-0.3 -3,-0.3 -2,-0.2 0.702 116.1 31.3 -70.1 -18.5 -8.1 -33.2 29.0 246 248 A V H << S+ 0 0 14 -3,-1.6 31,-3.1 -4,-0.5 -2,-0.2 0.822 128.8 34.5-101.9 -49.7 -8.3 -32.8 25.2 247 249 A L H < S- 0 0 1 -4,-3.0 4,-0.3 29,-0.2 29,-0.2 0.642 111.1-122.7 -85.1 -15.0 -8.9 -36.4 23.9 248 250 A G X - 0 0 2 -4,-1.3 4,-0.7 -5,-0.4 27,-0.2 0.144 10.2 -99.5 90.8 155.1 -11.0 -37.3 26.9 249 251 A T H > S+ 0 0 5 25,-2.6 4,-2.5 1,-0.2 5,-0.2 0.811 111.0 63.7 -82.8 -29.7 -10.7 -40.1 29.5 250 252 A E H > S+ 0 0 124 24,-0.7 4,-2.3 1,-0.2 -1,-0.2 0.889 105.3 45.1 -63.5 -37.7 -13.2 -42.5 28.0 251 253 A D H > S+ 0 0 56 -4,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.796 109.8 56.8 -78.0 -26.1 -11.2 -43.1 24.8 252 254 A L H X S+ 0 0 0 -4,-0.7 4,-2.5 2,-0.2 5,-0.3 0.951 109.1 45.4 -63.7 -50.0 -8.1 -43.4 26.9 253 255 A Y H X S+ 0 0 94 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.909 110.3 54.0 -59.5 -42.5 -9.7 -46.2 28.8 254 256 A D H X S+ 0 0 91 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.932 110.2 49.6 -53.1 -47.1 -10.9 -47.8 25.5 255 257 A Y H X S+ 0 0 6 -4,-2.2 4,-1.5 2,-0.2 3,-0.2 0.960 113.2 41.4 -57.4 -61.2 -7.3 -47.7 24.4 256 258 A I H <>S+ 0 0 5 -4,-2.5 5,-3.5 1,-0.2 -1,-0.2 0.861 115.3 53.8 -60.5 -33.2 -5.7 -49.3 27.4 257 259 A D H ><5S+ 0 0 91 -4,-2.6 3,-1.1 -5,-0.3 -1,-0.2 0.870 102.5 56.9 -66.9 -37.5 -8.6 -51.8 27.5 258 260 A K H 3<5S+ 0 0 90 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.895 116.4 35.2 -59.1 -40.4 -8.0 -52.8 23.8 259 261 A Y T 3<5S- 0 0 1 -4,-1.5 -256,-2.0 -5,-0.1 -1,-0.3 0.236 112.1-120.8 -98.6 12.0 -4.5 -53.8 24.6 260 262 A N T < 5 + 0 0 110 -3,-1.1 2,-0.3 -258,-0.2 -3,-0.2 0.875 59.5 156.9 45.8 46.6 -5.4 -55.0 28.0 261 263 A I < - 0 0 23 -5,-3.5 2,-0.5 -6,-0.2 -1,-0.2 -0.692 35.8-138.6 -96.3 150.5 -3.0 -52.5 29.5 262 264 A E - 0 0 177 -2,-0.3 2,-0.1 -60,-0.2 -5,-0.0 -0.947 16.4-125.2-114.6 128.2 -3.3 -51.2 33.1 263 265 A L - 0 0 21 -2,-0.5 -61,-0.1 1,-0.1 5,-0.1 -0.399 37.2 -96.7 -63.3 144.5 -2.7 -47.6 34.0 264 266 A D > - 0 0 57 1,-0.2 3,-2.0 -2,-0.1 4,-0.2 -0.428 32.6-127.6 -53.9 132.2 -0.1 -46.8 36.7 265 267 A P G > S+ 0 0 88 0, 0.0 3,-1.7 0, 0.0 4,-0.3 0.681 103.0 80.5 -64.7 -14.0 -2.2 -46.5 39.9 266 268 A R G > S+ 0 0 123 1,-0.3 3,-0.7 2,-0.1 4,-0.1 0.771 84.5 62.4 -58.4 -23.4 -0.4 -43.1 40.4 267 269 A F G X> S+ 0 0 5 -3,-2.0 4,-2.5 1,-0.2 3,-1.6 0.676 77.8 93.6 -75.4 -17.5 -3.0 -41.8 37.9 268 270 A N G <4 S+ 0 0 133 -3,-1.7 4,-0.3 1,-0.3 -1,-0.2 0.781 96.2 26.9 -44.0 -42.3 -5.8 -42.7 40.3 269 271 A D G <4 S+ 0 0 143 -3,-0.7 -1,-0.3 -4,-0.3 -2,-0.1 0.257 126.0 44.5-113.7 14.2 -6.0 -39.3 42.0 270 272 A I T <4 S+ 0 0 76 -3,-1.6 -2,-0.2 -4,-0.1 -3,-0.1 0.576 97.6 66.9-123.2 -19.2 -4.7 -37.0 39.2 271 273 A L < + 0 0 6 -4,-2.5 -3,-0.1 1,-0.1 -2,-0.1 0.868 68.9 171.5 -78.9 -38.6 -6.5 -38.3 36.0 272 274 A G - 0 0 49 -5,-0.3 2,-0.4 -4,-0.3 -1,-0.1 -0.085 44.5 -61.0 61.5-165.4 -10.1 -37.3 36.8 273 275 A R + 0 0 228 -24,-0.0 2,-0.4 -25,-0.0 -1,-0.1 -0.989 56.8 174.8-118.7 131.5 -12.9 -37.6 34.2 274 276 A H - 0 0 52 -2,-0.4 -25,-2.6 -30,-0.1 -24,-0.7 -0.999 24.5-133.9-139.8 136.1 -12.8 -35.5 31.0 275 277 A S - 0 0 80 -2,-0.4 -27,-0.3 -27,-0.2 2,-0.3 -0.416 38.6 -98.3 -74.6 159.2 -14.9 -35.3 27.9 276 278 A R - 0 0 74 -29,-0.2 -29,-0.2 -28,-0.1 2,-0.2 -0.638 43.6-140.3 -76.3 138.8 -13.3 -35.2 24.5 277 279 A K - 0 0 41 -31,-3.1 2,-0.3 -2,-0.3 -31,-0.0 -0.619 8.9-117.4 -99.5 159.0 -13.0 -31.7 23.2 278 280 A R > - 0 0 206 -2,-0.2 3,-1.5 1,-0.1 4,-0.2 -0.755 24.6-125.6 -90.8 146.7 -13.6 -30.3 19.7 279 281 A W G > S+ 0 0 16 -2,-0.3 3,-2.0 1,-0.3 4,-0.2 0.741 101.3 76.1 -69.4 -20.4 -10.5 -28.7 18.1 280 282 A E G > S+ 0 0 118 1,-0.3 3,-2.0 2,-0.2 -1,-0.3 0.775 78.8 74.2 -60.4 -25.2 -12.3 -25.4 17.4 281 283 A R G < S+ 0 0 164 -3,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.746 92.8 54.1 -63.0 -20.4 -12.0 -24.6 21.1 282 284 A F G < S+ 0 0 44 -3,-2.0 2,-0.3 -4,-0.2 -1,-0.3 0.437 89.0 99.8 -93.9 -0.5 -8.2 -23.9 20.5 283 285 A V < + 0 0 46 -3,-2.0 2,-0.3 -4,-0.2 -58,-0.1 -0.668 44.1 154.3 -88.9 139.8 -8.9 -21.4 17.7 284 286 A H >> - 0 0 81 -2,-0.3 3,-1.7 -59,-0.0 4,-1.6 -0.925 58.6 -80.2-154.1 176.9 -8.8 -17.7 18.4 285 287 A S T 34 S+ 0 0 69 -2,-0.3 4,-0.2 1,-0.3 -2,-0.0 0.708 122.9 55.6 -59.2 -20.3 -8.2 -14.4 16.5 286 288 A E T 34 S+ 0 0 125 1,-0.1 -1,-0.3 2,-0.1 -3,-0.0 0.601 121.7 23.6 -92.5 -10.8 -4.4 -14.8 16.7 287 289 A N T X4 S+ 0 0 0 -3,-1.7 3,-2.2 2,-0.1 4,-0.5 0.384 89.6 101.9-126.2 -0.9 -4.2 -18.2 15.1 288 290 A Q G >< S+ 0 0 116 -4,-1.6 3,-1.0 1,-0.3 -3,-0.1 0.773 76.3 62.2 -61.5 -27.7 -7.4 -18.4 13.0 289 291 A H G 3 S+ 0 0 103 1,-0.2 -1,-0.3 -4,-0.2 -161,-0.2 0.636 104.4 50.1 -73.3 -11.3 -5.5 -17.6 9.7 290 292 A L G < S+ 0 0 1 -3,-2.2 2,-0.4 -66,-0.3 -1,-0.2 0.496 100.9 81.3 -98.5 -8.7 -3.5 -20.9 10.3 291 293 A V < + 0 0 26 -3,-1.0 3,-0.1 -4,-0.5 -163,-0.0 -0.789 47.7 156.3-109.5 142.7 -6.6 -23.0 10.9 292 294 A S > - 0 0 16 -2,-0.4 4,-2.5 1,-0.1 5,-0.2 -0.957 55.2-101.3-151.8 162.6 -9.0 -24.5 8.4 293 295 A P H > S+ 0 0 101 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.916 124.9 52.3 -55.0 -43.1 -11.4 -27.5 8.4 294 296 A E H > S+ 0 0 78 1,-0.2 4,-1.9 2,-0.2 27,-0.3 0.905 109.1 49.7 -58.7 -43.5 -8.8 -29.5 6.5 295 297 A A H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.924 112.5 46.9 -60.5 -45.7 -6.1 -28.6 9.1 296 298 A L H X S+ 0 0 14 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.919 112.8 48.1 -67.1 -42.1 -8.4 -29.7 12.0 297 299 A D H X S+ 0 0 61 -4,-2.7 4,-1.0 -5,-0.2 -1,-0.2 0.829 113.0 49.2 -66.1 -32.7 -9.4 -32.9 10.3 298 300 A F H X S+ 0 0 0 -4,-1.9 4,-0.8 -5,-0.2 3,-0.5 0.937 112.4 46.7 -72.0 -47.6 -5.8 -33.8 9.6 299 301 A L H >X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 3,-1.1 0.918 109.3 55.5 -56.5 -44.4 -4.7 -33.0 13.1 300 302 A D H 3< S+ 0 0 41 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.789 106.5 51.1 -59.9 -30.8 -7.6 -35.1 14.4 301 303 A K H 3< S+ 0 0 78 -4,-1.0 10,-1.7 -3,-0.5 -1,-0.3 0.600 112.4 45.9 -88.1 -11.2 -6.5 -38.1 12.4 302 304 A L H << S+ 0 0 0 -3,-1.1 2,-1.7 -4,-0.8 -2,-0.2 0.839 102.1 65.1 -90.5 -46.6 -2.9 -37.9 13.7 303 305 A L < + 0 0 0 -4,-2.7 2,-0.4 -5,-0.2 -1,-0.2 -0.540 68.5 137.4 -85.0 80.3 -3.7 -37.4 17.4 304 306 A R - 0 0 63 -2,-1.7 6,-0.1 -3,-0.2 5,-0.1 -0.962 53.7-138.3-120.1 139.7 -5.4 -40.7 18.3 305 307 A Y S S+ 0 0 6 -2,-0.4 2,-0.7 1,-0.1 -106,-0.2 0.954 92.3 73.2 -57.2 -50.7 -4.7 -42.7 21.5 306 308 A D S >> S- 0 0 24 1,-0.2 3,-2.5 -3,-0.1 4,-0.6 -0.543 73.8-155.0 -73.1 109.5 -4.7 -45.9 19.6 307 309 A H G >4 S+ 0 0 2 -2,-0.7 3,-0.7 1,-0.3 -1,-0.2 0.806 93.3 60.5 -55.8 -31.6 -1.4 -46.0 17.6 308 310 A Q G 34 S+ 0 0 46 1,-0.2 -1,-0.3 -301,-0.1 -2,-0.1 0.638 102.0 54.1 -69.3 -13.6 -3.1 -48.4 15.1 309 311 A S G <4 S+ 0 0 68 -3,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.576 83.9 101.2-101.6 -12.1 -5.7 -45.7 14.3 310 312 A R S << S- 0 0 4 -3,-0.7 -8,-0.2 -4,-0.6 -9,-0.1 -0.377 83.9 -96.6 -68.3 150.7 -3.4 -42.8 13.4 311 313 A L - 0 0 27 -10,-1.7 2,-0.1 -13,-0.2 -1,-0.1 -0.356 37.6-126.0 -56.0 145.1 -2.8 -42.0 9.7 312 314 A T > - 0 0 23 1,-0.1 4,-2.5 -3,-0.1 5,-0.2 -0.464 30.0-102.4 -82.4 169.5 0.4 -43.4 8.3 313 315 A A H > S+ 0 0 1 2,-0.2 4,-1.8 1,-0.2 -170,-0.1 0.894 123.7 51.3 -59.0 -39.6 2.9 -41.0 6.6 314 316 A R H > S+ 0 0 141 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.928 111.8 45.2 -66.8 -44.9 1.7 -42.2 3.2 315 317 A E H >4 S+ 0 0 84 1,-0.2 3,-1.3 2,-0.2 4,-0.4 0.886 108.2 57.6 -63.3 -43.0 -2.0 -41.6 4.0 316 318 A A H >< S+ 0 0 0 -4,-2.5 3,-1.6 1,-0.3 -1,-0.2 0.899 101.6 56.8 -54.9 -39.6 -1.2 -38.3 5.6 317 319 A M H 3< S+ 0 0 27 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.727 102.6 55.7 -65.4 -19.7 0.3 -37.2 2.3 318 320 A E T << S+ 0 0 133 -3,-1.3 -1,-0.3 -4,-0.6 -2,-0.2 0.507 83.6 119.0 -87.3 -6.4 -3.0 -38.0 0.6 319 321 A H S X S- 0 0 14 -3,-1.6 3,-2.5 -4,-0.4 4,-0.2 -0.343 74.7-121.6 -70.9 140.6 -5.0 -35.6 2.9 320 322 A P G > S+ 0 0 52 0, 0.0 3,-1.7 0, 0.0 4,-0.4 0.701 105.6 78.7 -50.1 -24.9 -7.0 -32.6 1.5 321 323 A Y G 3 S+ 0 0 0 -27,-0.3 3,-0.4 1,-0.3 -26,-0.1 0.828 96.1 46.5 -52.5 -31.5 -4.9 -30.4 3.7 322 324 A F G X S+ 0 0 2 -3,-2.5 3,-0.9 -6,-0.2 -1,-0.3 0.395 81.3 96.5 -98.9 4.3 -2.1 -30.8 1.2 323 325 A Y T < S+ 0 0 171 -3,-1.7 -1,-0.2 1,-0.2 -2,-0.1 0.872 85.5 51.3 -59.2 -37.0 -4.1 -30.1 -2.0 324 326 A T T 3 S+ 0 0 80 -4,-0.4 2,-0.4 -3,-0.4 -1,-0.2 0.637 86.5 101.6 -79.1 -13.3 -3.0 -26.5 -2.0 325 327 A V S < S- 0 0 5 -3,-0.9 2,-0.2 -4,-0.1 -195,-0.0 -0.602 81.2-117.1 -75.0 122.8 0.7 -27.3 -1.7 326 328 A V 0 0 117 -2,-0.4 -1,-0.1 1,-0.2 -2,-0.1 -0.437 360.0 360.0 -62.7 123.0 2.5 -26.9 -5.0 327 329 A K 0 0 156 -2,-0.2 -1,-0.2 -3,-0.0 -3,-0.0 0.864 360.0 360.0 -89.4 360.0 3.9 -30.3 -6.1