==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 25-JUN-02 1M2Q . COMPND 2 MOLECULE: CASEIN KINASE II, ALPHA CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ZEA MAYS; . AUTHOR E.DE MOLINER,S.SARNO,S.MORO,G.ZAGOTTO,G.ZANOTTI,L.A.PINNA, . 327 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15693.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 215 65.7 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 . 38 11.6 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 . 28 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 96 29.4 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 4 1 0 2 1 0 1 0 1 0 1 0 1 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 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 7 A S 0 0 47 0, 0.0 178,-0.5 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 144.9 16.9 -10.7 -10.1 2 8 A K - 0 0 130 176,-0.1 202,-0.1 177,-0.1 5,-0.1 -0.988 360.0 -83.9-147.6 153.2 16.0 -7.0 -9.9 3 9 A A - 0 0 2 -2,-0.3 4,-0.2 1,-0.1 301,-0.1 -0.235 25.9-143.6 -56.5 142.0 14.0 -4.7 -7.6 4 10 A R S S+ 0 0 158 1,-0.1 2,-0.3 2,-0.1 -1,-0.1 0.679 87.0 32.0 -80.6 -18.2 10.2 -4.7 -8.2 5 11 A V S S+ 0 0 55 1,-0.1 200,-0.2 2,-0.0 -1,-0.1 -0.967 121.6 10.7-138.1 153.2 10.2 -1.0 -7.3 6 12 A Y S > S+ 0 0 68 -2,-0.3 3,-0.9 1,-0.1 4,-0.3 0.752 74.4 143.2 53.0 31.1 12.6 2.0 -7.6 7 13 A A T 3 + 0 0 18 1,-0.2 3,-0.3 -4,-0.2 4,-0.1 0.868 69.6 41.8 -68.1 -35.1 14.8 -0.1 -9.9 8 14 A D T 3> S+ 0 0 87 1,-0.2 4,-2.3 2,-0.1 -1,-0.2 0.190 78.9 109.3 -99.1 17.2 15.8 2.8 -12.2 9 15 A V H <> S+ 0 0 16 -3,-0.9 4,-1.1 1,-0.2 -1,-0.2 0.943 88.9 35.0 -57.6 -51.0 16.3 5.5 -9.6 10 16 A N H 4 S+ 0 0 3 166,-0.4 -1,-0.2 -4,-0.3 8,-0.2 0.653 112.8 62.2 -79.7 -13.3 20.1 5.7 -10.0 11 17 A V H 4 S+ 0 0 95 1,-0.2 -2,-0.2 -4,-0.1 -1,-0.2 0.877 109.1 41.2 -74.9 -39.6 19.7 5.0 -13.7 12 18 A L H < S+ 0 0 129 -4,-2.3 -2,-0.2 2,-0.1 -1,-0.2 0.688 103.3 82.5 -81.6 -22.3 17.8 8.2 -14.1 13 19 A R S < S- 0 0 76 -4,-1.1 5,-0.1 -5,-0.2 0, 0.0 -0.524 92.6 -87.5 -88.1 154.6 19.9 10.4 -11.8 14 20 A P >> - 0 0 78 0, 0.0 3,-2.7 0, 0.0 4,-0.8 -0.218 36.1-116.6 -55.8 143.6 23.2 12.1 -12.7 15 21 A K H 3> S+ 0 0 106 1,-0.3 4,-2.0 2,-0.2 3,-0.2 0.768 114.7 68.1 -53.7 -24.8 26.3 10.0 -12.2 16 22 A E H 34 S+ 0 0 134 1,-0.2 -1,-0.3 2,-0.2 6,-0.0 0.676 91.2 61.0 -69.9 -18.9 27.3 12.6 -9.6 17 23 A Y H <4 S+ 0 0 28 -3,-2.7 -1,-0.2 1,-0.1 -2,-0.2 0.909 120.7 19.8 -74.2 -43.6 24.4 11.5 -7.3 18 24 A W H < S+ 0 0 64 -4,-0.8 2,-2.0 -3,-0.2 3,-0.2 0.516 96.0 95.4-106.7 -8.0 25.6 7.9 -6.9 19 25 A D >< + 0 0 40 -4,-2.0 3,-1.8 -5,-0.2 4,-0.2 -0.468 44.9 166.6 -85.9 70.2 29.3 8.1 -7.8 20 26 A Y G > + 0 0 24 -2,-2.0 3,-1.6 1,-0.3 -1,-0.2 0.740 66.0 68.3 -56.7 -27.6 30.4 8.5 -4.2 21 27 A E G 3 S+ 0 0 98 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.806 95.9 55.2 -64.5 -27.8 34.1 7.8 -5.1 22 28 A A G < S+ 0 0 72 -3,-1.8 -1,-0.3 2,-0.1 -2,-0.2 0.442 84.7 120.4 -83.3 0.1 34.2 11.1 -7.0 23 29 A L < - 0 0 29 -3,-1.6 2,-0.5 -4,-0.2 50,-0.1 -0.417 47.2-163.3 -68.8 136.4 33.1 12.9 -3.8 24 30 A T - 0 0 128 -2,-0.1 2,-0.1 49,-0.0 -2,-0.1 -0.983 17.5-136.1-122.8 115.7 35.4 15.5 -2.4 25 31 A V - 0 0 18 -2,-0.5 2,-1.3 1,-0.1 48,-0.0 -0.448 5.4-137.0 -74.3 144.5 34.6 16.5 1.2 26 32 A Q - 0 0 179 -2,-0.1 68,-0.3 69,-0.0 -1,-0.1 -0.740 30.8-143.2 -97.5 82.5 34.5 20.1 2.3 27 33 A W - 0 0 114 -2,-1.3 68,-0.2 66,-0.1 3,-0.0 -0.243 14.5-155.6 -52.1 119.0 36.4 19.4 5.6 28 34 A G - 0 0 20 66,-3.6 2,-0.5 1,-0.1 68,-0.4 -0.075 32.8 -78.6 -79.9-169.0 35.0 21.7 8.3 29 35 A E > - 0 0 122 66,-0.1 3,-1.5 1,-0.1 4,-0.2 -0.844 27.0-147.9-103.1 131.0 37.0 22.7 11.4 30 36 A Q G > S+ 0 0 73 -2,-0.5 3,-1.8 1,-0.3 -1,-0.1 0.815 94.6 64.9 -64.0 -32.9 37.4 20.3 14.2 31 37 A D G 3 S+ 0 0 113 1,-0.3 -1,-0.3 3,-0.1 22,-0.1 0.675 85.3 76.7 -68.9 -9.0 37.5 22.9 16.9 32 38 A D G < S+ 0 0 44 -3,-1.5 21,-4.0 21,-0.1 22,-0.6 0.731 96.7 50.0 -71.5 -18.3 33.9 23.8 16.0 33 39 A Y E < S-A 52 0A 32 -3,-1.8 2,-0.5 19,-0.2 19,-0.2 -0.970 70.1-159.0-125.8 135.8 32.7 20.7 17.9 34 40 A E E -A 51 0A 122 17,-2.4 17,-1.3 -2,-0.4 2,-0.2 -0.959 17.6-130.5-119.2 122.9 33.7 19.6 21.4 35 41 A V E +A 50 0A 70 -2,-0.5 15,-0.2 15,-0.2 3,-0.1 -0.453 24.1 177.0 -67.6 134.0 33.3 16.0 22.7 36 42 A V E - 0 0 71 13,-2.8 2,-0.2 1,-0.4 14,-0.2 0.646 61.5 -29.3-111.9 -21.6 31.5 15.7 26.0 37 43 A R E -A 49 0A 161 12,-1.1 12,-2.5 0, 0.0 -1,-0.4 -0.889 64.0 -89.6 173.9 157.0 31.4 11.9 26.5 38 44 A K E +A 48 0A 100 -2,-0.2 10,-0.3 10,-0.2 3,-0.1 -0.496 31.0 175.2 -80.0 149.3 31.4 8.6 24.8 39 45 A V E - 0 0 91 8,-2.9 2,-0.3 1,-0.3 9,-0.2 0.516 54.1 -59.0-129.1 -17.2 28.0 7.0 23.9 40 46 A G E -A 47 0A 31 7,-1.5 7,-1.8 2,-0.0 -1,-0.3 -0.989 45.7-101.6 168.2-158.2 28.8 3.8 22.0 41 47 A R E -A 46 0A 154 -2,-0.3 5,-0.2 5,-0.2 21,-0.0 -0.931 9.5-151.2-165.6 139.0 30.4 2.3 19.0 42 48 A G - 0 0 7 3,-1.6 3,-0.2 -2,-0.3 5,-0.1 0.072 57.1 -77.8 -87.4-152.8 29.6 0.8 15.6 43 49 A K S S+ 0 0 100 1,-0.2 -1,-0.0 3,-0.0 3,-0.0 0.918 128.9 6.5 -77.6 -42.1 31.7 -1.9 14.0 44 50 A Y S S+ 0 0 133 21,-0.1 2,-0.3 2,-0.0 -1,-0.2 -0.352 118.5 82.3-135.6 52.9 34.3 0.6 13.0 45 51 A S - 0 0 5 19,-0.2 -3,-1.6 -3,-0.2 2,-0.5 -0.980 58.9-145.0-157.0 143.1 33.2 3.9 14.6 46 52 A E E -AB 41 63A 61 17,-3.0 17,-3.6 -2,-0.3 2,-0.4 -0.955 23.9-156.2-109.7 125.6 33.4 5.6 18.0 47 53 A V E +AB 40 62A 31 -7,-1.8 -8,-2.9 -2,-0.5 -7,-1.5 -0.890 15.8 171.9-111.1 133.3 30.4 7.6 18.8 48 54 A F E -AB 38 61A 26 13,-3.5 13,-3.7 -2,-0.4 2,-0.4 -0.911 31.9-121.7-133.7 160.8 30.2 10.6 21.2 49 55 A E E +AB 37 60A 30 -12,-2.5 -13,-2.8 -2,-0.3 -12,-1.1 -0.845 44.9 163.2 -98.8 136.5 27.8 13.2 22.3 50 56 A G E -AB 35 59A 1 9,-3.0 9,-1.7 -2,-0.4 2,-0.3 -0.641 33.0-116.2-137.4-163.6 29.1 16.7 21.8 51 57 A I E -AB 34 58A 57 -17,-1.3 -17,-2.4 7,-0.2 2,-0.5 -0.994 26.4-118.6-145.5 137.1 28.3 20.4 21.6 52 58 A N E > -A 33 0A 24 5,-2.3 4,-1.6 -2,-0.3 -19,-0.2 -0.654 21.6-149.2 -74.5 123.3 28.6 22.9 18.6 53 59 A V T 4 S+ 0 0 68 -21,-4.0 -1,-0.2 -2,-0.5 -20,-0.1 0.862 89.9 48.3 -66.0 -30.1 31.1 25.5 19.8 54 60 A N T 4 S+ 0 0 117 -22,-0.6 -1,-0.2 1,-0.2 -21,-0.1 0.950 126.7 16.9 -76.7 -52.7 29.4 28.2 17.8 55 61 A N T 4 S- 0 0 99 2,-0.1 -2,-0.2 0, 0.0 -1,-0.2 0.405 92.2-130.2-107.0 7.2 25.8 27.9 18.4 56 62 A N < + 0 0 118 -4,-1.6 -3,-0.1 1,-0.2 2,-0.0 0.478 57.9 136.6 63.4 4.3 25.9 25.9 21.6 57 63 A E - 0 0 119 1,-0.1 -5,-2.3 -6,-0.1 2,-0.2 -0.356 59.7 -95.2 -79.4 166.7 23.3 23.2 20.5 58 64 A K E +B 51 0A 92 -7,-0.2 51,-1.0 51,-0.1 2,-0.3 -0.513 47.6 172.8 -79.1 148.6 23.8 19.4 21.1 59 65 A C E -BC 50 108A 2 -9,-1.7 -9,-3.0 49,-0.2 2,-0.4 -0.910 31.0-116.3-146.9 173.0 25.3 17.2 18.5 60 66 A I E -BC 49 107A 21 47,-2.4 47,-2.5 -2,-0.3 2,-0.6 -0.961 20.5-157.3-116.1 130.7 26.5 13.7 17.9 61 67 A I E -BC 48 106A 8 -13,-3.7 -13,-3.5 -2,-0.4 2,-0.6 -0.940 9.1-174.6-112.8 114.5 30.2 13.1 17.0 62 68 A K E -BC 47 105A 12 43,-3.0 43,-2.3 -2,-0.6 2,-0.7 -0.926 9.0-159.4-109.9 109.4 30.9 9.8 15.1 63 69 A I E -BC 46 104A 13 -17,-3.6 -17,-3.0 -2,-0.6 2,-2.1 -0.809 14.9-140.2 -90.7 117.3 34.6 9.2 14.6 64 70 A L > - 0 0 3 39,-1.7 3,-0.7 -2,-0.7 -19,-0.2 -0.523 20.3-149.9 -79.3 76.6 35.0 6.7 11.8 65 71 A K T 3 - 0 0 55 -2,-2.1 -21,-0.1 1,-0.2 35,-0.0 0.115 62.8 -43.7 -33.4 161.9 37.8 4.7 13.3 66 72 A P T 3 S+ 0 0 107 0, 0.0 -1,-0.2 0, 0.0 2,-0.2 -0.062 84.2 153.3 -41.4 102.1 39.8 3.4 10.4 67 73 A V < - 0 0 22 -3,-0.7 2,-0.4 0, 0.0 3,-0.1 -0.132 60.7 -84.3-102.7-153.4 37.0 2.3 8.1 68 74 A K >> - 0 0 122 -2,-0.2 4,-1.5 1,-0.1 3,-0.9 -0.976 31.2-124.7-116.5 141.0 38.3 2.4 4.5 69 75 A K H 3> S+ 0 0 128 -2,-0.4 4,-2.4 1,-0.3 5,-0.3 0.822 112.0 58.0 -49.0 -40.5 38.1 5.8 2.8 70 76 A K H 3> S+ 0 0 118 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.932 110.1 47.0 -56.1 -42.0 36.1 4.4 -0.1 71 77 A K H <> S+ 0 0 23 -3,-0.9 4,-1.9 1,-0.2 -2,-0.3 0.795 107.7 55.9 -68.8 -31.0 33.7 3.4 2.6 72 78 A I H X S+ 0 0 12 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.917 107.4 47.4 -69.3 -44.3 33.8 6.8 4.2 73 79 A K H X S+ 0 0 41 -4,-2.4 4,-3.1 2,-0.2 5,-0.2 0.871 108.8 56.8 -63.8 -37.6 32.8 8.7 1.1 74 80 A R H X S+ 0 0 31 -4,-1.5 4,-2.4 -5,-0.3 5,-0.2 0.969 109.3 43.6 -59.0 -54.3 30.0 6.2 0.5 75 81 A E H X S+ 0 0 2 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.898 116.1 47.9 -59.7 -41.9 28.4 6.9 3.9 76 82 A I H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.963 112.0 48.9 -63.6 -50.1 28.9 10.7 3.5 77 83 A K H X S+ 0 0 34 -4,-3.1 4,-1.8 1,-0.2 -2,-0.2 0.880 113.6 47.3 -56.4 -41.9 27.4 10.7 -0.0 78 84 A I H X S+ 0 0 0 -4,-2.4 4,-1.4 -5,-0.2 -1,-0.2 0.911 111.4 50.0 -68.0 -43.0 24.4 8.7 1.1 79 85 A L H X S+ 0 0 0 -4,-2.4 4,-1.0 1,-0.2 12,-0.3 0.868 110.4 50.7 -63.9 -36.5 23.8 10.9 4.2 80 86 A Q H < S+ 0 0 88 -4,-2.4 3,-0.3 1,-0.2 -1,-0.2 0.894 111.0 48.4 -67.0 -41.2 23.9 14.0 2.0 81 87 A N H < S+ 0 0 32 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.751 116.2 43.5 -71.0 -24.2 21.4 12.5 -0.4 82 88 A L H >< S+ 0 0 0 -4,-1.4 3,-2.4 -5,-0.1 -1,-0.2 0.505 78.7 125.6 -99.8 -9.8 19.0 11.5 2.3 83 89 A C T 3< S+ 0 0 59 -4,-1.0 7,-0.1 -3,-0.3 6,-0.1 -0.299 76.8 25.1 -56.9 128.2 19.1 14.6 4.5 84 90 A G T 3 S+ 0 0 55 1,-0.4 -1,-0.3 4,-0.3 3,-0.1 0.104 89.3 131.1 104.7 -22.0 15.6 15.8 5.1 85 91 A G S X S- 0 0 4 -3,-2.4 3,-1.4 1,-0.1 -1,-0.4 -0.273 73.2 -80.8 -61.7 153.2 13.9 12.5 4.5 86 92 A P T 3 S- 0 0 53 0, 0.0 54,-0.2 0, 0.0 -1,-0.1 -0.365 107.0 -9.2 -63.3 124.9 11.4 11.4 7.1 87 93 A N T 3 S+ 0 0 20 1,-0.2 80,-2.6 -2,-0.2 2,-0.4 0.734 97.8 132.5 61.2 28.1 13.0 9.9 10.2 88 94 A I B < -e 167 0B 1 -3,-1.4 -4,-0.3 78,-0.2 -1,-0.2 -0.909 64.5-104.8-109.2 135.2 16.5 9.7 8.8 89 95 A V - 0 0 8 78,-1.7 2,-0.6 -2,-0.4 -4,-0.1 -0.248 36.6-128.3 -56.2 143.3 19.4 11.0 10.8 90 96 A K - 0 0 54 18,-0.1 18,-2.1 -7,-0.1 2,-0.6 -0.869 6.7-143.0-105.6 121.4 20.7 14.4 9.6 91 97 A L E +D 107 0A 21 -2,-0.6 16,-0.2 -12,-0.3 3,-0.1 -0.682 22.7 174.4 -79.3 118.1 24.4 15.0 8.8 92 98 A L E - 0 0 84 14,-2.3 2,-0.3 -2,-0.6 15,-0.2 0.828 59.2 -9.2 -92.8 -41.2 25.3 18.6 9.9 93 99 A D E -D 106 0A 43 13,-1.6 13,-2.5 -65,-0.0 2,-0.4 -0.957 51.3-141.5-153.4 169.5 29.0 18.8 9.4 94 100 A I E +D 105 0A 11 -68,-0.3 -66,-3.6 -2,-0.3 2,-0.2 -0.986 29.6 162.1-140.6 125.5 32.1 16.7 8.5 95 101 A V E -D 104 0A 5 9,-1.9 9,-2.2 -2,-0.4 2,-0.3 -0.760 38.1 -97.6-135.9 179.5 35.5 17.3 10.1 96 102 A R E -D 103 0A 77 -68,-0.4 2,-0.7 -2,-0.2 5,-0.1 -0.814 33.5-127.7-101.2 143.8 39.0 15.7 10.7 97 103 A D - 0 0 25 5,-2.4 5,-0.5 -2,-0.3 -34,-0.0 -0.842 9.6-148.9 -98.4 116.1 39.7 14.0 14.0 98 104 A Q S S+ 0 0 165 -2,-0.7 2,-2.4 1,-0.2 -1,-0.2 0.884 92.8 58.2 -41.5 -60.4 43.0 15.2 15.7 99 105 A H S S- 0 0 163 2,-0.0 -1,-0.2 3,-0.0 2,-0.2 -0.567 123.8 -0.4 -79.7 78.8 43.8 12.0 17.3 100 106 A S S S- 0 0 73 -2,-2.4 2,-0.6 -35,-0.0 -35,-0.0 -0.601 81.0 -95.9 129.9 172.6 43.9 10.1 14.1 101 107 A K S S+ 0 0 175 -2,-0.2 -3,-0.1 -5,-0.1 -5,-0.0 -0.852 78.1 129.5-122.7 78.2 43.4 10.7 10.4 102 108 A T - 0 0 4 -2,-0.6 -5,-2.4 -5,-0.5 -37,-0.1 -0.987 61.4-122.5-135.1 135.6 39.9 9.6 10.7 103 109 A P E - D 0 96A 8 0, 0.0 -39,-1.7 0, 0.0 2,-0.4 -0.409 26.5-147.5 -71.0 162.6 37.1 11.6 9.3 104 110 A S E -CD 63 95A 3 -9,-2.2 -9,-1.9 -41,-0.2 2,-0.4 -0.909 2.3-145.3-140.6 112.8 34.5 12.5 12.0 105 111 A L E -CD 62 94A 0 -43,-2.3 -43,-3.0 -2,-0.4 2,-0.6 -0.610 6.8-154.0 -83.4 129.4 30.7 12.8 11.2 106 112 A I E -CD 61 93A 1 -13,-2.5 -14,-2.3 -2,-0.4 -13,-1.6 -0.892 18.2-176.7-103.3 121.4 28.7 15.4 13.0 107 113 A F E -CD 60 91A 13 -47,-2.5 -47,-2.4 -2,-0.6 -16,-0.2 -0.747 35.8 -95.4-114.8 162.6 25.0 14.6 13.3 108 114 A E E -C 59 0A 90 -18,-2.1 -49,-0.2 -2,-0.3 -18,-0.1 -0.488 62.1 -88.9 -70.5 147.9 22.1 16.5 14.7 109 115 A Y - 0 0 71 -51,-1.0 2,-0.4 -2,-0.1 -1,-0.1 -0.366 43.7-168.9 -65.7 139.4 21.6 15.2 18.3 110 116 A V - 0 0 19 -2,-0.1 2,-0.4 -3,-0.1 48,-0.1 -0.996 12.5-146.8-131.0 122.6 19.2 12.2 18.7 111 117 A N - 0 0 71 -2,-0.4 2,-0.4 46,-0.1 53,-0.1 -0.722 25.1-175.1 -89.7 135.1 18.1 11.1 22.1 112 118 A N - 0 0 63 -2,-0.4 2,-0.5 45,-0.1 47,-0.2 -0.935 23.0-148.8-132.1 157.7 17.7 7.5 22.3 113 119 A T - 0 0 53 45,-0.8 45,-0.3 -2,-0.4 5,-0.1 -0.981 40.8-102.8-126.9 112.0 16.4 5.1 24.8 114 120 A D >> - 0 0 64 -2,-0.5 4,-2.3 1,-0.2 3,-1.5 -0.028 24.8-137.4 -35.8 123.3 18.1 1.7 24.8 115 121 A F H 3> S+ 0 0 16 1,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.755 98.4 69.7 -60.3 -27.2 15.7 -0.8 23.1 116 122 A K H 34 S+ 0 0 119 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.776 114.5 27.0 -62.2 -27.2 16.5 -3.5 25.7 117 123 A V H <4 S+ 0 0 99 -3,-1.5 4,-0.3 2,-0.1 -2,-0.2 0.706 123.9 51.1-104.1 -32.1 14.7 -1.4 28.3 118 124 A L H >X S+ 0 0 6 -4,-2.3 3,-2.0 1,-0.2 4,-0.6 0.964 102.5 56.4 -71.1 -54.6 12.3 0.4 25.9 119 125 A Y G >< S+ 0 0 35 -4,-2.1 3,-1.1 1,-0.3 -1,-0.2 0.822 97.9 60.2 -49.5 -43.4 10.8 -2.5 24.0 120 126 A P G 34 S+ 0 0 64 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.740 109.1 47.0 -60.9 -19.1 9.5 -4.4 27.0 121 127 A T G <4 S+ 0 0 85 -3,-2.0 -2,-0.2 -4,-0.3 2,-0.1 0.550 82.9 113.2 -99.0 -10.4 7.3 -1.4 27.8 122 128 A L << - 0 0 3 -3,-1.1 2,-0.1 -4,-0.6 -3,-0.0 -0.407 59.4-137.3 -67.5 137.0 5.8 -0.7 24.4 123 129 A T > - 0 0 73 -2,-0.1 4,-2.0 1,-0.1 5,-0.2 -0.386 31.5 -95.5 -86.1 168.6 2.1 -1.2 24.1 124 130 A D H > S+ 0 0 48 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.901 128.5 46.5 -50.6 -43.1 0.4 -2.9 21.2 125 131 A Y H > S+ 0 0 64 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.896 106.1 57.3 -69.7 -40.8 -0.3 0.5 19.7 126 132 A D H > S+ 0 0 14 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.872 105.1 52.1 -56.7 -41.5 3.2 1.9 20.3 127 133 A I H X S+ 0 0 4 -4,-2.0 4,-2.3 2,-0.2 5,-0.3 0.927 109.8 48.4 -63.4 -42.9 4.7 -1.0 18.2 128 134 A R H X S+ 0 0 36 -4,-1.4 4,-2.0 -5,-0.2 -2,-0.2 0.951 114.0 48.6 -60.2 -47.8 2.3 -0.2 15.3 129 135 A Y H X S+ 0 0 45 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.940 113.9 42.6 -57.8 -54.6 3.3 3.5 15.6 130 136 A Y H X S+ 0 0 4 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.845 112.4 52.5 -66.5 -35.2 7.1 3.1 15.7 131 137 A I H X S+ 0 0 4 -4,-2.3 4,-2.3 -5,-0.3 -1,-0.2 0.901 108.8 51.9 -67.1 -37.7 7.2 0.4 13.0 132 138 A Y H X S+ 0 0 20 -4,-2.0 4,-1.7 -5,-0.3 -2,-0.2 0.906 109.3 50.0 -62.7 -42.0 5.2 2.8 10.7 133 139 A E H X S+ 0 0 15 -4,-1.9 4,-1.3 1,-0.2 -2,-0.2 0.908 111.0 48.7 -63.0 -42.6 7.7 5.6 11.5 134 140 A L H X S+ 0 0 2 -4,-2.3 4,-1.9 1,-0.2 3,-0.2 0.887 107.5 55.9 -64.6 -38.2 10.6 3.3 10.6 135 141 A L H X S+ 0 0 0 -4,-2.3 4,-3.0 1,-0.2 5,-0.3 0.848 100.9 58.4 -62.1 -35.0 8.8 2.3 7.4 136 142 A K H X S+ 0 0 46 -4,-1.7 4,-1.5 1,-0.2 -1,-0.2 0.896 107.2 47.8 -60.9 -40.1 8.6 5.9 6.4 137 143 A A H X S+ 0 0 0 -4,-1.3 4,-2.6 -3,-0.2 -2,-0.2 0.886 113.8 46.3 -67.6 -42.1 12.4 6.1 6.6 138 144 A L H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 5,-0.3 0.931 111.0 49.6 -70.0 -46.0 12.9 2.9 4.5 139 145 A D H X S+ 0 0 29 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.886 113.4 51.2 -60.8 -33.4 10.4 3.8 1.8 140 146 A Y H X S+ 0 0 58 -4,-1.5 4,-1.0 -5,-0.3 -2,-0.2 0.966 111.7 42.3 -67.7 -53.5 12.2 7.1 1.6 141 147 A C H <>S+ 0 0 0 -4,-2.6 5,-2.4 1,-0.2 3,-0.3 0.868 115.7 50.9 -64.0 -32.5 15.7 5.8 1.3 142 148 A H H ><5S+ 0 0 7 -4,-2.7 3,-2.1 1,-0.2 -1,-0.2 0.918 106.6 54.1 -68.1 -41.7 14.5 3.1 -1.2 143 149 A S H 3<5S+ 0 0 22 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.724 107.0 53.9 -63.4 -19.8 12.8 5.7 -3.3 144 150 A Q T 3<5S- 0 0 31 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.202 125.2-102.8 -99.6 14.2 16.1 7.5 -3.4 145 151 A G T < 5S+ 0 0 0 -3,-2.1 31,-2.6 1,-0.2 2,-0.4 0.739 81.4 122.3 74.0 27.8 18.0 4.4 -4.7 146 152 A I E < -G 175 0C 0 -5,-2.4 2,-0.4 29,-0.2 29,-0.2 -0.961 47.2-156.4-128.8 139.4 19.6 3.4 -1.5 147 153 A M E -G 174 0C 0 27,-2.8 27,-2.2 -2,-0.4 58,-0.1 -0.914 8.9-154.0-107.0 135.8 19.5 0.2 0.6 148 154 A H - 0 0 0 -2,-0.4 24,-0.2 25,-0.2 39,-0.1 0.927 16.6-171.1 -75.2 -45.5 20.3 0.6 4.3 149 155 A R + 0 0 8 56,-0.1 38,-0.7 24,-0.1 -1,-0.1 0.538 67.6 66.2 66.0 11.3 21.5 -3.0 4.8 150 156 A D + 0 0 4 37,-0.2 2,-0.3 36,-0.1 5,-0.1 -0.083 59.8 158.3-151.0 42.1 21.9 -2.9 8.6 151 157 A V + 0 0 0 40,-0.1 37,-0.2 3,-0.1 64,-0.1 -0.562 21.0 126.5 -72.5 126.6 18.3 -2.5 9.9 152 158 A K S > S- 0 0 14 -2,-0.3 3,-2.1 35,-0.1 4,-0.2 -0.935 73.9 -90.2-171.7 159.9 18.1 -3.7 13.5 153 159 A P G > S+ 0 0 11 0, 0.0 3,-1.6 0, 0.0 -38,-0.1 0.837 122.3 61.4 -48.2 -39.2 16.9 -2.4 16.9 154 160 A H G 3 S+ 0 0 87 1,-0.3 -3,-0.1 -40,-0.1 3,-0.0 0.748 105.1 47.1 -61.6 -26.4 20.4 -0.9 17.6 155 161 A N G < S+ 0 0 6 -3,-2.1 13,-2.7 -5,-0.1 2,-0.5 0.188 96.9 79.3-102.7 14.5 20.1 1.3 14.5 156 162 A V E < -F 167 0B 7 -3,-1.6 2,-0.5 11,-0.2 11,-0.2 -0.880 67.3-163.6-123.8 95.6 16.6 2.6 15.3 157 163 A M E -F 166 0B 30 9,-2.3 9,-2.6 -2,-0.5 2,-0.4 -0.704 6.6-169.7 -87.5 128.3 16.8 5.3 17.9 158 164 A I E -F 165 0B 3 -2,-0.5 2,-0.9 -45,-0.3 -45,-0.8 -0.956 22.0-157.7-122.2 131.6 13.6 6.2 19.6 159 165 A D E >> -F 164 0B 19 5,-2.9 5,-1.7 -2,-0.4 4,-0.9 -0.885 16.0-171.7-102.0 95.5 12.8 9.1 22.0 160 166 A H T 45S+ 0 0 54 -2,-0.9 -1,-0.2 1,-0.2 5,-0.0 0.806 79.7 58.0 -62.2 -30.1 9.8 7.6 23.7 161 167 A E T 45S+ 0 0 152 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.953 119.8 27.1 -65.3 -49.7 9.0 10.8 25.5 162 168 A L T 45S- 0 0 101 2,-0.1 -1,-0.2 -3,-0.1 -2,-0.2 0.380 105.7-127.3 -92.6 3.0 8.6 12.9 22.3 163 169 A R T <5 + 0 0 74 -4,-0.9 2,-0.4 1,-0.2 -3,-0.2 0.918 58.0 147.4 49.2 52.7 7.6 9.7 20.3 164 170 A K E < - F 0 159B 91 -5,-1.7 -5,-2.9 -53,-0.1 2,-0.4 -0.943 30.7-162.4-121.4 138.9 10.3 10.4 17.7 165 171 A L E - F 0 158B 1 -2,-0.4 2,-0.4 -7,-0.2 -7,-0.2 -0.952 5.3-172.8-125.0 140.2 12.3 7.8 15.7 166 172 A R E - F 0 157B 46 -9,-2.6 -9,-2.3 -2,-0.4 2,-0.7 -0.997 19.9-139.6-133.4 131.9 15.5 8.1 13.7 167 173 A L E -eF 88 156B 0 -80,-2.6 -78,-1.7 -2,-0.4 -11,-0.2 -0.820 37.4-176.0 -89.2 118.6 17.2 5.5 11.4 168 174 A I + 0 0 31 -13,-2.7 -13,-0.1 -2,-0.7 -14,-0.0 -0.451 38.1 47.2-110.8-176.6 20.9 5.6 12.1 169 175 A D + 0 0 30 -2,-0.1 3,-0.5 1,-0.1 -1,-0.1 0.960 41.9 178.1 45.3 81.6 24.3 4.2 11.0 170 176 A W > + 0 0 1 1,-0.2 3,-0.5 2,-0.1 -1,-0.1 0.014 46.1 116.6 -93.8 26.8 24.4 4.3 7.2 171 177 A G T 3 S+ 0 0 3 1,-0.2 -1,-0.2 -21,-0.1 -96,-0.2 0.711 82.3 37.0 -68.8 -21.2 27.9 2.9 7.2 172 178 A L T 3 S+ 0 0 44 -3,-0.5 -1,-0.2 -24,-0.2 -2,-0.1 0.403 91.9 119.1-109.2 -0.4 26.8 -0.2 5.4 173 179 A A < - 0 0 0 -3,-0.5 2,-0.3 -23,-0.1 -25,-0.2 -0.243 41.4-173.7 -65.2 154.0 24.2 1.4 3.1 174 180 A E E -G 147 0C 11 -27,-2.2 -27,-2.8 -96,-0.1 2,-0.4 -0.966 29.1-101.2-148.1 163.2 24.6 1.3 -0.7 175 181 A F E -G 146 0C 0 -2,-0.3 2,-0.5 -29,-0.2 -29,-0.2 -0.692 38.7-129.2 -85.2 135.0 23.2 2.5 -4.0 176 182 A Y + 0 0 2 -31,-2.6 -166,-0.4 -2,-0.4 28,-0.1 -0.752 28.1 178.2 -90.1 129.5 21.1 0.0 -5.8 177 183 A H > - 0 0 37 -2,-0.5 3,-2.2 3,-0.1 -169,-0.1 -0.996 39.3-100.9-131.1 124.6 21.9 -0.6 -9.4 178 184 A P T 3 S+ 0 0 57 0, 0.0 -176,-0.1 0, 0.0 26,-0.0 -0.162 103.1 2.7 -47.6 122.7 19.9 -3.2 -11.5 179 185 A G T 3 S+ 0 0 49 -178,-0.5 2,-0.1 1,-0.3 -177,-0.1 0.294 91.4 142.0 84.6 -9.8 21.8 -6.5 -11.8 180 186 A K < - 0 0 84 -3,-2.2 2,-0.6 1,-0.1 -1,-0.3 -0.372 47.7-133.4 -68.6 142.5 24.7 -5.5 -9.6 181 187 A E - 0 0 136 21,-0.2 21,-0.2 -2,-0.1 2,-0.2 -0.871 27.9-165.7 -99.8 120.8 26.2 -8.2 -7.3 182 188 A Y - 0 0 8 19,-2.5 2,-0.2 -2,-0.6 21,-0.0 -0.525 28.6 -85.9-103.3 170.2 26.8 -6.9 -3.9 183 189 A N - 0 0 95 -2,-0.2 3,-0.1 1,-0.1 -1,-0.1 -0.483 27.1-153.6 -70.2 141.0 28.8 -8.1 -0.9 184 190 A V S S+ 0 0 26 1,-0.2 2,-1.3 -2,-0.2 -1,-0.1 0.519 76.5 88.7 -95.7 -3.2 26.8 -10.5 1.3 185 191 A R + 0 0 205 7,-0.0 2,-0.2 3,-0.0 -1,-0.2 -0.393 68.2 108.0 -91.2 59.6 28.8 -9.7 4.5 186 192 A V + 0 0 4 -2,-1.3 -36,-0.1 -3,-0.1 -37,-0.1 -0.728 54.2 33.1-124.7 172.5 26.4 -6.9 5.4 187 193 A A S S- 0 0 13 -38,-0.7 2,-0.4 -2,-0.2 -37,-0.2 0.070 96.1 -68.7 64.7 174.1 23.8 -6.5 8.1 188 194 A S >> - 0 0 20 -37,-0.2 3,-2.4 1,-0.1 4,-0.5 -0.812 49.2-107.3-101.0 144.3 24.1 -8.2 11.5 189 195 A R G >4 S+ 0 0 87 -2,-0.4 3,-1.4 1,-0.3 -1,-0.1 0.793 115.9 50.6 -35.3 -54.8 23.9 -12.0 11.8 190 196 A Y G 34 S+ 0 0 65 1,-0.3 37,-0.3 39,-0.1 -1,-0.3 0.700 116.2 42.4 -64.5 -18.7 20.4 -12.1 13.4 191 197 A F G <4 S+ 0 0 11 -3,-2.4 -1,-0.3 35,-0.1 2,-0.2 0.300 83.0 126.4-111.4 8.7 18.9 -9.8 10.8 192 198 A K << - 0 0 15 -3,-1.4 -5,-0.1 -4,-0.5 -42,-0.0 -0.486 56.8-129.1 -70.7 130.8 20.6 -11.3 7.7 193 199 A G >> - 0 0 0 -2,-0.2 4,-1.4 1,-0.1 3,-1.3 -0.371 24.2-105.1 -78.6 158.4 18.2 -12.3 5.0 194 200 A P H 3> S+ 0 0 0 0, 0.0 4,-1.5 0, 0.0 6,-0.2 0.832 119.5 63.2 -49.1 -35.9 18.1 -15.7 3.2 195 201 A E H 34>S+ 0 0 0 1,-0.2 5,-2.3 106,-0.2 4,-0.3 0.874 103.2 46.6 -59.8 -38.2 19.7 -14.1 0.2 196 202 A L H <45S+ 0 0 6 -3,-1.3 3,-0.4 1,-0.2 -1,-0.2 0.857 113.4 50.6 -72.2 -33.1 22.9 -13.2 2.2 197 203 A L H <5S+ 0 0 16 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.649 114.3 40.6 -79.4 -20.1 23.0 -16.7 3.7 198 204 A V T <5S- 0 0 7 -4,-1.5 -1,-0.2 -3,-0.2 -2,-0.2 0.262 115.1-110.4-110.4 8.6 22.8 -18.6 0.4 199 205 A D T 5 + 0 0 108 -3,-0.4 2,-1.2 -4,-0.3 -3,-0.2 0.743 59.0 158.3 69.4 26.9 25.1 -16.2 -1.5 200 206 A L < + 0 0 3 -5,-2.3 -1,-0.2 -6,-0.2 3,-0.1 -0.726 15.0 178.6 -81.2 99.6 22.4 -14.7 -3.8 201 207 A Q + 0 0 68 -2,-1.2 -19,-2.5 1,-0.2 2,-1.8 0.696 60.2 76.2 -81.6 -22.7 24.3 -11.4 -4.5 202 208 A D S S+ 0 0 47 -21,-0.2 -1,-0.2 -7,-0.1 -21,-0.2 -0.398 71.7 144.1 -88.1 63.7 22.0 -9.6 -6.8 203 209 A Y - 0 0 0 -2,-1.8 2,-0.2 -3,-0.1 -200,-0.1 -0.356 27.0-169.5 -92.3 175.9 19.8 -8.6 -4.0 204 210 A D > - 0 0 9 -2,-0.1 3,-2.3 -202,-0.1 4,-0.3 -0.658 47.2 -45.7-145.6-159.6 17.9 -5.3 -3.5 205 211 A Y T >> S+ 0 0 5 1,-0.3 3,-1.9 -200,-0.2 4,-0.7 0.795 115.8 77.1 -49.2 -34.8 15.9 -3.1 -1.2 206 212 A S H 3> S+ 0 0 14 1,-0.3 4,-1.2 2,-0.2 -1,-0.3 0.647 77.8 74.1 -53.9 -18.3 13.8 -6.1 -0.1 207 213 A L H <> S+ 0 0 0 -3,-2.3 4,-1.9 1,-0.2 3,-0.4 0.903 92.9 53.3 -61.7 -41.9 16.8 -7.1 2.1 208 214 A D H <> S+ 0 0 0 -3,-1.9 4,-2.2 -4,-0.3 -1,-0.2 0.827 102.9 58.1 -63.6 -31.3 15.8 -4.3 4.5 209 215 A M H X S+ 0 0 1 -4,-0.7 4,-1.9 2,-0.2 -1,-0.2 0.823 104.3 50.6 -71.0 -30.6 12.2 -5.7 4.7 210 216 A W H X S+ 0 0 0 -4,-1.2 4,-2.4 -3,-0.4 -2,-0.2 0.953 111.3 47.7 -68.6 -48.7 13.5 -9.1 5.9 211 217 A S H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.879 111.0 51.8 -58.4 -39.4 15.6 -7.4 8.6 212 218 A L H X S+ 0 0 0 -4,-2.2 4,-3.0 1,-0.2 -1,-0.2 0.907 108.0 52.8 -62.6 -42.2 12.5 -5.3 9.5 213 219 A G H X S+ 0 0 0 -4,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.904 108.2 50.0 -59.2 -43.2 10.6 -8.6 9.7 214 220 A C H X S+ 0 0 4 -4,-2.4 4,-2.2 2,-0.2 12,-0.3 0.917 112.7 46.2 -61.9 -45.6 13.1 -10.0 12.1 215 221 A M H X S+ 0 0 5 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.930 113.9 49.2 -62.6 -46.1 13.0 -6.9 14.4 216 222 A F H X S+ 0 0 0 -4,-3.0 4,-2.6 2,-0.2 5,-0.3 0.899 109.6 50.9 -60.6 -43.7 9.2 -7.0 14.3 217 223 A A H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 6,-0.3 0.923 109.2 51.1 -62.1 -43.9 9.0 -10.7 15.1 218 224 A G H X>S+ 0 0 9 -4,-2.2 5,-1.4 -5,-0.2 4,-0.6 0.859 112.5 48.6 -60.7 -35.8 11.3 -10.1 18.1 219 225 A M H <5S+ 0 0 14 -4,-1.8 -2,-0.2 3,-0.2 -1,-0.2 0.933 115.6 38.6 -70.9 -50.8 9.0 -7.3 19.3 220 226 A I H <5S+ 0 0 0 -4,-2.6 66,-0.3 1,-0.2 -2,-0.2 0.813 124.9 39.5 -74.1 -28.6 5.6 -9.0 19.0 221 227 A F H <5S- 0 0 5 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.506 102.2-130.0 -97.1 -4.0 6.8 -12.3 20.3 222 228 A R T <5 + 0 0 96 -4,-0.6 2,-0.4 -5,-0.2 -3,-0.2 0.916 68.3 125.6 56.1 45.6 9.2 -10.8 22.9 223 229 A K < - 0 0 89 -5,-1.4 -1,-0.2 -6,-0.3 -2,-0.1 -0.887 51.9-143.4-136.9 99.2 12.0 -13.0 21.7 224 230 A E S S+ 0 0 112 -2,-0.4 2,-0.1 1,-0.2 -9,-0.1 -0.958 86.6 19.4-121.4 123.5 15.2 -11.1 20.7 225 231 A P S S- 0 0 20 0, 0.0 3,-0.2 0, 0.0 -1,-0.2 0.630 79.5-160.5 -80.1 161.8 16.7 -12.0 18.5 226 232 A F S S+ 0 0 9 -12,-0.3 2,-0.7 1,-0.3 -2,-0.1 0.875 88.6 41.2 -72.0 -39.7 14.0 -14.0 16.9 227 233 A F S S- 0 0 4 -37,-0.3 2,-1.1 2,-0.1 -1,-0.3 -0.889 78.6-172.0-111.3 98.0 16.4 -16.1 14.8 228 234 A Y + 0 0 116 -2,-0.7 2,-0.2 -3,-0.2 -38,-0.1 -0.601 14.2 165.1 -95.9 75.2 19.3 -16.8 17.1 229 235 A G - 0 0 0 -2,-1.1 6,-0.1 1,-0.1 3,-0.1 -0.557 35.0-143.7 -88.5 154.8 22.0 -18.4 15.0 230 236 A H S S- 0 0 106 -2,-0.2 2,-0.3 1,-0.2 -1,-0.1 0.470 82.5 -1.5 -97.7 -1.9 25.6 -18.8 16.2 231 237 A D S > S- 0 0 79 -42,-0.1 4,-2.1 1,-0.0 -1,-0.2 -0.922 91.3 -83.5-171.6 168.7 27.2 -18.2 12.9 232 238 A N H > S+ 0 0 62 -2,-0.3 4,-1.5 1,-0.2 5,-0.1 0.861 126.3 48.7 -56.0 -40.1 26.0 -17.6 9.3 233 239 A H H > S+ 0 0 68 1,-0.2 4,-1.3 2,-0.2 3,-0.3 0.934 113.8 46.3 -64.7 -46.9 25.4 -21.2 8.5 234 240 A D H > S+ 0 0 33 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.788 104.2 64.3 -66.3 -28.5 23.5 -21.8 11.7 235 241 A Q H X S+ 0 0 0 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.926 102.8 47.2 -60.9 -44.5 21.6 -18.6 11.1 236 242 A L H X S+ 0 0 0 -4,-1.5 4,-2.5 -3,-0.3 -1,-0.2 0.850 110.1 54.4 -65.8 -32.8 20.0 -20.2 7.9 237 243 A V H X S+ 0 0 9 -4,-1.3 4,-1.9 2,-0.2 -2,-0.2 0.932 106.2 50.8 -65.2 -45.5 19.3 -23.3 10.0 238 244 A K H < S+ 0 0 42 -4,-2.6 4,-0.3 1,-0.2 -1,-0.2 0.858 112.2 47.5 -60.7 -36.5 17.4 -21.3 12.6 239 245 A I H >X S+ 0 0 0 -4,-1.7 4,-3.0 1,-0.2 3,-1.6 0.931 110.6 51.1 -69.5 -46.5 15.3 -19.7 9.8 240 246 A A H 3X S+ 0 0 0 -4,-2.5 4,-1.7 1,-0.3 -2,-0.2 0.802 101.2 63.0 -60.8 -31.7 14.6 -23.0 8.2 241 247 A K H 3< S+ 0 0 96 -4,-1.9 -1,-0.3 2,-0.2 -2,-0.2 0.622 116.5 30.7 -69.1 -14.1 13.4 -24.5 11.5 242 248 A V H <4 S+ 0 0 12 -3,-1.6 31,-2.9 -4,-0.3 -2,-0.2 0.779 127.4 35.7-108.8 -51.9 10.7 -21.9 11.5 243 249 A L H < S- 0 0 9 -4,-3.0 4,-0.4 29,-0.2 29,-0.3 0.671 108.3-125.0 -79.5 -16.7 9.8 -21.3 7.8 244 250 A G X - 0 0 2 -4,-1.7 4,-0.7 -5,-0.4 27,-0.2 0.114 12.9 -99.7 88.2 154.6 10.4 -24.9 6.8 245 251 A T H > S+ 0 0 3 25,-2.6 4,-2.4 2,-0.2 5,-0.1 0.634 110.0 75.5 -85.8 -15.0 12.7 -26.3 4.2 246 252 A D H > S+ 0 0 102 24,-0.6 4,-2.0 1,-0.2 -1,-0.2 0.947 102.2 40.8 -59.7 -49.1 9.9 -26.8 1.6 247 253 A G H > S+ 0 0 31 -4,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.841 111.7 56.6 -67.8 -32.9 9.8 -23.1 0.9 248 254 A L H X S+ 0 0 2 -4,-0.7 4,-2.5 1,-0.2 5,-0.2 0.895 107.2 51.1 -64.0 -38.6 13.6 -22.9 1.0 249 255 A N H X S+ 0 0 75 -4,-2.4 4,-2.1 1,-0.2 5,-0.2 0.940 107.2 49.3 -67.2 -45.1 13.7 -25.5 -1.7 250 256 A V H X S+ 0 0 94 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.902 113.0 51.0 -59.0 -39.6 11.3 -23.7 -4.0 251 257 A Y H X S+ 0 0 3 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.935 110.4 45.7 -62.6 -52.4 13.5 -20.5 -3.5 252 258 A L H <>S+ 0 0 13 -4,-2.5 5,-3.2 1,-0.2 -1,-0.2 0.845 114.7 49.5 -61.4 -36.3 16.8 -22.2 -4.3 253 259 A N H ><5S+ 0 0 119 -4,-2.1 3,-1.2 -5,-0.2 -1,-0.2 0.921 108.3 52.8 -69.2 -46.9 15.3 -23.9 -7.3 254 260 A K H 3<5S+ 0 0 92 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.878 117.5 37.1 -56.4 -43.0 13.7 -20.6 -8.6 255 261 A Y T 3<5S- 0 0 29 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.255 109.2-119.7 -97.9 13.5 17.1 -18.8 -8.4 256 262 A R T < 5 + 0 0 206 -3,-1.2 2,-0.4 1,-0.2 -3,-0.2 0.884 57.9 158.3 51.8 44.5 19.2 -21.7 -9.5 257 263 A I < - 0 0 42 -5,-3.2 2,-0.6 -6,-0.2 -1,-0.2 -0.852 30.0-157.3-103.7 135.0 21.2 -21.7 -6.3 258 264 A E - 0 0 169 -2,-0.4 2,-0.1 -60,-0.1 6,-0.0 -0.929 15.4-136.9-112.7 111.5 23.0 -24.7 -5.0 259 265 A L - 0 0 18 -2,-0.6 -61,-0.1 1,-0.1 -60,-0.0 -0.393 31.8-105.8 -63.5 140.0 23.7 -24.8 -1.2 260 266 A D > - 0 0 61 1,-0.1 4,-2.5 -2,-0.1 5,-0.2 -0.270 34.2-108.1 -61.2 156.8 27.3 -26.0 -0.5 261 267 A P H > S+ 0 0 110 0, 0.0 4,-1.8 0, 0.0 5,-0.2 0.889 116.3 52.3 -55.3 -43.1 27.3 -29.6 0.8 262 268 A Q H > S+ 0 0 141 1,-0.2 4,-2.2 2,-0.2 3,-0.2 0.961 112.8 42.8 -59.2 -54.2 28.2 -28.5 4.3 263 269 A L H > S+ 0 0 3 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.893 110.4 56.8 -61.2 -40.9 25.4 -26.0 4.7 264 270 A E H X S+ 0 0 113 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.869 108.9 46.7 -60.2 -37.2 22.9 -28.3 3.1 265 271 A A H < S+ 0 0 77 -4,-1.8 -1,-0.2 -3,-0.2 -2,-0.2 0.935 111.6 50.4 -70.0 -46.6 23.6 -31.0 5.6 266 272 A L H < S+ 0 0 97 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.904 109.3 52.3 -57.5 -42.5 23.4 -28.6 8.5 267 273 A V H < S+ 0 0 4 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.883 83.5 166.5 -61.6 -41.1 20.0 -27.2 7.2 268 274 A G < - 0 0 46 -4,-1.6 2,-0.4 -5,-0.2 -1,-0.2 -0.317 47.4 -53.5 61.7-138.9 18.6 -30.7 7.1 269 275 A R + 0 0 204 -4,-0.1 2,-0.3 2,-0.0 -1,-0.1 -0.992 56.7 171.2-142.3 132.9 14.8 -30.8 6.6 270 276 A H - 0 0 59 -2,-0.4 -25,-2.6 -30,-0.1 -24,-0.6 -0.995 27.5-127.7-143.4 146.7 12.1 -29.2 8.7 271 277 A S - 0 0 101 -2,-0.3 -27,-0.3 -27,-0.2 2,-0.1 -0.609 46.8 -87.2 -89.4 154.0 8.4 -28.6 8.5 272 278 A R - 0 0 109 -29,-0.3 -29,-0.2 -2,-0.2 -1,-0.1 -0.339 35.3-140.4 -63.1 137.1 7.0 -25.1 8.8 273 279 A K - 0 0 84 -31,-2.9 5,-0.1 -2,-0.1 -1,-0.1 -0.888 23.4-119.6-103.8 111.9 6.2 -23.9 12.3 274 280 A P > - 0 0 66 0, 0.0 3,-1.5 0, 0.0 4,-0.3 -0.127 15.3-127.1 -48.9 137.0 3.0 -21.9 12.6 275 281 A W G > S+ 0 0 16 1,-0.3 3,-2.0 2,-0.2 4,-0.2 0.855 109.1 61.7 -55.6 -37.8 3.5 -18.3 13.8 276 282 A L G > S+ 0 0 107 1,-0.3 3,-1.8 2,-0.2 -1,-0.3 0.769 87.3 73.2 -62.0 -24.3 0.8 -18.9 16.5 277 283 A K G < S+ 0 0 143 -3,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.707 91.7 59.0 -62.8 -17.9 3.1 -21.6 18.0 278 284 A F G < S+ 0 0 36 -3,-2.0 -1,-0.3 -4,-0.3 -2,-0.2 0.564 82.4 106.7 -87.6 -9.6 5.3 -18.7 19.2 279 285 A M < + 0 0 71 -3,-1.8 2,-0.3 -4,-0.2 -58,-0.1 -0.466 41.6 151.4 -74.1 139.4 2.5 -17.1 21.3 280 286 A N >> - 0 0 81 -2,-0.2 3,-1.2 -59,-0.0 4,-1.1 -0.886 60.5 -75.7-152.1-178.3 2.7 -17.4 25.0 281 287 A A T 34 S+ 0 0 86 -2,-0.3 4,-0.3 1,-0.3 3,-0.1 0.790 125.1 55.1 -56.0 -33.9 1.7 -15.6 28.3 282 288 A D T 34 S+ 0 0 113 1,-0.2 -1,-0.3 2,-0.1 -3,-0.1 0.713 120.6 27.1 -74.9 -21.1 4.5 -13.1 27.9 283 289 A N T X> S+ 0 0 0 -3,-1.2 3,-1.7 1,-0.1 4,-1.5 0.300 84.9 103.6-126.2 7.1 3.5 -12.0 24.4 284 290 A Q T 3< S+ 0 0 124 -4,-1.1 3,-0.2 1,-0.3 -3,-0.1 0.876 76.9 62.0 -59.2 -37.3 -0.2 -12.6 24.2 285 291 A H T 34 S+ 0 0 99 -4,-0.3 -1,-0.3 1,-0.2 -161,-0.2 0.646 113.6 36.4 -67.2 -8.1 -0.9 -8.9 24.6 286 292 A L T <4 S+ 0 0 4 -3,-1.7 2,-0.8 -66,-0.3 -1,-0.2 0.578 92.8 91.0-117.2 -18.9 1.0 -8.2 21.4 287 293 A V < + 0 0 17 -4,-1.5 -1,-0.1 -3,-0.2 -163,-0.0 -0.747 49.9 155.5 -89.1 111.6 0.2 -11.1 19.1 288 294 A S > - 0 0 24 -2,-0.8 4,-2.4 1,-0.1 5,-0.2 -0.900 55.8-106.3-129.1 158.9 -2.9 -10.4 17.0 289 295 A P H > S+ 0 0 115 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.842 121.4 50.4 -53.3 -37.6 -4.1 -11.8 13.6 290 296 A E H > S+ 0 0 76 2,-0.2 4,-2.3 1,-0.2 27,-0.2 0.890 109.2 50.7 -69.9 -38.3 -3.1 -8.5 11.9 291 297 A A H > S+ 0 0 0 -3,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.924 112.8 46.7 -63.2 -44.6 0.4 -8.5 13.4 292 298 A I H X S+ 0 0 23 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.865 111.1 51.1 -65.9 -39.4 0.9 -12.1 12.3 293 299 A D H X S+ 0 0 56 -4,-2.0 4,-1.4 -5,-0.2 -2,-0.2 0.928 112.1 46.8 -65.2 -44.8 -0.4 -11.4 8.8 294 300 A F H < S+ 0 0 0 -4,-2.3 3,-0.5 2,-0.2 4,-0.4 0.953 114.7 46.8 -60.4 -50.1 1.9 -8.4 8.4 295 301 A L H >X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 3,-1.8 0.914 107.8 56.6 -57.2 -46.4 4.9 -10.4 9.8 296 302 A D H 3< S+ 0 0 37 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.817 105.0 52.6 -55.5 -34.7 4.1 -13.4 7.5 297 303 A K T 3< S+ 0 0 69 -4,-1.4 10,-1.6 -3,-0.5 -1,-0.3 0.526 112.4 44.8 -81.8 -6.9 4.3 -11.1 4.5 298 304 A L T <4 S+ 0 0 0 -3,-1.8 2,-1.8 -4,-0.4 -2,-0.2 0.813 102.7 63.6 -99.7 -47.2 7.8 -9.8 5.5 299 305 A L < + 0 0 1 -4,-2.5 2,-0.4 -86,-0.1 -1,-0.2 -0.529 69.6 134.4 -84.2 75.5 9.5 -13.0 6.4 300 306 A R - 0 0 62 -2,-1.8 6,-0.1 -3,-0.2 5,-0.1 -0.958 56.3-137.0-120.5 138.6 9.4 -14.8 3.0 301 307 A Y S S+ 0 0 15 -2,-0.4 2,-0.6 1,-0.1 -106,-0.2 0.966 92.6 74.2 -57.5 -52.8 12.5 -16.6 1.7 302 308 A D S >> S- 0 0 6 1,-0.2 3,-2.0 -3,-0.1 4,-0.7 -0.504 72.4-157.0 -67.7 109.5 11.9 -15.2 -1.8 303 309 A H G >4 S+ 0 0 2 -2,-0.6 3,-0.7 1,-0.3 -1,-0.2 0.807 92.5 61.3 -58.0 -28.3 12.9 -11.5 -1.5 304 310 A Q G 34 S+ 0 0 54 1,-0.2 -1,-0.3 -301,-0.1 -2,-0.1 0.689 100.0 54.9 -72.7 -17.3 10.6 -10.8 -4.5 305 311 A E G <4 S+ 0 0 96 -3,-2.0 -1,-0.2 -7,-0.1 -2,-0.2 0.593 86.5 103.8 -88.5 -15.7 7.6 -12.0 -2.5 306 312 A R S << S- 0 0 5 -3,-0.7 -8,-0.2 -4,-0.7 -9,-0.1 -0.312 81.7 -98.9 -69.8 152.1 8.2 -9.6 0.4 307 313 A L - 0 0 27 -10,-1.6 2,-0.2 -13,-0.2 -1,-0.1 -0.361 35.8-125.5 -64.3 148.3 6.1 -6.5 1.0 308 314 A T > - 0 0 24 1,-0.1 4,-2.9 -3,-0.1 5,-0.2 -0.549 28.9-106.1 -87.6 163.2 7.8 -3.3 -0.2 309 315 A A H > S+ 0 0 2 1,-0.2 4,-1.8 2,-0.2 -170,-0.2 0.881 122.5 51.2 -58.9 -37.6 8.0 -0.5 2.4 310 316 A L H > S+ 0 0 94 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.913 112.5 44.7 -65.5 -44.5 5.2 1.4 0.6 311 317 A E H >4 S+ 0 0 86 1,-0.2 3,-1.4 2,-0.2 4,-0.4 0.917 109.6 57.1 -64.1 -45.2 2.9 -1.6 0.6 312 318 A A H >< S+ 0 0 0 -4,-2.9 3,-1.7 1,-0.3 6,-0.2 0.895 100.8 57.5 -52.4 -44.4 3.8 -2.4 4.2 313 319 A M H 3< S+ 0 0 21 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.703 104.3 51.9 -62.6 -21.0 2.6 1.0 5.3 314 320 A T T << S+ 0 0 88 -3,-1.4 -1,-0.3 -4,-0.6 -2,-0.2 0.411 80.3 123.8 -96.4 1.4 -0.8 0.4 3.8 315 321 A H S X S- 0 0 9 -3,-1.7 3,-2.0 -4,-0.4 4,-0.1 -0.343 74.2-119.8 -62.6 141.0 -1.3 -2.9 5.7 316 322 A P G > S+ 0 0 66 0, 0.0 3,-2.2 0, 0.0 4,-0.3 0.742 107.2 78.3 -54.0 -22.9 -4.5 -2.9 7.8 317 323 A Y G 3 S+ 0 0 3 1,-0.3 3,-0.3 -27,-0.2 4,-0.2 0.848 99.7 41.1 -55.2 -34.1 -2.2 -3.5 10.9 318 324 A F G <> S+ 0 0 0 -3,-2.0 4,-2.3 -6,-0.2 -1,-0.3 0.182 80.4 116.4 -99.2 17.1 -1.4 0.3 10.8 319 325 A Q H <> S+ 0 0 104 -3,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.855 77.7 45.6 -57.8 -36.7 -4.9 1.4 10.0 320 326 A Q H > S+ 0 0 103 -3,-0.3 4,-2.8 -4,-0.3 -1,-0.2 0.854 110.3 54.8 -73.5 -34.0 -5.3 3.4 13.3 321 327 A V H > S+ 0 0 4 -3,-0.2 4,-1.4 2,-0.2 -2,-0.2 0.900 113.1 42.3 -64.4 -42.9 -1.9 4.9 12.9 322 328 A R H X S+ 0 0 62 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.922 112.8 52.8 -69.8 -46.1 -2.8 6.2 9.4 323 329 A A H < S+ 0 0 51 -4,-2.4 -2,-0.2 -5,-0.3 -3,-0.2 0.953 110.9 47.1 -53.6 -52.3 -6.3 7.3 10.5 324 330 A A H >< S+ 0 0 60 -4,-2.8 3,-0.6 1,-0.2 -1,-0.2 0.848 112.1 52.0 -57.8 -36.6 -4.8 9.3 13.4 325 331 A E H 3< S+ 0 0 85 -4,-1.4 2,-1.4 1,-0.2 -1,-0.2 0.897 94.9 68.3 -68.9 -42.4 -2.3 10.8 11.0 326 332 A N T 3< 0 0 135 -4,-2.7 -1,-0.2 -5,-0.1 -2,-0.1 0.029 360.0 360.0 -68.0 32.5 -5.0 11.9 8.5 327 333 A S < 0 0 164 -2,-1.4 -3,-0.0 -3,-0.6 0, 0.0 -0.964 360.0 360.0-141.3 360.0 -6.1 14.5 11.1