==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 13-MAY-05 1ZOE . COMPND 2 MOLECULE: PROTEIN KINASE CK2, ALPHA SUBUNIT; . SOURCE 2 ORGANISM_SCIENTIFIC: ZEA MAYS; . AUTHOR R.BATTISTUTTA,M.MAZZORANA,S.SARNO,Z.KAZIMIERCZUK,G.ZANOTTI, . 325 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15906.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 206 63.4 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 12.3 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 . 22 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 92 28.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.8 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 0 1 1 1 0 1 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 2 1 0 0 2 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 48 0, 0.0 178,-0.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 136.2 17.8 -10.9 -9.2 2 8 A K - 0 0 143 176,-0.1 202,-0.1 177,-0.1 5,-0.1 -0.987 360.0 -91.2-134.8 150.2 16.9 -7.2 -9.2 3 9 A A - 0 0 2 -2,-0.3 4,-0.1 200,-0.2 3,-0.1 -0.157 27.2-139.5 -49.0 152.3 14.8 -5.1 -6.8 4 10 A R S S+ 0 0 156 1,-0.1 2,-0.3 2,-0.1 -1,-0.1 0.506 84.5 27.3 -97.2 -9.4 11.1 -4.9 -7.7 5 11 A V S S+ 0 0 59 1,-0.0 200,-0.2 2,-0.0 -1,-0.1 -0.949 118.4 18.4-147.2 158.3 10.9 -1.2 -6.9 6 12 A Y S > S+ 0 0 68 -2,-0.3 3,-1.0 1,-0.1 4,-0.3 0.738 75.7 141.6 53.5 25.2 13.2 1.8 -6.8 7 13 A A T 3 + 0 0 25 1,-0.2 3,-0.3 2,-0.1 4,-0.2 0.863 65.7 41.0 -70.9 -32.0 15.7 -0.1 -9.1 8 14 A D T 3> S+ 0 0 87 1,-0.2 4,-2.5 2,-0.1 5,-0.3 0.224 78.6 109.4-102.4 15.0 16.8 2.8 -11.3 9 15 A V H <> S+ 0 0 16 -3,-1.0 4,-1.5 1,-0.2 -1,-0.2 0.959 86.3 38.4 -58.9 -49.4 17.1 5.6 -8.7 10 16 A N H 4 S+ 0 0 2 166,-0.4 -1,-0.2 -4,-0.3 8,-0.2 0.767 113.4 58.0 -75.3 -21.3 20.9 5.8 -8.8 11 17 A V H 4 S+ 0 0 97 -4,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.909 111.3 41.7 -68.4 -45.1 21.0 5.2 -12.6 12 18 A L H < S+ 0 0 126 -4,-2.5 -2,-0.2 2,-0.1 -1,-0.2 0.746 101.9 84.2 -74.7 -28.0 18.8 8.3 -13.1 13 19 A R S < S- 0 0 80 -4,-1.5 5,-0.1 -5,-0.3 0, 0.0 -0.478 93.0 -93.9 -79.2 154.4 20.6 10.5 -10.6 14 20 A P > - 0 0 81 0, 0.0 3,-2.2 0, 0.0 4,-0.5 -0.294 40.2-111.4 -55.1 146.7 23.8 12.4 -11.4 15 21 A K G >> S+ 0 0 121 1,-0.3 4,-2.6 2,-0.2 3,-0.6 0.726 112.3 70.1 -63.7 -21.9 26.9 10.5 -10.5 16 22 A E G 34 S+ 0 0 143 1,-0.2 -1,-0.3 2,-0.2 6,-0.0 0.693 89.7 64.4 -69.2 -13.3 27.8 12.9 -7.6 17 23 A Y G <4 S+ 0 0 32 -3,-2.2 -1,-0.2 1,-0.1 -2,-0.2 0.887 120.8 15.8 -74.6 -36.5 24.8 11.6 -5.6 18 24 A W T <4 S+ 0 0 61 -3,-0.6 2,-2.7 -4,-0.5 3,-0.2 0.576 98.3 92.4-115.3 -20.9 26.1 8.0 -5.3 19 25 A D >< + 0 0 38 -4,-2.6 3,-1.9 1,-0.2 4,-0.2 -0.397 48.8 167.0 -76.3 72.5 29.8 8.2 -6.1 20 26 A Y G > + 0 0 20 -2,-2.7 3,-2.5 1,-0.3 -1,-0.2 0.795 63.4 71.8 -62.8 -28.1 30.7 8.8 -2.5 21 27 A E G 3 S+ 0 0 101 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.770 93.2 58.3 -59.1 -23.9 34.4 8.1 -3.1 22 28 A A G < S+ 0 0 64 -3,-1.9 -1,-0.3 2,-0.1 -2,-0.2 0.533 81.4 118.9 -82.0 -4.0 34.5 11.5 -4.8 23 29 A L < - 0 0 28 -3,-2.5 2,-0.6 -4,-0.2 50,-0.1 -0.291 50.6-155.9 -66.4 143.1 33.3 13.4 -1.8 24 30 A T - 0 0 105 49,-0.0 2,-0.1 2,-0.0 -2,-0.1 -0.969 21.8-133.1-114.9 117.7 35.5 16.0 -0.2 25 31 A V - 0 0 27 -2,-0.6 2,-0.8 1,-0.1 48,-0.0 -0.468 6.2-147.9 -75.7 141.4 34.5 16.4 3.4 26 32 A Q - 0 0 149 -2,-0.1 68,-0.3 69,-0.0 -1,-0.1 -0.782 22.8-146.8-106.9 86.3 34.1 20.0 4.7 27 33 A W - 0 0 82 -2,-0.8 68,-0.2 1,-0.1 2,-0.0 -0.202 10.4-152.9 -61.6 139.0 35.2 19.7 8.4 28 34 A G - 0 0 26 66,-3.0 2,-0.8 1,-0.1 68,-0.3 0.028 38.2 -62.4 -92.2-159.5 33.4 21.9 11.0 29 35 A E > - 0 0 128 1,-0.2 3,-2.3 66,-0.1 4,-0.3 -0.803 32.6-158.8-101.9 112.5 34.7 23.2 14.3 30 36 A Q G > S+ 0 0 59 -2,-0.8 3,-1.1 66,-0.3 -1,-0.2 0.785 91.1 60.4 -48.0 -37.1 35.6 20.6 16.9 31 37 A D G 3 S+ 0 0 130 1,-0.3 -1,-0.3 3,-0.0 22,-0.2 0.528 83.8 79.0 -73.5 -13.1 35.3 23.2 19.7 32 38 A D G < S+ 0 0 39 -3,-2.3 21,-2.0 1,-0.1 22,-0.5 0.723 92.3 55.8 -67.6 -19.3 31.6 23.9 19.0 33 39 A Y E < -A 52 0A 27 -3,-1.1 2,-0.4 -4,-0.3 19,-0.2 -0.953 66.4-165.3-128.7 119.4 30.6 20.7 20.8 34 40 A E E -A 51 0A 118 17,-2.5 17,-1.8 -2,-0.5 2,-0.3 -0.852 22.9-121.1-110.3 136.3 31.3 19.6 24.4 35 41 A V E +A 50 0A 78 -2,-0.4 15,-0.2 15,-0.2 3,-0.1 -0.565 31.0 170.6 -74.9 128.1 31.0 16.2 25.9 36 42 A V E - 0 0 82 13,-2.8 2,-0.3 1,-0.3 14,-0.2 0.767 61.6 -19.7-105.1 -40.6 28.6 16.0 28.9 37 43 A R E -A 49 0A 173 12,-1.5 12,-2.7 0, 0.0 -1,-0.3 -0.949 62.7-102.0-167.7 146.2 28.2 12.2 29.5 38 44 A K E +A 48 0A 106 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.475 37.5 165.2 -69.8 141.7 28.6 8.8 27.9 39 45 A V E - 0 0 74 8,-2.8 2,-0.3 1,-0.3 9,-0.2 0.565 57.6 -9.3-133.2 -17.4 25.3 7.2 26.7 40 46 A G E -A 47 0A 27 7,-1.8 7,-1.4 2,-0.0 -1,-0.3 -0.914 53.3-170.6-163.5-171.3 26.1 4.3 24.4 41 47 A R E +A 46 0A 184 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.964 3.5 176.8-179.1 168.6 28.8 2.5 22.4 42 48 A G E > -A 45 0A 25 3,-2.8 3,-1.1 -2,-0.3 -2,-0.0 -0.968 51.4 -68.4-171.0 178.0 29.7 -0.1 19.9 43 49 A K T 3 S+ 0 0 157 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.781 130.3 30.5 -42.8 -40.1 32.3 -1.9 17.8 44 50 A Y T 3 S+ 0 0 137 1,-0.1 21,-2.3 20,-0.0 2,-0.3 0.444 124.3 8.1-112.0 3.5 33.0 1.2 15.7 45 51 A S E < -AB 42 64A 12 -3,-1.1 -3,-2.8 19,-0.2 2,-0.3 -0.981 50.9-124.2-166.0 177.5 32.3 4.0 18.1 46 52 A E E -AB 41 63A 75 17,-1.6 17,-2.6 -2,-0.3 2,-0.4 -0.993 30.0-152.8-136.2 133.7 31.5 5.7 21.5 47 53 A V E +AB 40 62A 28 -7,-1.4 -8,-2.8 -2,-0.3 -7,-1.8 -0.927 13.7 178.2-123.2 133.4 28.5 7.9 21.9 48 54 A F E -AB 38 61A 30 13,-2.4 13,-3.2 -2,-0.4 2,-0.3 -0.945 34.2-114.4-132.9 148.8 27.9 10.8 24.2 49 55 A E E +AB 37 60A 25 -12,-2.7 -13,-2.8 -2,-0.3 -12,-1.5 -0.624 49.2 178.6 -71.6 141.0 25.3 13.4 25.1 50 56 A G E -AB 35 59A 1 9,-3.1 9,-1.9 -2,-0.3 2,-0.4 -0.782 26.1-126.7-135.9 179.8 26.9 16.8 24.3 51 57 A I E -AB 34 58A 48 -17,-1.8 -17,-2.5 -2,-0.2 2,-0.8 -0.995 15.7-134.2-133.4 131.0 26.1 20.5 24.2 52 58 A N E >> -AB 33 57A 26 5,-1.9 4,-2.5 -2,-0.4 5,-0.6 -0.782 19.3-153.7 -75.1 105.3 26.4 23.0 21.3 53 59 A V T 45S+ 0 0 57 -21,-2.0 -1,-0.1 -2,-0.8 -20,-0.1 0.698 88.0 61.0 -60.1 -23.1 28.2 25.8 23.1 54 60 A N T 45S+ 0 0 110 -22,-0.5 -1,-0.2 1,-0.2 -21,-0.1 0.972 125.5 11.0 -69.2 -52.7 26.8 28.3 20.6 55 61 A N T 45S- 0 0 75 -3,-0.3 -2,-0.2 2,-0.1 -1,-0.2 0.409 92.3-126.5-110.5 3.0 23.1 27.7 21.4 56 62 A N T <5 + 0 0 116 -4,-2.5 2,-0.2 1,-0.2 -3,-0.2 0.768 59.5 147.9 55.3 27.2 23.3 25.6 24.5 57 63 A E E < -B 52 0A 115 -5,-0.6 -5,-1.9 1,-0.1 -1,-0.2 -0.607 52.3-107.2 -87.6 151.0 21.1 23.0 22.8 58 64 A K E +B 51 0A 116 -2,-0.2 51,-0.4 -7,-0.2 2,-0.3 -0.495 46.0 167.2 -72.9 152.1 21.5 19.3 23.6 59 65 A C E -B 50 0A 5 -9,-1.9 -9,-3.1 49,-0.2 2,-0.4 -0.934 33.2-113.3-149.4 177.6 23.1 17.0 20.9 60 66 A I E -BC 49 107A 30 47,-2.6 47,-2.9 -2,-0.3 2,-0.5 -0.966 22.8-157.3-118.3 132.8 24.6 13.5 20.4 61 67 A I E -BC 48 106A 5 -13,-3.2 -13,-2.4 -2,-0.4 2,-0.8 -0.949 3.4-165.6-117.3 122.2 28.3 13.0 19.6 62 68 A K E -BC 47 105A 19 43,-2.8 43,-2.1 -2,-0.5 2,-0.6 -0.867 8.2-161.6-108.6 97.3 29.5 9.9 17.9 63 69 A I E -BC 46 104A 54 -17,-2.6 -17,-1.6 -2,-0.8 2,-0.3 -0.693 17.1-136.9 -84.5 120.4 33.3 9.6 18.2 64 70 A L E -B 45 0A 17 39,-2.6 -19,-0.2 -2,-0.6 3,-0.1 -0.511 2.9-133.3 -81.6 136.7 34.6 7.2 15.6 65 71 A K - 0 0 86 -21,-2.3 -1,-0.0 -2,-0.3 -21,-0.0 -0.465 62.3 -57.1 -72.7 159.9 37.2 4.5 16.2 66 72 A P S S+ 0 0 132 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.130 74.2 173.9 -49.4 127.7 40.0 4.4 13.5 67 73 A V - 0 0 42 -3,-0.1 2,-0.1 3,-0.0 -3,-0.0 -0.969 32.8 -98.4-144.5 144.9 38.3 3.9 10.2 68 74 A K > - 0 0 125 -2,-0.3 4,-2.2 1,-0.1 5,-0.3 -0.384 30.6-120.5 -71.6 144.7 39.2 3.8 6.5 69 75 A K H > S+ 0 0 145 1,-0.3 4,-1.7 2,-0.2 5,-0.2 0.859 114.2 52.0 -50.7 -41.8 38.7 6.9 4.2 70 76 A K H > S+ 0 0 113 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.944 109.1 48.7 -62.7 -48.1 36.4 4.8 2.0 71 77 A K H > S+ 0 0 52 1,-0.2 4,-1.6 2,-0.2 3,-0.4 0.941 112.6 44.5 -63.0 -49.6 34.2 3.6 4.9 72 78 A I H X S+ 0 0 18 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.828 109.1 55.7 -66.9 -35.2 33.6 6.9 6.6 73 79 A K H X S+ 0 0 32 -4,-1.7 4,-2.1 -5,-0.3 -1,-0.2 0.777 105.7 54.7 -64.2 -31.3 32.9 8.9 3.4 74 80 A R H X S+ 0 0 39 -4,-1.4 4,-2.0 -3,-0.4 -2,-0.2 0.925 110.8 43.6 -66.6 -47.4 30.2 6.3 2.6 75 81 A E H X S+ 0 0 12 -4,-1.6 4,-2.3 1,-0.2 5,-0.2 0.948 115.4 48.5 -66.4 -45.9 28.4 6.8 5.9 76 82 A I H X S+ 0 0 3 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.952 112.0 48.0 -60.5 -46.7 28.7 10.6 5.7 77 83 A K H X S+ 0 0 31 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.924 111.9 48.9 -61.2 -44.1 27.4 10.8 2.2 78 84 A I H X S+ 0 0 0 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.931 111.5 50.1 -61.6 -44.7 24.4 8.6 2.8 79 85 A L H X S+ 0 0 3 -4,-2.3 4,-1.5 1,-0.2 12,-0.3 0.871 110.8 49.2 -61.0 -42.0 23.5 10.6 6.0 80 86 A Q H < S+ 0 0 91 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.863 109.7 52.7 -68.2 -32.5 23.7 13.8 4.1 81 87 A N H < S+ 0 0 31 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.852 116.9 37.9 -68.7 -33.0 21.5 12.4 1.3 82 88 A L H >< S+ 0 0 0 -4,-1.6 3,-2.2 -5,-0.1 -1,-0.2 0.596 82.8 127.2 -93.3 -18.3 18.8 11.3 3.8 83 89 A C T 3< S+ 0 0 54 -4,-1.5 7,-0.1 1,-0.3 6,-0.1 -0.182 76.4 22.8 -53.2 127.0 18.9 14.3 6.2 84 90 A G T 3 S+ 0 0 52 4,-0.4 -1,-0.3 1,-0.4 3,-0.1 0.279 92.7 126.8 99.4 -5.3 15.4 15.8 6.6 85 91 A G S X S- 0 0 6 -3,-2.2 3,-1.6 1,-0.1 -1,-0.4 -0.372 75.2 -66.6 -79.6 164.4 13.5 12.6 5.6 86 92 A P T 3 S- 0 0 57 0, 0.0 54,-0.2 0, 0.0 -1,-0.1 -0.352 112.1 -16.8 -62.0 121.3 10.8 11.0 7.8 87 93 A N T 3 S+ 0 0 19 1,-0.2 80,-2.4 -2,-0.2 2,-0.5 0.600 95.0 139.9 58.9 23.9 12.2 9.6 11.1 88 94 A I B < -e 167 0B 2 -3,-1.6 -4,-0.4 78,-0.2 -1,-0.2 -0.830 62.3-109.1 -86.8 126.0 15.8 9.6 9.8 89 95 A V - 0 0 8 78,-1.9 2,-0.7 -2,-0.5 -4,-0.1 -0.268 37.9-120.8 -52.4 136.0 18.3 10.7 12.5 90 96 A K - 0 0 77 -7,-0.1 18,-1.4 -6,-0.1 2,-0.7 -0.765 13.4-147.2 -90.9 118.1 19.6 14.2 11.5 91 97 A L E +D 107 0A 18 -2,-0.7 16,-0.2 -12,-0.3 3,-0.1 -0.711 21.1 176.1 -79.5 114.1 23.3 14.6 11.0 92 98 A L E - 0 0 92 14,-2.6 2,-0.3 -2,-0.7 15,-0.2 0.823 55.6 -8.9 -90.0 -35.6 24.1 18.2 12.1 93 99 A D E -D 106 0A 39 13,-1.4 13,-3.2 -65,-0.0 2,-0.4 -0.986 47.8-141.7-162.2 157.8 27.9 18.5 11.8 94 100 A I E +D 105 0A 11 -2,-0.3 -66,-3.0 -68,-0.3 2,-0.3 -1.000 32.9 158.0-127.7 126.2 31.2 16.6 11.1 95 101 A V E -D 104 0A 0 9,-2.2 9,-2.8 -2,-0.4 2,-0.3 -0.865 17.8-158.5-143.4 170.4 34.4 17.5 13.0 96 102 A R E -D 103 0A 83 -68,-0.3 -66,-0.3 -2,-0.3 2,-0.1 -0.988 29.1 -96.7-160.3 152.3 37.7 16.1 14.0 97 103 A D > - 0 0 57 5,-1.7 4,-1.5 -2,-0.3 7,-0.0 -0.373 28.9-146.9 -62.6 130.1 40.6 16.3 16.5 98 104 A Q T 4 S+ 0 0 181 2,-0.2 -1,-0.1 1,-0.2 0, 0.0 0.973 94.7 44.5 -70.4 -46.8 43.5 18.3 15.1 99 105 A H T 4 S+ 0 0 182 1,-0.2 -1,-0.2 3,-0.0 -2,-0.0 0.930 134.5 16.2 -63.1 -43.9 46.3 16.4 16.8 100 106 A S T 4 S- 0 0 60 2,-0.1 -1,-0.2 0, 0.0 -2,-0.2 0.682 90.3-135.1-104.2 -22.1 44.9 12.9 16.1 101 107 A K < + 0 0 126 -4,-1.5 -3,-0.1 1,-0.2 -2,-0.0 0.879 39.9 168.3 66.4 35.4 42.4 13.6 13.4 102 108 A T - 0 0 53 -36,-0.1 -5,-1.7 1,-0.0 -1,-0.2 -0.751 30.4-130.4 -79.9 122.3 39.8 11.4 15.1 103 109 A P E - D 0 96A 15 0, 0.0 -39,-2.6 0, 0.0 2,-0.4 -0.407 22.3-169.5 -78.4 145.9 36.4 12.0 13.4 104 110 A S E -CD 63 95A 3 -9,-2.8 -9,-2.2 -41,-0.2 2,-0.4 -1.000 11.2-149.9-132.1 135.1 33.2 12.8 15.2 105 111 A L E -CD 62 94A 2 -43,-2.1 -43,-2.8 -2,-0.4 2,-0.5 -0.900 14.7-147.9-100.7 134.3 29.6 12.9 13.8 106 112 A I E +CD 61 93A 1 -13,-3.2 -14,-2.6 -2,-0.4 -13,-1.4 -0.925 22.2 176.5-108.9 125.8 27.2 15.3 15.5 107 113 A F E -CD 60 91A 16 -47,-2.9 -47,-2.6 -2,-0.5 -16,-0.2 -0.776 35.5 -87.3-124.6 161.0 23.5 14.4 15.7 108 114 A E - 0 0 30 -18,-1.4 2,-0.3 -2,-0.3 -49,-0.2 -0.275 52.5-106.7 -57.3 160.3 20.2 15.6 17.1 109 115 A Y - 0 0 52 -51,-0.4 2,-0.3 -50,-0.1 -1,-0.1 -0.746 32.9-174.1 -97.5 144.9 19.4 14.5 20.7 110 116 A V - 0 0 16 -2,-0.3 2,-2.0 -51,-0.1 48,-0.1 -0.990 26.3-137.2-138.0 123.6 16.8 11.9 21.6 111 117 A N - 0 0 81 -2,-0.3 49,-0.3 46,-0.1 50,-0.2 -0.456 42.2-176.4 -80.8 70.6 15.7 10.9 25.1 112 118 A N - 0 0 53 -2,-2.0 2,-0.5 47,-0.2 47,-0.2 -0.249 22.9-150.6 -71.6 150.2 15.7 7.2 24.3 113 119 A T - 0 0 50 45,-1.1 5,-0.1 -2,-0.0 45,-0.1 -0.985 34.4-106.5-121.2 118.1 14.7 4.4 26.7 114 120 A D >> - 0 0 84 -2,-0.5 4,-2.3 1,-0.2 3,-1.9 -0.041 26.9-123.1 -48.1 134.9 16.5 1.0 26.1 115 121 A F H 3> S+ 0 0 19 1,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.755 107.8 65.3 -58.0 -24.3 14.1 -1.4 24.4 116 122 A K H 34 S+ 0 0 110 1,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.857 113.8 31.9 -70.9 -25.6 14.6 -4.0 27.2 117 123 A V H <4 S+ 0 0 101 -3,-1.9 4,-0.3 2,-0.1 -2,-0.2 0.841 125.3 42.0 -93.1 -38.0 12.9 -1.6 29.7 118 124 A L H >X S+ 0 0 6 -4,-2.3 3,-1.8 1,-0.2 4,-0.5 0.913 101.6 63.0 -79.6 -43.0 10.4 0.2 27.4 119 125 A Y G >< S+ 0 0 9 -4,-1.6 3,-1.7 1,-0.3 -1,-0.2 0.873 95.7 60.3 -58.5 -41.4 9.0 -2.6 25.2 120 126 A P G 34 S+ 0 0 72 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.728 106.0 50.8 -52.4 -22.4 7.3 -4.5 28.2 121 127 A T G <4 S+ 0 0 85 -3,-1.8 2,-0.2 -4,-0.3 -2,-0.2 0.585 85.4 110.0 -94.6 -8.0 5.3 -1.3 28.9 122 128 A L << - 0 0 6 -3,-1.7 2,-0.1 -4,-0.5 -3,-0.0 -0.495 59.8-139.3 -75.0 134.9 4.0 -0.8 25.3 123 129 A T > - 0 0 73 -2,-0.2 4,-2.0 1,-0.1 5,-0.2 -0.349 31.8 -97.9 -75.6 164.8 0.3 -1.4 24.7 124 130 A D H > S+ 0 0 50 1,-0.2 4,-1.7 161,-0.2 3,-0.3 0.943 128.3 46.7 -45.5 -51.9 -1.1 -3.1 21.6 125 131 A Y H > S+ 0 0 61 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.926 106.3 58.3 -64.7 -38.9 -1.8 0.3 20.1 126 132 A D H > S+ 0 0 14 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.842 104.7 51.8 -54.8 -39.2 1.7 1.6 21.0 127 133 A I H X S+ 0 0 5 -4,-2.0 4,-2.3 -3,-0.3 5,-0.2 0.956 109.3 47.8 -68.7 -46.0 3.3 -1.2 19.0 128 134 A R H X S+ 0 0 41 -4,-1.7 4,-2.1 1,-0.2 -2,-0.2 0.938 113.6 51.1 -55.0 -47.2 1.3 -0.5 15.8 129 135 A Y H X S+ 0 0 47 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.937 111.7 42.3 -57.8 -54.4 2.1 3.2 16.3 130 136 A Y H X S+ 0 0 5 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.902 113.4 52.6 -68.6 -33.1 5.9 2.9 16.6 131 137 A I H X S+ 0 0 2 -4,-2.3 4,-2.1 -5,-0.3 -1,-0.2 0.900 106.8 53.0 -70.5 -33.7 6.3 0.3 13.9 132 138 A Y H X S+ 0 0 21 -4,-2.1 4,-1.5 -5,-0.2 -1,-0.2 0.911 107.6 52.3 -60.8 -43.7 4.4 2.5 11.5 133 139 A E H X S+ 0 0 18 -4,-2.0 4,-1.0 1,-0.2 3,-0.3 0.925 108.2 51.1 -61.0 -39.0 6.8 5.3 12.3 134 140 A L H >X S+ 0 0 0 -4,-2.2 4,-1.6 1,-0.2 3,-0.6 0.925 104.9 57.0 -64.3 -38.9 9.7 2.9 11.5 135 141 A L H 3X S+ 0 0 0 -4,-2.1 4,-2.9 1,-0.2 5,-0.3 0.834 98.5 60.1 -60.8 -34.2 8.2 2.0 8.1 136 142 A K H 3X S+ 0 0 45 -4,-1.5 4,-2.0 -3,-0.3 -1,-0.2 0.899 105.8 49.1 -59.5 -39.6 8.2 5.7 7.0 137 143 A A H <>S+ 0 0 0 -4,-2.7 5,-1.9 1,-0.2 3,-1.0 0.949 113.6 52.1 -71.3 -36.3 15.6 5.5 2.3 142 148 A H H ><5S+ 0 0 7 -4,-2.5 3,-2.4 1,-0.3 -1,-0.2 0.935 107.8 52.4 -54.2 -48.5 14.7 2.8 -0.2 143 149 A S H 3<5S+ 0 0 23 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.727 106.2 55.4 -62.9 -19.1 13.1 5.5 -2.5 144 150 A Q T <<5S- 0 0 31 -4,-1.2 -1,-0.3 -3,-1.0 -2,-0.2 0.223 124.9-102.6 -95.0 12.1 16.4 7.4 -2.2 145 151 A G T < 5S+ 0 0 0 -3,-2.4 31,-2.7 1,-0.2 2,-0.4 0.713 81.8 120.1 83.8 20.5 18.4 4.4 -3.5 146 152 A I E < -G 175 0C 0 -5,-1.9 2,-0.4 29,-0.3 29,-0.2 -0.962 48.8-152.9-127.5 136.8 19.8 3.2 -0.2 147 153 A M E -G 174 0C 0 27,-2.6 27,-1.6 -2,-0.4 58,-0.1 -0.874 7.9-154.4 -99.8 135.0 19.6 -0.0 1.9 148 154 A H - 0 0 1 -2,-0.4 24,-0.2 25,-0.2 -1,-0.2 0.978 15.7-172.5 -73.7 -50.3 20.0 0.3 5.6 149 155 A R + 0 0 8 56,-0.1 38,-0.9 24,-0.1 -1,-0.1 0.521 66.3 64.8 69.4 15.3 21.3 -3.3 6.2 150 156 A D + 0 0 15 37,-0.2 2,-0.2 36,-0.1 21,-0.1 -0.031 60.1 160.4-150.1 47.4 21.3 -3.2 10.1 151 157 A V + 0 0 1 40,-0.1 37,-0.3 3,-0.0 64,-0.1 -0.539 20.2 124.0 -69.1 135.6 17.7 -2.8 11.2 152 158 A K S > S- 0 0 36 -2,-0.2 3,-2.1 1,-0.1 4,-0.1 -0.874 72.3 -92.4 177.3 157.6 17.1 -3.9 14.9 153 159 A P G > S+ 0 0 9 0, 0.0 3,-2.0 0, 0.0 -38,-0.1 0.861 120.6 60.5 -56.1 -40.3 15.8 -2.4 18.2 154 160 A H G 3 S+ 0 0 90 1,-0.3 -3,-0.0 -40,-0.1 -40,-0.0 0.695 105.8 50.0 -57.9 -17.4 19.2 -1.1 19.3 155 161 A N G < S+ 0 0 8 -3,-2.1 13,-2.7 1,-0.1 2,-0.5 0.336 96.0 80.1-109.9 14.2 19.3 1.0 16.1 156 162 A V E < -F 167 0B 3 -3,-2.0 2,-0.3 11,-0.2 11,-0.2 -0.966 68.6-156.9-116.8 107.1 15.8 2.5 16.7 157 163 A M E -F 166 0B 37 9,-2.9 9,-2.3 -2,-0.5 2,-0.4 -0.759 12.8-172.1 -90.1 138.4 15.8 5.4 19.2 158 164 A I E -F 165 0B 4 -2,-0.3 -45,-1.1 7,-0.2 2,-0.8 -0.992 25.1-161.9-136.4 125.1 12.5 6.2 21.0 159 165 A D E >> -F 164 0B 9 5,-2.3 4,-1.9 -2,-0.4 5,-1.6 -0.870 17.3-168.9 -92.4 99.0 11.4 9.0 23.3 160 166 A H T 45S+ 0 0 51 -2,-0.8 -1,-0.2 -49,-0.3 -48,-0.1 0.873 81.4 52.1 -65.8 -36.4 8.3 7.4 24.9 161 167 A E T 45S+ 0 0 167 -50,-0.2 -1,-0.2 1,-0.2 -2,-0.0 0.936 122.7 31.4 -68.9 -36.1 6.9 10.5 26.5 162 168 A L T 45S- 0 0 106 -51,-0.1 -1,-0.2 2,-0.1 -2,-0.2 0.604 102.4-137.9 -87.9 -13.1 7.1 12.5 23.3 163 169 A R T <5 + 0 0 75 -4,-1.9 2,-0.4 1,-0.2 -3,-0.2 0.927 50.0 148.2 56.1 48.2 6.4 9.3 21.3 164 170 A K E < - F 0 159B 56 -5,-1.6 -5,-2.3 2,-0.0 2,-0.4 -0.934 29.9-159.8-118.2 145.7 9.1 10.2 18.7 165 171 A L E - F 0 158B 3 -2,-0.4 2,-0.3 -7,-0.2 -7,-0.2 -0.960 8.0-174.0-127.0 138.6 11.2 7.7 16.8 166 172 A R E - F 0 157B 46 -9,-2.3 -9,-2.9 -2,-0.4 2,-0.6 -0.996 21.0-137.7-133.4 136.3 14.5 7.9 14.9 167 173 A L E +eF 88 156B 0 -80,-2.4 -78,-1.9 -2,-0.3 -11,-0.2 -0.837 38.0 177.9 -88.3 118.5 16.4 5.3 12.8 168 174 A I + 0 0 41 -13,-2.7 -13,-0.0 -2,-0.6 -14,-0.0 -0.480 36.5 55.7-117.4-177.5 20.1 5.5 13.7 169 175 A D + 0 0 57 -2,-0.2 3,-0.5 1,-0.1 -1,-0.1 0.977 42.4 180.0 53.1 80.1 23.5 3.9 12.9 170 176 A W > + 0 0 2 1,-0.2 3,-0.8 2,-0.1 -1,-0.1 0.101 44.5 118.3 -91.0 24.3 24.0 4.2 9.1 171 177 A G T 3 S+ 0 0 10 1,-0.3 -1,-0.2 -21,-0.1 -96,-0.1 0.709 79.8 36.3 -64.8 -30.2 27.4 2.4 9.3 172 178 A L T 3 S+ 0 0 45 -3,-0.5 -1,-0.3 -24,-0.2 -2,-0.1 0.415 89.1 124.1-104.7 2.0 26.5 -0.5 7.2 173 179 A A < + 0 0 0 -3,-0.8 2,-0.3 -27,-0.1 -25,-0.2 -0.191 35.7 179.7 -65.3 155.3 24.2 1.3 4.7 174 180 A E E -G 147 0C 11 -27,-1.6 -27,-2.6 -96,-0.1 2,-0.3 -0.996 30.0-101.8-155.4 155.6 25.0 1.2 0.9 175 181 A F E -G 146 0C 0 -2,-0.3 2,-0.5 -29,-0.2 -29,-0.3 -0.643 36.8-122.1 -83.3 139.3 23.6 2.4 -2.4 176 182 A Y + 0 0 5 -31,-2.7 -166,-0.4 -2,-0.3 28,-0.1 -0.678 31.7 175.9 -87.6 127.1 21.6 0.1 -4.6 177 183 A H > - 0 0 48 -2,-0.5 3,-2.4 3,-0.1 -169,-0.1 -0.990 39.8-101.7-128.0 122.4 22.8 -0.6 -8.1 178 184 A P T 3 S- 0 0 66 0, 0.0 -176,-0.1 0, 0.0 3,-0.1 -0.197 101.3 -1.1 -47.7 122.1 21.1 -3.2 -10.4 179 185 A G T 3 S+ 0 0 46 -178,-0.4 -177,-0.1 1,-0.3 24,-0.0 0.238 89.9 145.0 82.0 -5.8 23.0 -6.5 -10.6 180 186 A K < - 0 0 93 -3,-2.4 2,-0.6 1,-0.1 -1,-0.3 -0.364 48.3-131.0 -63.5 142.5 25.8 -5.4 -8.3 181 187 A E - 0 0 115 21,-0.1 21,-0.2 -3,-0.1 2,-0.2 -0.882 28.6-160.7 -94.2 121.7 27.1 -8.3 -6.1 182 188 A Y - 0 0 7 19,-3.0 2,-0.3 -2,-0.6 21,-0.0 -0.484 25.2 -96.6 -98.6 164.8 27.3 -7.1 -2.4 183 189 A N - 0 0 94 -2,-0.2 -1,-0.1 1,-0.1 3,-0.1 -0.624 26.9-151.3 -79.9 135.3 29.2 -8.4 0.6 184 190 A V S S+ 0 0 18 -2,-0.3 2,-1.9 1,-0.2 -1,-0.1 0.541 73.3 97.3 -92.6 -0.7 26.9 -10.7 2.7 185 191 A R + 0 0 192 12,-0.0 2,-0.2 0, 0.0 -1,-0.2 -0.318 64.2 111.7 -81.6 56.6 28.6 -9.9 6.0 186 192 A V + 0 0 4 -2,-1.9 -36,-0.1 -3,-0.1 -37,-0.1 -0.695 47.9 32.0-122.7 177.8 26.1 -7.2 6.9 187 193 A A S S- 0 0 15 -38,-0.9 2,-0.3 -2,-0.2 -37,-0.2 0.011 91.3 -66.5 68.5 176.7 23.3 -6.8 9.5 188 194 A S > - 0 0 26 -37,-0.3 3,-1.6 1,-0.1 4,-0.3 -0.800 49.6-110.7-100.9 149.3 23.3 -8.2 13.0 189 195 A R G > S+ 0 0 90 -2,-0.3 3,-1.4 1,-0.3 -1,-0.1 0.824 112.7 48.9 -53.5 -46.7 23.1 -11.9 13.5 190 196 A Y G 3 S+ 0 0 76 1,-0.3 37,-0.3 39,-0.1 -1,-0.3 0.739 119.2 43.1 -66.9 -16.1 19.6 -12.4 15.0 191 197 A F G < S+ 0 0 13 -3,-1.6 2,-0.3 35,-0.1 -1,-0.3 0.223 82.0 125.5-111.6 10.1 18.3 -10.1 12.2 192 198 A K < - 0 0 19 -3,-1.4 -5,-0.1 -4,-0.3 16,-0.0 -0.566 56.2-128.1 -77.9 134.7 20.2 -11.5 9.1 193 199 A G >> - 0 0 0 -2,-0.3 4,-1.5 1,-0.1 3,-0.5 -0.285 23.7-106.9 -72.9 163.1 18.0 -12.6 6.2 194 200 A P H 3> S+ 0 0 0 0, 0.0 4,-1.5 0, 0.0 5,-0.2 0.849 117.5 64.9 -60.0 -34.7 18.3 -16.0 4.5 195 201 A E H 34>S+ 0 0 0 1,-0.2 5,-2.5 2,-0.2 4,-0.5 0.924 104.2 45.3 -53.1 -45.2 20.0 -14.4 1.5 196 202 A L H X45S+ 0 0 7 -3,-0.5 3,-0.6 1,-0.2 -1,-0.2 0.895 112.2 52.1 -67.1 -36.9 22.9 -13.4 3.7 197 203 A L H 3<5S+ 0 0 12 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.637 114.2 40.4 -78.2 -15.4 23.1 -16.8 5.3 198 204 A V T 3<5S- 0 0 9 -4,-1.5 -1,-0.2 -3,-0.5 -2,-0.2 0.254 115.2-109.7-112.9 7.6 23.2 -18.8 1.9 199 205 A D T < 5 + 0 0 104 -3,-0.6 2,-0.7 -4,-0.5 -3,-0.2 0.928 58.0 157.9 66.6 48.6 25.5 -16.4 0.2 200 206 A L < - 0 0 8 -5,-2.5 -1,-0.2 -6,-0.2 3,-0.2 -0.922 16.2-176.9 -97.5 110.0 23.2 -14.8 -2.4 201 207 A Q + 0 0 88 -2,-0.7 -19,-3.0 1,-0.2 2,-1.0 0.565 63.9 74.7 -94.6 -13.6 25.1 -11.5 -3.0 202 208 A D + 0 0 38 -21,-0.2 -1,-0.2 -7,-0.1 -21,-0.1 -0.392 69.6 140.4 -98.2 65.8 22.8 -9.7 -5.4 203 209 A Y - 0 0 0 -2,-1.0 2,-0.2 -3,-0.2 -200,-0.2 -0.244 28.7-169.5 -91.7-178.2 20.3 -8.8 -2.7 204 210 A D > - 0 0 9 -202,-0.1 3,-2.3 -2,-0.1 4,-0.3 -0.756 46.4 -43.8-155.6-159.6 18.4 -5.5 -2.4 205 211 A Y T > S+ 0 0 6 1,-0.3 3,-1.6 -2,-0.2 4,-0.5 0.787 116.4 75.5 -51.3 -33.1 16.1 -3.2 -0.3 206 212 A S T 3> S+ 0 0 17 1,-0.3 4,-1.2 2,-0.2 3,-0.4 0.661 76.6 76.5 -56.2 -19.7 14.0 -6.2 0.7 207 213 A L H X> S+ 0 0 0 -3,-2.3 4,-1.6 1,-0.2 3,-0.6 0.933 90.8 55.2 -56.0 -43.3 16.7 -7.4 3.0 208 214 A D H <> S+ 0 0 0 -3,-1.6 4,-2.5 -4,-0.3 -1,-0.2 0.787 98.4 62.1 -62.8 -28.2 15.6 -4.7 5.5 209 215 A M H 3> S+ 0 0 1 -4,-0.5 4,-1.6 -3,-0.4 -1,-0.2 0.878 102.5 50.6 -71.4 -31.8 12.0 -6.0 5.5 210 216 A W H S+ 0 0 3 -4,-1.7 5,-1.5 -5,-0.2 4,-1.1 0.915 110.6 48.4 -59.9 -43.2 10.0 -10.2 19.2 219 225 A M H <5S+ 0 0 5 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.940 113.3 41.1 -68.6 -52.8 7.7 -7.5 20.2 220 226 A I H <5S+ 0 0 0 -4,-2.5 66,-0.2 1,-0.2 -1,-0.2 0.939 124.7 36.9 -70.4 -35.6 4.3 -9.1 19.8 221 227 A F H <5S- 0 0 3 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.644 100.9-131.6 -88.3 -7.8 5.3 -12.5 21.2 222 228 A R T <5 + 0 0 70 -4,-1.1 2,-0.4 -5,-0.2 -3,-0.2 0.954 66.2 128.9 58.6 46.4 7.6 -11.0 23.9 223 229 A K < - 0 0 99 -5,-1.5 -1,-0.2 -6,-0.3 -2,-0.1 -0.837 52.1-139.7-133.5 96.1 10.3 -13.4 22.9 224 230 A E S S+ 0 0 46 -2,-0.4 2,-0.1 1,-0.1 -9,-0.1 -0.938 82.8 15.9-121.0 129.9 13.6 -11.5 22.2 225 231 A P S S- 0 0 33 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.711 80.6-155.9 -74.8 160.4 15.4 -12.1 20.1 226 232 A F S S+ 0 0 9 -12,-0.3 2,-0.7 1,-0.2 -2,-0.1 0.920 87.6 38.3 -67.4 -49.4 12.9 -14.2 18.1 227 233 A F S S- 0 0 5 -37,-0.3 2,-1.0 2,-0.0 -1,-0.2 -0.922 80.3-169.3-100.3 104.8 15.4 -16.3 16.1 228 234 A Y + 0 0 127 -2,-0.7 2,-0.2 -3,-0.1 -38,-0.1 -0.672 15.2 164.7-107.8 82.2 18.1 -16.9 18.7 229 235 A G - 0 0 0 -2,-1.0 3,-0.1 1,-0.1 -39,-0.1 -0.587 33.9-149.9 -95.7 159.9 21.1 -18.4 16.9 230 236 A H S S+ 0 0 129 1,-0.2 2,-0.3 -2,-0.2 -1,-0.1 0.736 81.1 2.0 -97.4 -28.9 24.7 -18.7 18.2 231 237 A D S > S- 0 0 84 -42,-0.1 4,-3.3 1,-0.0 -1,-0.2 -0.881 88.7 -85.6-147.7 179.6 26.4 -18.5 14.8 232 238 A N H > S+ 0 0 59 -2,-0.3 4,-1.3 1,-0.2 5,-0.1 0.841 126.0 46.4 -63.4 -40.6 25.6 -18.0 11.2 233 239 A H H > S+ 0 0 63 2,-0.2 4,-1.5 1,-0.2 3,-0.3 0.927 115.1 46.2 -63.6 -47.4 24.9 -21.7 10.5 234 240 A D H > S+ 0 0 36 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.900 106.9 60.5 -64.2 -38.9 22.8 -22.1 13.7 235 241 A Q H X S+ 0 0 0 -4,-3.3 4,-1.3 1,-0.2 -1,-0.2 0.895 105.2 47.5 -50.4 -42.0 21.0 -18.8 12.7 236 242 A L H X S+ 0 0 0 -4,-1.3 4,-1.7 -3,-0.3 -1,-0.2 0.876 110.7 52.9 -73.0 -32.8 19.8 -20.5 9.5 237 243 A V H X S+ 0 0 9 -4,-1.5 4,-2.1 1,-0.2 -2,-0.2 0.921 104.3 52.9 -68.1 -45.9 18.7 -23.6 11.4 238 244 A K H < S+ 0 0 63 -4,-2.8 4,-0.3 1,-0.2 -1,-0.2 0.886 110.9 49.2 -58.1 -34.1 16.5 -21.7 13.9 239 245 A I H >X S+ 0 0 0 -4,-1.3 4,-2.8 -5,-0.3 3,-1.3 0.911 108.4 52.8 -68.4 -41.6 14.8 -20.1 11.0 240 246 A A H 3X S+ 0 0 0 -4,-1.7 4,-1.7 1,-0.3 -2,-0.2 0.804 101.1 61.7 -62.0 -37.4 14.3 -23.5 9.3 241 247 A K H 3< S+ 0 0 87 -4,-2.1 -1,-0.3 2,-0.2 -2,-0.2 0.534 116.5 30.7 -66.9 -12.0 12.7 -24.8 12.5 242 248 A V H <4 S+ 0 0 15 -3,-1.3 31,-2.7 -4,-0.3 -2,-0.2 0.784 126.2 36.7-109.9 -55.1 9.9 -22.2 12.2 243 249 A L H < S- 0 0 28 -4,-2.8 29,-0.2 29,-0.2 4,-0.2 0.786 107.6-121.8 -69.4 -29.6 9.4 -21.6 8.5 244 250 A G X - 0 0 4 -4,-1.7 4,-0.6 -5,-0.4 27,-0.2 0.054 11.7-103.0 96.4 150.7 10.0 -25.2 7.4 245 251 A T H > S+ 0 0 4 25,-1.9 4,-2.9 2,-0.2 5,-0.2 0.691 106.2 73.3 -83.7 -19.7 12.6 -26.6 5.0 246 252 A D H > S+ 0 0 100 24,-0.5 4,-2.3 1,-0.2 5,-0.2 0.978 102.0 41.8 -61.8 -50.8 10.3 -27.2 2.0 247 253 A G H > S+ 0 0 33 -4,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.821 111.1 57.9 -63.1 -28.0 10.1 -23.5 1.2 248 254 A L H X S+ 0 0 2 -4,-0.6 4,-2.1 1,-0.2 -1,-0.2 0.947 107.8 48.2 -64.7 -44.3 13.8 -23.2 1.9 249 255 A N H X S+ 0 0 69 -4,-2.9 4,-1.6 1,-0.2 -2,-0.2 0.886 108.6 50.4 -62.3 -41.2 14.3 -25.8 -0.8 250 256 A V H X S+ 0 0 91 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.889 110.1 55.3 -67.8 -28.7 12.1 -24.2 -3.4 251 257 A Y H X S+ 0 0 4 -4,-1.6 4,-1.6 -5,-0.2 -2,-0.2 0.951 106.4 46.7 -63.2 -52.0 14.1 -21.0 -2.6 252 258 A L H <>S+ 0 0 11 -4,-2.1 5,-2.5 1,-0.2 4,-0.4 0.785 111.0 53.8 -64.5 -29.7 17.5 -22.5 -3.3 253 259 A N H <5S+ 0 0 121 -4,-1.6 3,-0.4 3,-0.2 -1,-0.2 0.914 106.6 49.7 -70.7 -45.7 16.3 -24.1 -6.6 254 260 A K H <5S+ 0 0 95 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.850 118.7 38.7 -65.4 -33.8 14.9 -20.8 -8.1 255 261 A Y T <5S- 0 0 32 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.479 107.8-127.6 -95.8 -0.8 18.2 -18.9 -7.3 256 262 A R T 5 + 0 0 217 -3,-0.4 2,-0.3 -4,-0.4 -3,-0.2 0.965 55.0 150.4 57.4 57.9 20.3 -21.9 -8.2 257 263 A I < - 0 0 31 -5,-2.5 2,-0.4 -6,-0.1 -1,-0.2 -0.902 35.7-146.7-121.4 143.1 22.3 -21.9 -5.0 258 264 A E - 0 0 186 -2,-0.3 2,-0.2 -60,-0.1 -5,-0.0 -0.980 14.4-130.0-121.6 137.9 23.9 -24.8 -3.2 259 265 A L - 0 0 19 -2,-0.4 -61,-0.1 1,-0.1 -60,-0.0 -0.461 34.0 -99.1 -71.3 138.4 24.3 -25.1 0.6 260 266 A D > - 0 0 82 -2,-0.2 4,-3.1 1,-0.1 5,-0.2 -0.391 35.8-121.6 -53.4 137.4 27.6 -26.0 2.2 261 267 A P H > S+ 0 0 99 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.908 114.9 50.2 -50.4 -47.8 27.5 -29.7 2.9 262 268 A Q H > S+ 0 0 105 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.916 111.4 49.4 -55.3 -47.6 28.1 -29.1 6.6 263 269 A L H > S+ 0 0 8 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.968 106.0 56.6 -54.3 -57.6 25.3 -26.5 6.5 264 270 A E H X S+ 0 0 106 -4,-3.1 4,-1.9 1,-0.2 -1,-0.2 0.845 107.0 48.7 -46.1 -46.4 22.9 -28.9 4.8 265 271 A A H < S+ 0 0 79 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.932 111.1 48.1 -65.0 -47.0 23.2 -31.5 7.5 266 272 A L H < S+ 0 0 103 -4,-1.8 -2,-0.2 -3,-0.2 -1,-0.2 0.945 110.0 53.5 -57.1 -47.7 22.7 -29.1 10.4 267 273 A V H < S+ 0 0 4 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.963 85.7 162.6 -53.9 -62.3 19.6 -27.6 8.8 268 274 A G < - 0 0 40 -4,-1.9 2,-0.4 -5,-0.2 -1,-0.1 -0.408 46.6 -46.2 84.1-154.5 17.9 -31.0 8.3 269 275 A R + 0 0 157 -2,-0.1 2,-0.3 -25,-0.0 -28,-0.0 -0.985 62.1 163.1-120.5 131.5 14.2 -31.6 7.6 270 276 A H - 0 0 54 -2,-0.4 -25,-1.9 -30,-0.1 -24,-0.5 -0.996 31.5-127.2-147.9 141.9 11.5 -29.7 9.6 271 277 A S - 0 0 85 -2,-0.3 -27,-0.3 -27,-0.2 -2,-0.0 -0.598 42.3 -92.2 -87.4 151.5 7.8 -29.0 9.2 272 278 A R - 0 0 143 -29,-0.2 -29,-0.2 -2,-0.2 -30,-0.1 -0.299 30.8-141.3 -62.0 140.2 6.5 -25.4 9.5 273 279 A K - 0 0 75 -31,-2.7 -1,-0.1 -3,-0.1 5,-0.0 -0.924 21.6-126.6-100.9 117.8 5.3 -24.2 12.9 274 280 A P > - 0 0 63 0, 0.0 3,-1.2 0, 0.0 4,-0.2 -0.251 19.8-117.9 -64.1 150.7 2.2 -22.0 12.7 275 281 A W G > S+ 0 0 12 1,-0.3 3,-1.4 2,-0.2 4,-0.4 0.746 106.3 66.4 -71.2 -21.3 2.5 -18.6 14.4 276 282 A L G > S+ 0 0 101 1,-0.3 3,-1.6 2,-0.2 -1,-0.3 0.812 85.2 72.8 -72.4 -17.8 -0.3 -19.1 17.0 277 283 A K G < S+ 0 0 129 -3,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.719 92.8 57.7 -66.8 -13.9 1.8 -21.8 18.7 278 284 A F G < S+ 0 0 22 -3,-1.4 -1,-0.3 -4,-0.2 -2,-0.2 0.671 84.6 105.5 -83.0 -18.8 3.9 -18.9 19.9 279 285 A M < + 0 0 79 -3,-1.6 2,-0.3 -4,-0.4 -58,-0.1 -0.352 45.8 146.5 -63.7 138.2 0.9 -17.3 21.6 280 286 A N >> - 0 0 71 -2,-0.1 3,-1.8 -59,-0.0 4,-1.2 -0.924 59.9 -70.4-157.9-174.9 0.8 -17.6 25.4 281 287 A A T 34 S+ 0 0 91 1,-0.3 4,-0.1 -2,-0.3 -2,-0.1 0.608 123.4 49.7 -64.7 -14.6 -0.2 -15.9 28.7 282 288 A D T 34 S+ 0 0 110 -61,-0.1 -1,-0.3 1,-0.1 -3,-0.0 0.477 123.5 29.2-102.3 6.4 2.5 -13.2 28.6 283 289 A N T X> S+ 0 0 0 -3,-1.8 3,-2.2 2,-0.1 4,-1.4 0.333 83.8 106.6-139.2 0.1 1.7 -12.1 25.0 284 290 A Q T 3< S+ 0 0 134 -4,-1.2 -3,-0.1 1,-0.3 -2,-0.1 0.754 77.9 58.9 -60.7 -26.9 -2.0 -12.9 24.7 285 291 A H T 34 S+ 0 0 123 1,-0.2 -1,-0.3 -4,-0.1 -161,-0.2 0.529 111.3 41.0 -79.6 -4.6 -2.8 -9.2 24.9 286 292 A L T <4 S+ 0 0 6 -3,-2.2 2,-0.7 -66,-0.2 -2,-0.2 0.579 90.6 91.0-117.1 -18.0 -0.7 -8.4 21.8 287 293 A V < + 0 0 20 -4,-1.4 -1,-0.1 -67,-0.1 -163,-0.0 -0.795 48.7 158.5 -89.9 116.7 -1.3 -11.2 19.4 288 294 A S > - 0 0 23 -2,-0.7 4,-2.4 -3,-0.0 5,-0.3 -0.875 54.3-106.8-126.4 156.2 -4.2 -10.5 17.0 289 295 A P H > S+ 0 0 114 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.845 121.3 50.9 -58.4 -29.6 -5.1 -12.0 13.6 290 296 A E H > S+ 0 0 80 2,-0.2 4,-2.2 1,-0.2 27,-0.2 0.873 108.0 51.3 -78.6 -35.4 -4.0 -8.7 11.9 291 297 A A H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.910 113.5 45.8 -58.8 -45.9 -0.6 -8.7 13.7 292 298 A I H X S+ 0 0 22 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.912 110.8 52.0 -68.4 -38.7 -0.0 -12.3 12.6 293 299 A D H X S+ 0 0 57 -4,-2.0 4,-1.2 -5,-0.3 -1,-0.2 0.936 112.0 46.4 -64.3 -41.6 -1.1 -11.7 9.0 294 300 A F H < S+ 0 0 0 -4,-2.2 4,-0.5 2,-0.2 3,-0.5 0.941 113.2 49.3 -65.0 -45.4 1.3 -8.7 8.7 295 301 A L H >X S+ 0 0 0 -4,-2.4 3,-2.4 1,-0.2 4,-2.0 0.954 106.5 56.2 -55.2 -55.5 4.2 -10.7 10.3 296 302 A D H 3< S+ 0 0 31 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.769 104.4 54.1 -46.8 -35.6 3.6 -13.7 8.0 297 303 A K T 3< S+ 0 0 74 -4,-1.2 10,-1.7 -3,-0.5 -1,-0.3 0.578 109.6 46.3 -87.6 -3.2 4.0 -11.4 5.0 298 304 A L T <4 S+ 0 0 0 -3,-2.4 2,-1.7 -4,-0.5 -2,-0.2 0.841 99.7 67.6 -96.4 -42.7 7.4 -10.1 6.1 299 305 A L < + 0 0 3 -4,-2.0 2,-0.3 -86,-0.1 -1,-0.2 -0.578 68.4 132.8 -86.4 82.5 9.1 -13.3 7.1 300 306 A R - 0 0 64 -2,-1.7 6,-0.1 -3,-0.1 5,-0.1 -0.973 56.4-134.9-127.1 147.2 9.5 -15.1 3.8 301 307 A Y S S+ 0 0 16 -2,-0.3 2,-0.9 1,-0.1 -106,-0.2 0.959 91.2 73.5 -62.5 -48.8 12.6 -16.9 2.4 302 308 A D >> - 0 0 21 1,-0.2 3,-2.8 -3,-0.1 4,-0.5 -0.581 70.0-157.8 -78.9 108.6 12.3 -15.4 -1.1 303 309 A H G >4 S+ 0 0 3 -2,-0.9 3,-0.9 1,-0.3 -1,-0.2 0.772 92.2 62.6 -50.9 -33.1 13.3 -11.8 -0.8 304 310 A Q G 34 S+ 0 0 57 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.617 101.6 53.6 -71.7 -11.2 11.3 -11.1 -3.9 305 311 A E G <4 S+ 0 0 101 -3,-2.8 -1,-0.2 2,-0.1 -2,-0.2 0.518 84.4 103.2-100.0 -13.6 8.1 -12.2 -2.1 306 312 A R S << S- 0 0 5 -3,-0.9 -8,-0.2 -4,-0.5 -9,-0.1 -0.296 82.1 -94.7 -70.8 153.1 8.3 -10.0 1.0 307 313 A L - 0 0 27 -10,-1.7 -1,-0.1 -13,-0.2 2,-0.1 -0.420 38.9-125.8 -54.8 143.0 6.1 -6.9 1.4 308 314 A T > - 0 0 29 1,-0.1 4,-2.0 -3,-0.1 5,-0.1 -0.397 26.8-107.6 -75.4 167.3 7.8 -3.6 0.3 309 315 A A H > S+ 0 0 2 2,-0.2 4,-1.7 1,-0.2 -170,-0.2 0.900 121.8 52.2 -59.8 -39.7 7.9 -0.8 2.9 310 316 A L H 4 S+ 0 0 92 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.957 110.4 45.7 -65.6 -48.3 5.3 1.0 0.8 311 317 A E H >4 S+ 0 0 86 1,-0.2 3,-1.3 2,-0.2 4,-0.3 0.903 108.6 58.3 -58.0 -38.7 2.9 -1.9 0.7 312 318 A A H >< S+ 0 0 0 -4,-2.0 3,-1.7 1,-0.3 6,-0.2 0.894 96.1 60.6 -66.4 -37.9 3.4 -2.6 4.4 313 319 A M T 3< S+ 0 0 28 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.664 103.3 54.3 -60.7 -15.4 2.2 0.9 5.5 314 320 A T T < S+ 0 0 93 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.2 0.505 78.0 119.6-100.2 1.4 -1.1 0.1 3.9 315 321 A H S X S- 0 0 13 -3,-1.7 3,-1.9 -4,-0.3 4,-0.1 -0.349 74.6-120.0 -66.4 141.9 -1.8 -3.2 5.7 316 322 A P G > S+ 0 0 63 0, 0.0 3,-2.0 0, 0.0 4,-0.3 0.697 105.3 80.9 -61.0 -14.2 -5.1 -3.1 7.8 317 323 A Y G 3 S+ 0 0 4 1,-0.3 3,-0.3 -27,-0.2 4,-0.2 0.873 98.5 42.7 -51.8 -38.2 -3.0 -3.8 10.9 318 324 A F G <> S+ 0 0 0 -3,-1.9 4,-2.2 -6,-0.2 -1,-0.3 0.090 79.2 115.5 -92.9 15.8 -2.2 -0.0 10.9 319 325 A Q H <> S+ 0 0 121 -3,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.912 77.5 46.8 -62.5 -41.3 -5.7 1.2 10.0 320 326 A Q H > S+ 0 0 109 -3,-0.3 4,-2.5 -4,-0.3 -1,-0.2 0.916 110.6 52.6 -63.8 -46.0 -6.2 3.1 13.3 321 327 A V H > S+ 0 0 3 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.891 111.2 47.5 -55.4 -43.1 -2.8 4.7 13.1 322 328 A R H < S+ 0 0 84 -4,-2.2 3,-0.4 2,-0.2 -1,-0.2 0.907 109.9 52.3 -66.6 -45.0 -3.5 6.0 9.6 323 329 A A H < S+ 0 0 80 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.928 105.7 53.3 -57.6 -49.1 -7.0 7.3 10.6 324 330 A A H < 0 0 83 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.816 360.0 360.0 -55.4 -29.5 -5.6 9.3 13.5 325 331 A E < 0 0 130 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.614 360.0 360.0 -82.9 360.0 -3.2 10.8 10.9