==== 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 08-MAY-02 1LPU . COMPND 2 MOLECULE: PROTEIN KINASE CK2; . SOURCE 2 ORGANISM_SCIENTIFIC: ZEA MAYS; . AUTHOR K.NIEFIND,M.PUETTER,B.GUERRA,O.-G.ISSINGER,D.SCHOMBURG . 327 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15572.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 224 68.5 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 . 26 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 98 30.0 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 2 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 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 7 A S 0 0 36 0, 0.0 178,-0.6 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 140.3 17.7 -10.7 -8.5 2 8 A K - 0 0 109 176,-0.1 2,-0.1 177,-0.1 202,-0.1 -0.968 360.0 -92.0-135.8 156.5 16.6 -7.1 -8.6 3 9 A A - 0 0 9 -2,-0.3 4,-0.2 200,-0.1 301,-0.1 -0.430 25.2-141.6 -60.1 141.3 14.5 -4.9 -6.4 4 10 A R S S+ 0 0 152 -2,-0.1 2,-0.3 2,-0.1 -1,-0.1 0.695 85.1 31.1 -80.0 -18.3 10.9 -4.9 -7.3 5 11 A V S S+ 0 0 56 1,-0.1 200,-0.2 2,-0.0 -1,-0.1 -0.952 120.8 12.0-136.7 156.6 10.6 -1.2 -6.5 6 12 A Y S > S+ 0 0 64 -2,-0.3 3,-1.1 1,-0.1 4,-0.3 0.726 75.0 140.5 53.4 24.4 13.0 1.9 -6.7 7 13 A A T 3 + 0 0 28 1,-0.2 3,-0.2 -4,-0.2 4,-0.2 0.811 69.3 45.5 -67.0 -28.3 15.4 -0.2 -8.7 8 14 A D T 3> S+ 0 0 85 1,-0.2 4,-2.7 2,-0.1 5,-0.3 0.298 77.7 106.1 -99.4 13.5 16.3 2.7 -11.0 9 15 A V H <> S+ 0 0 15 -3,-1.1 4,-1.2 1,-0.2 -1,-0.2 0.932 89.3 36.1 -59.9 -49.6 16.7 5.5 -8.4 10 16 A N H 4 S+ 0 0 6 166,-0.5 -1,-0.2 -4,-0.3 8,-0.2 0.658 113.5 60.7 -78.7 -15.5 20.5 5.6 -8.7 11 17 A V H 4 S+ 0 0 95 -4,-0.2 -2,-0.2 1,-0.1 -1,-0.2 0.895 110.5 39.4 -71.6 -44.1 20.3 4.9 -12.4 12 18 A L H < S+ 0 0 131 -4,-2.7 -2,-0.2 2,-0.1 -1,-0.1 0.721 104.3 80.4 -80.6 -22.6 18.3 8.1 -13.0 13 19 A R S < S- 0 0 81 -4,-1.2 5,-0.1 -5,-0.3 2,-0.0 -0.470 93.4 -86.5 -87.4 158.8 20.2 10.4 -10.6 14 20 A P >> - 0 0 77 0, 0.0 3,-3.0 0, 0.0 4,-0.6 -0.341 36.9-116.6 -60.9 142.0 23.5 12.2 -11.2 15 21 A K H >> S+ 0 0 126 1,-0.3 4,-2.6 2,-0.2 3,-0.5 0.787 113.9 68.8 -51.0 -28.9 26.6 10.1 -10.4 16 22 A E H 34 S+ 0 0 152 1,-0.2 -1,-0.3 2,-0.2 6,-0.1 0.764 90.5 63.3 -63.0 -23.0 27.4 12.7 -7.7 17 23 A Y H <4 S+ 0 0 26 -3,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.918 121.4 15.9 -65.1 -45.0 24.3 11.5 -5.8 18 24 A W H << S+ 0 0 67 -4,-0.6 2,-2.3 -3,-0.5 3,-0.2 0.513 96.7 96.4-109.2 -13.5 25.7 8.0 -5.2 19 25 A D >< + 0 0 39 -4,-2.6 3,-1.4 -5,-0.2 -1,-0.1 -0.519 47.3 168.2 -79.4 77.4 29.4 8.3 -6.0 20 26 A Y G > + 0 0 18 -2,-2.3 3,-1.6 1,-0.3 -1,-0.2 0.748 64.0 69.4 -68.4 -24.3 30.2 8.7 -2.3 21 27 A E G 3 S+ 0 0 98 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.721 92.8 60.2 -64.1 -21.0 34.0 8.3 -2.8 22 28 A A G < S+ 0 0 69 -3,-1.4 -1,-0.3 -6,-0.1 -2,-0.2 0.217 80.2 131.2 -88.6 11.7 34.1 11.6 -4.6 23 29 A L < - 0 0 23 -3,-1.6 2,-0.5 1,-0.0 50,-0.1 -0.415 44.9-158.6 -69.7 139.3 32.8 13.3 -1.5 24 30 A T - 0 0 105 -2,-0.1 2,-0.4 49,-0.1 -2,-0.1 -0.989 14.8-145.5-119.4 113.7 34.6 16.4 -0.3 25 31 A V - 0 0 27 -2,-0.5 2,-1.0 1,-0.0 48,-0.0 -0.717 3.0-150.0 -86.4 128.8 33.9 17.0 3.4 26 32 A Q - 0 0 147 -2,-0.4 68,-0.3 69,-0.0 2,-0.1 -0.850 25.6-141.5 -97.4 98.5 33.7 20.6 4.5 27 33 A W - 0 0 93 -2,-1.0 68,-0.2 1,-0.1 2,-0.0 -0.362 13.0-150.8 -66.2 139.1 34.9 20.3 8.1 28 34 A G - 0 0 32 66,-3.4 2,-0.7 -2,-0.1 68,-0.3 0.007 35.9 -70.9 -89.4-160.0 33.2 22.4 10.8 29 35 A E > - 0 0 82 1,-0.1 3,-2.0 66,-0.1 4,-0.2 -0.887 30.6-156.9-107.2 113.9 34.6 23.7 14.0 30 36 A Q G > S+ 0 0 61 -2,-0.7 3,-1.4 66,-0.3 -1,-0.1 0.795 92.1 62.8 -52.3 -33.8 35.3 21.1 16.7 31 37 A D G 3 S+ 0 0 118 1,-0.3 -1,-0.3 -3,-0.1 22,-0.1 0.641 83.9 75.6 -75.0 -12.0 35.1 23.7 19.4 32 38 A D G < S+ 0 0 45 -3,-2.0 21,-2.1 1,-0.1 22,-0.4 0.644 96.9 56.2 -67.9 -14.8 31.5 24.5 18.6 33 39 A Y E < -A 52 0A 33 -3,-1.4 2,-0.4 -4,-0.2 19,-0.2 -0.972 63.2-169.1-132.1 132.7 30.6 21.3 20.4 34 40 A E E -A 51 0A 116 17,-2.3 17,-1.9 -2,-0.4 2,-0.2 -0.954 25.4-121.4-123.7 131.4 31.2 20.0 23.9 35 41 A V E +A 50 0A 67 -2,-0.4 15,-0.3 15,-0.2 3,-0.1 -0.501 27.4 176.0 -70.4 135.9 30.6 16.5 25.2 36 42 A V E - 0 0 76 13,-3.2 2,-0.3 1,-0.3 14,-0.2 0.764 62.9 -25.7-107.5 -45.7 28.3 16.3 28.2 37 43 A R E -A 49 0A 133 12,-1.7 12,-2.9 0, 0.0 -1,-0.3 -0.948 62.8 -99.8-167.7 152.8 28.0 12.5 28.7 38 44 A K E +A 48 0A 104 -2,-0.3 10,-0.3 10,-0.3 3,-0.1 -0.555 35.6 169.7 -75.0 136.3 28.3 9.1 26.9 39 45 A V E - 0 0 62 8,-3.4 2,-0.3 1,-0.4 9,-0.2 0.444 58.8 -5.2-126.7 -4.2 25.0 7.6 25.9 40 46 A G E -A 47 0A 28 7,-1.5 7,-2.6 2,-0.0 -1,-0.4 -0.972 51.8-169.6-176.2 165.7 25.9 4.7 23.7 41 47 A R E +A 46 0A 179 -2,-0.3 2,-0.3 5,-0.3 5,-0.2 -0.972 5.7 172.1-164.2 159.9 28.6 2.8 21.9 42 48 A G - 0 0 34 3,-2.9 3,-0.5 -2,-0.3 -2,-0.0 -0.889 55.1 -75.7-153.8-175.7 29.2 0.1 19.3 43 49 A K S S+ 0 0 152 -2,-0.3 3,-0.1 1,-0.2 0, 0.0 0.770 129.4 37.4 -62.0 -27.3 32.0 -1.5 17.3 44 50 A Y S S- 0 0 92 1,-0.2 21,-2.4 20,-0.1 2,-0.3 0.556 123.2 -2.9-104.9 -8.2 32.2 1.5 15.0 45 51 A S E - B 0 64A 4 -3,-0.5 -3,-2.9 19,-0.2 2,-0.3 -0.992 50.4-123.3-169.3 168.5 31.6 4.5 17.3 46 52 A E E -AB 41 63A 56 17,-1.9 17,-2.6 -2,-0.3 2,-0.4 -0.962 27.0-150.0-124.1 148.7 30.8 6.1 20.7 47 53 A V E -AB 40 62A 36 -7,-2.6 -8,-3.4 -2,-0.3 -7,-1.5 -0.954 14.3-176.6-129.4 130.4 27.8 8.5 21.1 48 54 A F E -AB 38 61A 26 13,-2.4 13,-2.8 -2,-0.4 2,-0.4 -0.951 31.7-119.3-131.6 145.9 27.5 11.3 23.5 49 55 A E E +AB 37 60A 18 -12,-2.9 -13,-3.2 -2,-0.4 -12,-1.7 -0.697 49.4 177.5 -73.6 137.3 25.0 13.9 24.5 50 56 A G E -AB 35 59A 1 9,-2.4 9,-1.7 -2,-0.4 2,-0.4 -0.789 27.1-127.1-136.2 176.1 26.6 17.2 23.7 51 57 A I E -AB 34 58A 45 -17,-1.9 -17,-2.3 -2,-0.3 2,-0.8 -0.996 16.2-132.9-131.5 135.8 25.9 20.9 23.8 52 58 A N E >> -AB 33 57A 25 5,-2.6 4,-2.1 -2,-0.4 5,-0.5 -0.835 21.7-150.4 -85.6 109.4 26.3 23.4 20.9 53 59 A V T 45S+ 0 0 56 -21,-2.1 -1,-0.1 -2,-0.8 -20,-0.1 0.646 87.5 55.6 -58.3 -21.1 28.2 26.1 22.7 54 60 A N T 45S+ 0 0 97 -22,-0.4 -1,-0.2 1,-0.1 -21,-0.1 0.960 125.2 15.1 -77.0 -60.2 26.8 28.9 20.5 55 61 A N T 45S- 0 0 84 2,-0.1 -2,-0.2 3,-0.0 3,-0.1 0.486 94.9-130.1 -98.6 -1.8 23.0 28.4 21.0 56 62 A N T <5 + 0 0 113 -4,-2.1 2,-0.3 1,-0.2 -3,-0.2 0.782 57.2 146.6 59.1 28.7 23.4 26.2 24.0 57 63 A E E < -B 52 0A 129 -5,-0.5 -5,-2.6 1,-0.1 -1,-0.2 -0.702 52.9-107.5 -92.6 148.1 21.0 23.6 22.4 58 64 A K E +B 51 0A 114 -2,-0.3 51,-0.7 -7,-0.2 2,-0.3 -0.389 46.4 161.9 -68.3 151.3 21.5 19.9 23.0 59 65 A C E -BC 50 108A 4 -9,-1.7 -9,-2.4 49,-0.2 2,-0.4 -0.883 36.1-103.0-152.2-177.5 22.8 17.8 20.2 60 66 A I E -BC 49 107A 16 47,-2.8 47,-2.5 -2,-0.3 2,-0.6 -0.971 22.2-156.3-119.6 138.8 24.4 14.3 19.7 61 67 A I E -BC 48 106A 8 -13,-2.8 -13,-2.4 -2,-0.4 2,-0.8 -0.945 5.0-168.1-117.7 114.8 28.1 13.7 19.1 62 68 A K E -BC 47 105A 9 43,-3.0 43,-2.8 -2,-0.6 2,-0.6 -0.888 6.7-160.8-106.4 107.2 29.1 10.5 17.3 63 69 A I E -BC 46 104A 46 -17,-2.6 -17,-1.9 -2,-0.8 2,-0.3 -0.782 16.6-135.9 -90.9 120.7 32.8 10.0 17.6 64 70 A L E -B 45 0A 12 39,-2.4 -19,-0.2 -2,-0.6 3,-0.1 -0.560 7.7-134.6 -84.4 132.8 34.0 7.5 14.9 65 71 A K - 0 0 81 -21,-2.4 -1,-0.1 -2,-0.3 -22,-0.0 -0.468 53.4 -63.5 -76.1 159.0 36.4 4.8 15.7 66 72 A P S S+ 0 0 129 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.179 74.9 144.4 -51.5 121.3 39.2 4.3 13.2 67 73 A V - 0 0 53 -3,-0.1 5,-0.1 -23,-0.0 -3,-0.0 -0.980 53.3 -77.3-153.2 161.2 38.0 3.3 9.7 68 74 A K >> - 0 0 126 -2,-0.3 4,-1.4 1,-0.1 3,-0.9 -0.185 43.5-117.1 -56.6 142.5 38.9 3.8 6.0 69 75 A K H 3> S+ 0 0 124 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.808 111.5 67.8 -54.9 -28.0 37.8 7.1 4.6 70 76 A K H 3> S+ 0 0 77 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.932 100.5 45.6 -59.4 -46.3 35.5 5.2 2.2 71 77 A K H <> S+ 0 0 35 -3,-0.9 4,-2.0 1,-0.2 -1,-0.2 0.856 114.2 49.5 -66.2 -34.8 33.2 4.1 5.0 72 78 A I H X S+ 0 0 26 -4,-1.4 4,-2.2 2,-0.2 -2,-0.2 0.924 111.2 47.7 -70.3 -43.7 33.2 7.5 6.5 73 79 A K H X S+ 0 0 32 -4,-2.9 4,-2.5 2,-0.2 5,-0.2 0.865 109.1 56.7 -63.2 -36.6 32.3 9.2 3.3 74 80 A R H X S+ 0 0 30 -4,-2.1 4,-2.1 -5,-0.3 5,-0.2 0.949 108.5 44.4 -61.8 -49.3 29.6 6.6 2.7 75 81 A E H X S+ 0 0 9 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.916 114.0 51.1 -63.2 -41.9 27.8 7.4 6.0 76 82 A I H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.924 110.9 46.1 -61.4 -47.2 28.1 11.1 5.4 77 83 A K H X S+ 0 0 38 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.895 113.2 49.9 -62.4 -41.7 26.7 11.1 1.8 78 84 A I H X S+ 0 0 0 -4,-2.1 4,-2.0 -5,-0.2 5,-0.2 0.950 111.6 49.0 -64.2 -44.7 23.8 8.9 2.8 79 85 A L H X S+ 0 0 1 -4,-2.5 4,-1.2 -5,-0.2 12,-0.3 0.909 112.6 47.6 -61.6 -42.8 23.0 11.2 5.8 80 86 A Q H < S+ 0 0 85 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.875 112.2 49.2 -65.7 -37.3 23.1 14.2 3.6 81 87 A N H < S+ 0 0 29 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.833 117.4 40.9 -71.7 -29.0 20.9 12.6 0.9 82 88 A L H >< S+ 0 0 0 -4,-2.0 3,-2.6 -5,-0.2 -1,-0.2 0.585 82.7 128.2 -93.8 -11.3 18.3 11.5 3.5 83 89 A C T 3< S+ 0 0 46 -4,-1.2 7,-0.1 1,-0.3 6,-0.1 -0.174 75.4 22.9 -52.0 124.6 18.4 14.7 5.6 84 90 A G T 3 S+ 0 0 56 1,-0.3 -1,-0.3 4,-0.3 3,-0.1 0.220 91.1 132.4 101.8 -15.6 14.9 16.0 6.0 85 91 A G S X S- 0 0 8 -3,-2.6 3,-1.7 4,-0.1 -1,-0.3 -0.269 71.3 -79.5 -65.1 155.7 13.2 12.7 5.5 86 92 A P T 3 S- 0 0 55 0, 0.0 54,-0.2 0, 0.0 -1,-0.1 -0.402 110.3 -7.6 -62.8 124.3 10.5 11.4 7.9 87 93 A N T 3 S+ 0 0 20 1,-0.2 80,-2.5 -2,-0.2 2,-0.4 0.577 98.0 135.3 65.4 19.1 12.0 10.0 11.0 88 94 A I B < -e 167 0B 7 -3,-1.7 -4,-0.3 78,-0.2 -1,-0.2 -0.808 62.5-109.4 -95.9 132.3 15.5 10.1 9.7 89 95 A V - 0 0 6 78,-1.4 2,-0.7 -2,-0.4 -4,-0.1 -0.271 34.3-123.6 -52.2 140.4 18.2 11.5 12.1 90 96 A K - 0 0 75 18,-0.1 18,-1.8 -7,-0.1 2,-0.5 -0.829 12.2-147.2-101.1 113.1 19.5 14.9 11.0 91 97 A L E +D 107 0A 18 -2,-0.7 16,-0.3 -12,-0.3 3,-0.1 -0.695 22.9 172.9 -73.5 120.5 23.2 15.3 10.4 92 98 A L E - 0 0 95 14,-3.5 2,-0.3 -2,-0.5 15,-0.2 0.721 55.6 -8.6-102.8 -29.0 24.1 18.9 11.4 93 99 A D E -D 106 0A 36 13,-1.6 13,-3.0 -65,-0.1 2,-0.4 -0.973 50.0-142.6-166.2 162.5 27.9 19.2 11.2 94 100 A I E +D 105 0A 11 -68,-0.3 -66,-3.4 -2,-0.3 2,-0.3 -0.992 26.3 171.2-138.9 127.3 31.0 17.2 10.7 95 101 A V E -D 104 0A 7 9,-2.5 9,-3.0 -2,-0.4 2,-0.3 -0.896 15.2-155.0-136.8 162.0 34.2 17.9 12.6 96 102 A R E -D 103 0A 89 -68,-0.3 2,-0.5 -2,-0.3 -66,-0.3 -0.982 23.4-116.6-138.0 152.1 37.7 16.4 13.1 97 103 A D > - 0 0 68 5,-1.8 4,-2.9 -2,-0.3 5,-0.3 -0.763 26.3-137.4 -86.4 128.1 40.3 16.6 15.8 98 104 A Q T 4 S+ 0 0 139 -2,-0.5 -1,-0.1 2,-0.2 0, 0.0 0.952 94.6 37.2 -48.7 -68.8 43.5 18.2 14.4 99 105 A H T 4 S+ 0 0 188 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.911 133.2 25.2 -54.6 -52.8 46.2 15.9 15.9 100 106 A S T 4 S- 0 0 66 2,-0.1 -1,-0.2 0, 0.0 -2,-0.2 0.793 90.9-141.1 -83.6 -30.5 44.4 12.6 15.7 101 107 A K < + 0 0 97 -4,-2.9 -3,-0.2 1,-0.3 -2,-0.1 0.832 39.1 166.7 63.5 34.3 42.1 13.6 12.8 102 108 A T - 0 0 54 -5,-0.3 -5,-1.8 -36,-0.1 -1,-0.3 -0.732 28.7-137.4 -75.9 121.7 39.3 11.6 14.6 103 109 A P E - D 0 96A 15 0, 0.0 -39,-2.4 0, 0.0 2,-0.4 -0.566 17.8-166.7 -83.8 145.7 36.1 12.6 12.9 104 110 A S E -CD 63 95A 17 -9,-3.0 -9,-2.5 -41,-0.2 2,-0.5 -0.999 10.7-146.4-128.4 135.6 32.8 13.3 14.8 105 111 A L E -CD 62 94A 0 -43,-2.8 -43,-3.0 -2,-0.4 2,-0.5 -0.859 13.4-149.3-100.5 132.8 29.3 13.6 13.3 106 112 A I E +CD 61 93A 2 -13,-3.0 -14,-3.5 -2,-0.5 -13,-1.6 -0.906 20.2 177.6-107.4 126.4 27.0 16.0 14.9 107 113 A F E -CD 60 91A 11 -47,-2.5 -47,-2.8 -2,-0.5 -16,-0.2 -0.801 39.0 -88.5-121.0 160.8 23.3 15.3 15.0 108 114 A E E -C 59 0A 47 -18,-1.8 -49,-0.2 -2,-0.3 2,-0.1 -0.375 63.6 -92.1 -59.4 146.2 20.1 16.9 16.2 109 115 A Y - 0 0 53 -51,-0.7 2,-0.4 -50,-0.1 -1,-0.1 -0.414 40.7-166.5 -68.4 141.1 19.5 15.6 19.8 110 116 A V - 0 0 18 -2,-0.1 2,-0.8 -51,-0.1 48,-0.1 -0.999 9.3-151.9-131.7 129.8 17.4 12.5 20.1 111 117 A N - 0 0 83 -2,-0.4 2,-0.1 46,-0.1 -2,-0.0 -0.696 26.3-177.9-114.0 83.2 16.0 11.6 23.6 112 118 A N - 0 0 67 -2,-0.8 2,-0.5 47,-0.1 47,-0.2 -0.336 24.6-139.2 -88.1 151.5 15.6 7.7 23.7 113 119 A T - 0 0 60 45,-2.0 45,-0.3 -2,-0.1 5,-0.1 -0.936 41.7 -96.9-107.2 128.7 14.3 5.1 26.2 114 120 A D >> - 0 0 84 -2,-0.5 4,-2.7 1,-0.2 3,-1.8 -0.069 30.7-141.5 -42.7 117.3 16.1 1.8 26.5 115 121 A F H 3> S+ 0 0 11 1,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.831 96.9 64.7 -57.3 -30.5 14.1 -0.6 24.3 116 122 A K H 34 S+ 0 0 120 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.762 114.3 31.4 -67.1 -25.1 14.5 -3.4 26.8 117 123 A V H <4 S+ 0 0 94 -3,-1.8 4,-0.4 2,-0.1 -2,-0.2 0.739 120.3 52.5 -98.0 -35.5 12.5 -1.5 29.3 118 124 A L H >< S+ 0 0 6 -4,-2.7 3,-1.7 1,-0.2 4,-0.4 0.938 100.5 59.2 -66.0 -47.8 10.2 0.4 26.8 119 125 A Y G >< S+ 0 0 26 -4,-2.8 3,-1.9 1,-0.3 -1,-0.2 0.865 96.6 58.6 -57.1 -47.2 9.0 -2.6 24.8 120 126 A P G 3 S+ 0 0 74 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.677 109.5 46.9 -53.5 -20.6 7.3 -4.5 27.7 121 127 A T G < S+ 0 0 84 -3,-1.7 -2,-0.2 -4,-0.4 2,-0.2 0.428 83.7 116.3-101.4 -5.1 5.1 -1.6 28.4 122 128 A L < - 0 0 1 -3,-1.9 2,-0.2 -4,-0.4 -3,-0.0 -0.454 59.3-137.1 -68.9 135.5 4.0 -0.9 24.8 123 129 A T > - 0 0 68 -2,-0.2 4,-2.4 1,-0.1 3,-0.3 -0.490 29.7-101.7 -83.0 164.8 0.3 -1.3 24.1 124 130 A D H > S+ 0 0 39 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.916 125.9 50.5 -54.6 -38.4 -0.9 -3.0 21.0 125 131 A Y H > S+ 0 0 65 1,-0.2 4,-2.7 2,-0.2 -1,-0.3 0.860 106.0 53.5 -68.3 -39.8 -1.6 0.4 19.6 126 132 A D H > S+ 0 0 11 -3,-0.3 4,-2.8 2,-0.2 5,-0.3 0.871 108.1 52.2 -59.1 -40.4 1.8 1.8 20.4 127 133 A I H X S+ 0 0 2 -4,-2.4 4,-2.9 2,-0.2 5,-0.3 0.988 111.1 45.8 -60.7 -53.4 3.3 -1.2 18.6 128 134 A R H X S+ 0 0 37 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.905 115.9 48.3 -54.0 -45.7 1.2 -0.5 15.5 129 135 A Y H X S+ 0 0 50 -4,-2.7 4,-2.3 -5,-0.2 -1,-0.2 0.945 113.0 43.4 -61.9 -52.1 2.1 3.2 15.7 130 136 A Y H X S+ 0 0 3 -4,-2.8 4,-2.2 2,-0.2 5,-0.2 0.889 112.9 53.0 -67.2 -38.0 5.9 2.9 16.2 131 137 A I H X S+ 0 0 2 -4,-2.9 4,-2.8 -5,-0.3 -1,-0.2 0.942 109.1 50.4 -62.8 -42.6 6.2 0.2 13.5 132 138 A Y H X S+ 0 0 21 -4,-2.0 4,-1.7 -5,-0.3 -2,-0.2 0.933 108.9 51.1 -60.6 -40.3 4.3 2.6 11.1 133 139 A E H X S+ 0 0 17 -4,-2.3 4,-1.2 1,-0.2 -1,-0.2 0.904 110.3 49.3 -66.6 -37.6 6.7 5.4 12.0 134 140 A L H X S+ 0 0 1 -4,-2.2 4,-2.1 1,-0.2 3,-0.3 0.919 106.5 56.8 -65.5 -41.2 9.7 3.2 11.3 135 141 A L H X S+ 0 0 0 -4,-2.8 4,-3.0 1,-0.2 5,-0.3 0.863 100.7 57.5 -55.5 -39.4 8.1 2.2 8.0 136 142 A K H X S+ 0 0 40 -4,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.898 107.3 48.2 -59.6 -40.3 8.0 5.8 6.9 137 143 A A H X S+ 0 0 0 -4,-1.2 4,-2.5 -3,-0.3 -2,-0.2 0.898 113.8 46.5 -66.2 -40.1 11.7 6.0 7.4 138 144 A L H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 5,-0.3 0.907 111.1 49.9 -73.2 -42.9 12.4 2.8 5.4 139 145 A D H X S+ 0 0 27 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.909 112.8 50.2 -60.2 -40.8 10.1 3.7 2.5 140 146 A Y H X S+ 0 0 58 -4,-1.9 4,-0.9 -5,-0.3 -2,-0.2 0.964 112.6 43.1 -62.3 -50.3 11.8 7.1 2.4 141 147 A C H ><>S+ 0 0 0 -4,-2.5 5,-2.6 1,-0.2 3,-0.9 0.924 115.1 49.0 -67.3 -39.8 15.4 5.8 2.3 142 148 A H H ><5S+ 0 0 6 -4,-2.6 3,-2.2 1,-0.3 -1,-0.2 0.917 108.4 55.6 -60.7 -43.8 14.6 3.0 -0.2 143 149 A S H 3<5S+ 0 0 20 -4,-2.1 -1,-0.3 -5,-0.3 -2,-0.2 0.706 105.7 52.0 -62.6 -20.2 12.9 5.6 -2.3 144 150 A Q T <<5S- 0 0 30 -3,-0.9 -1,-0.3 -4,-0.9 -2,-0.2 0.083 128.5-101.3-103.0 17.5 16.1 7.6 -2.3 145 151 A G T < 5S+ 0 0 0 -3,-2.2 31,-2.7 1,-0.2 2,-0.4 0.740 81.6 124.6 73.8 27.6 18.0 4.5 -3.4 146 152 A I E < -G 175 0C 0 -5,-2.6 2,-0.4 29,-0.2 29,-0.2 -0.972 45.7-156.9-127.5 140.2 19.4 3.4 -0.1 147 153 A M E -G 174 0C 0 27,-2.9 27,-1.9 -2,-0.4 58,-0.1 -0.882 9.1-153.9-106.6 132.5 19.3 0.3 2.1 148 154 A H - 0 0 0 -2,-0.4 24,-0.2 25,-0.2 39,-0.2 0.942 15.8-170.2 -70.7 -45.8 19.8 0.7 5.8 149 155 A R + 0 0 8 56,-0.1 38,-0.9 24,-0.1 -1,-0.1 0.559 68.5 65.7 64.5 15.0 21.2 -2.8 6.4 150 156 A D + 0 0 13 37,-0.2 2,-0.4 36,-0.1 5,-0.1 -0.087 58.6 159.4-153.5 42.8 21.1 -2.6 10.2 151 157 A V + 0 0 0 40,-0.1 37,-0.2 3,-0.1 64,-0.1 -0.589 22.0 128.6 -68.5 126.5 17.6 -2.3 11.3 152 158 A K S > S- 0 0 46 -2,-0.4 3,-1.9 1,-0.1 4,-0.2 -0.942 72.2 -93.8-167.5 161.3 17.3 -3.4 14.9 153 159 A P G > S+ 0 0 6 0, 0.0 3,-2.1 0, 0.0 -38,-0.1 0.893 121.1 61.6 -51.8 -40.9 15.8 -2.0 18.2 154 160 A H G 3 S+ 0 0 113 1,-0.3 -3,-0.1 -3,-0.1 3,-0.0 0.751 106.0 47.0 -59.8 -21.2 19.1 -0.5 19.1 155 161 A N G < S+ 0 0 9 -3,-1.9 13,-2.8 1,-0.1 2,-0.6 0.290 97.7 77.3-105.0 13.2 19.0 1.6 16.0 156 162 A V E < -F 167 0B 5 -3,-2.1 2,-0.5 11,-0.2 11,-0.2 -0.938 69.8-160.3-120.4 104.3 15.4 2.8 16.4 157 163 A M E -F 166 0B 33 9,-2.8 9,-2.3 -2,-0.6 2,-0.4 -0.779 7.9-167.0 -93.5 127.9 15.4 5.5 19.1 158 164 A I E -F 165 0B 2 -2,-0.5 -45,-2.0 -45,-0.3 2,-0.9 -0.962 20.9-162.8-122.0 124.6 12.0 6.2 20.7 159 165 A D E >> -F 164 0B 20 5,-2.6 5,-1.4 -2,-0.4 4,-1.2 -0.876 16.4-172.0 -97.6 93.6 10.9 9.1 22.9 160 166 A H T 45S+ 0 0 49 -2,-0.9 -1,-0.2 2,-0.2 -48,-0.1 0.837 80.1 54.0 -64.4 -33.4 7.8 7.4 24.4 161 167 A E T 45S+ 0 0 167 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.950 121.2 30.6 -61.1 -51.0 6.6 10.6 26.1 162 168 A L T 45S- 0 0 112 2,-0.1 -2,-0.2 0, 0.0 -1,-0.2 0.447 102.0-133.5 -87.9 -4.2 6.7 12.6 22.8 163 169 A R T <5 + 0 0 91 -4,-1.2 2,-0.4 1,-0.2 -3,-0.2 0.874 54.9 147.6 50.8 42.1 5.9 9.5 20.7 164 170 A K E < - F 0 159B 96 -5,-1.4 -5,-2.6 2,-0.0 2,-0.4 -0.888 29.7-163.6-111.3 137.4 8.8 10.4 18.3 165 171 A L E - F 0 158B 2 -2,-0.4 2,-0.4 -7,-0.2 -7,-0.2 -0.955 6.6-173.6-125.8 141.5 10.9 7.9 16.5 166 172 A R E - F 0 157B 35 -9,-2.3 -9,-2.8 -2,-0.4 2,-0.7 -0.999 19.1-142.1-137.7 132.8 14.2 8.1 14.7 167 173 A L E -eF 88 156B 0 -80,-2.5 -78,-1.4 -2,-0.4 -11,-0.2 -0.870 37.4-178.5 -90.2 117.7 16.1 5.6 12.6 168 174 A I + 0 0 32 -13,-2.8 -13,-0.0 -2,-0.7 -80,-0.0 -0.532 36.9 50.2-116.9 177.1 19.7 6.0 13.4 169 175 A D > - 0 0 42 -2,-0.2 3,-0.5 1,-0.1 -1,-0.1 0.983 41.5-179.7 55.3 78.5 23.2 4.7 12.6 170 176 A W G > + 0 0 1 1,-0.2 3,-1.1 2,-0.1 -1,-0.1 0.198 49.0 114.2 -85.3 16.7 23.5 4.8 8.8 171 177 A G G 3 S+ 0 0 1 1,-0.3 -1,-0.2 -21,-0.1 -96,-0.1 0.646 80.8 39.0 -66.6 -18.4 27.1 3.4 9.1 172 178 A L G < S+ 0 0 27 -3,-0.5 -1,-0.3 -24,-0.2 -2,-0.1 0.452 91.7 118.9-108.3 -0.4 26.2 0.1 7.4 173 179 A A < - 0 0 0 -3,-1.1 2,-0.3 -23,-0.1 -25,-0.2 -0.186 41.3-170.0 -71.7 151.5 23.9 1.6 4.8 174 180 A E E -G 147 0C 11 -27,-1.9 -27,-2.9 -96,-0.0 2,-0.4 -0.934 26.4-105.9-141.1 159.5 24.5 1.3 1.1 175 181 A F E -G 146 0C 0 -2,-0.3 2,-0.5 -29,-0.2 -29,-0.2 -0.755 37.5-125.2 -81.1 136.8 23.3 2.6 -2.2 176 182 A Y + 0 0 2 -31,-2.7 -166,-0.5 -2,-0.4 28,-0.1 -0.745 32.0 172.0 -89.5 126.8 21.2 0.2 -4.3 177 183 A H > - 0 0 36 -2,-0.5 3,-2.2 -167,-0.1 -169,-0.1 -0.999 41.6-103.9-133.0 125.3 22.4 -0.6 -7.9 178 184 A P T 3 S+ 0 0 49 0, 0.0 -176,-0.1 0, 0.0 3,-0.1 -0.255 102.9 9.2 -53.7 130.3 20.7 -3.3 -9.9 179 185 A G T 3 S+ 0 0 37 -178,-0.6 2,-0.1 1,-0.3 -177,-0.1 0.279 90.2 142.4 83.5 -7.8 22.8 -6.4 -10.1 180 186 A K < - 0 0 84 -3,-2.2 2,-0.8 23,-0.1 -1,-0.3 -0.384 48.4-134.4 -69.1 139.1 25.4 -5.3 -7.6 181 187 A E - 0 0 138 21,-0.1 21,-0.2 -3,-0.1 2,-0.2 -0.852 27.6-162.9 -96.4 115.0 26.9 -7.9 -5.3 182 188 A Y - 0 0 7 19,-2.7 2,-0.3 -2,-0.8 21,-0.0 -0.520 27.5 -93.7 -95.1 161.9 27.0 -6.6 -1.8 183 189 A N - 0 0 76 -2,-0.2 -1,-0.1 1,-0.1 13,-0.0 -0.557 27.4-152.8 -66.8 131.0 28.9 -7.7 1.3 184 190 A V S S+ 0 0 13 -2,-0.3 2,-2.0 1,-0.2 -1,-0.1 0.549 74.0 95.5 -87.7 -4.0 26.7 -10.1 3.3 185 191 A R + 0 0 171 7,-0.0 2,-0.3 3,-0.0 -1,-0.2 -0.423 64.1 107.7 -86.7 67.3 28.4 -9.2 6.6 186 192 A V + 0 0 6 -2,-2.0 -36,-0.1 2,-0.1 -37,-0.1 -0.811 51.1 32.9-135.3 171.1 25.9 -6.5 7.5 187 193 A A S S- 0 0 13 -38,-0.9 2,-0.3 -2,-0.3 -37,-0.2 0.299 93.9 -64.9 61.7 163.4 23.1 -6.2 10.1 188 194 A S >> - 0 0 28 -37,-0.2 3,-2.4 1,-0.1 4,-0.7 -0.632 52.6-110.9 -79.9 141.4 23.1 -7.7 13.6 189 195 A R G >4 S+ 0 0 78 1,-0.3 3,-1.2 -2,-0.3 -1,-0.1 0.834 116.5 52.1 -39.7 -47.8 23.0 -11.5 13.6 190 196 A Y G 34 S+ 0 0 51 1,-0.3 37,-0.4 39,-0.1 -1,-0.3 0.673 115.0 42.9 -69.1 -17.0 19.4 -11.8 14.9 191 197 A F G <4 S+ 0 0 8 -3,-2.4 2,-0.3 35,-0.1 -1,-0.3 0.299 83.5 121.0-109.9 3.3 18.2 -9.4 12.2 192 198 A K << - 0 0 19 -3,-1.2 -5,-0.1 -4,-0.7 16,-0.0 -0.522 60.2-130.0 -69.7 129.2 20.1 -10.8 9.3 193 199 A G >> - 0 0 0 -2,-0.3 3,-1.6 1,-0.1 4,-1.5 -0.431 24.9-104.9 -73.0 156.0 17.8 -12.1 6.5 194 200 A P H 3> S+ 0 0 0 0, 0.0 4,-1.6 0, 0.0 6,-0.2 0.820 118.7 66.0 -47.3 -37.3 18.2 -15.5 5.0 195 201 A E H 34>S+ 0 0 0 1,-0.2 5,-3.0 106,-0.2 3,-0.2 0.866 104.1 45.1 -57.5 -35.9 19.8 -13.9 1.9 196 202 A L H X45S+ 0 0 8 -3,-1.6 3,-0.9 1,-0.2 -1,-0.2 0.894 112.6 51.2 -73.1 -36.2 22.7 -12.9 4.1 197 203 A L H 3<5S+ 0 0 16 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.633 113.4 43.5 -78.6 -16.1 22.9 -16.3 5.7 198 204 A V T 3<5S- 0 0 7 -4,-1.6 -1,-0.2 -3,-0.2 -2,-0.2 0.192 115.4-107.9-113.5 15.3 23.0 -18.2 2.4 199 205 A D T < 5 + 0 0 111 -3,-0.9 2,-1.0 1,-0.2 -3,-0.2 0.804 61.1 156.6 65.4 33.9 25.5 -15.9 0.6 200 206 A L < + 0 0 7 -5,-3.0 -1,-0.2 -6,-0.2 3,-0.2 -0.810 14.6 177.7 -89.5 104.8 23.0 -14.3 -1.8 201 207 A Q + 0 0 71 -2,-1.0 -19,-2.7 1,-0.2 2,-1.5 0.694 60.1 74.6 -87.3 -21.4 24.8 -11.1 -2.5 202 208 A D S S+ 0 0 47 -21,-0.2 -1,-0.2 -7,-0.1 -21,-0.1 -0.356 71.3 142.3 -92.8 59.6 22.6 -9.4 -5.0 203 209 A Y - 0 0 0 -2,-1.5 2,-0.2 -3,-0.2 -200,-0.1 -0.249 27.5-170.6 -89.9-177.9 20.1 -8.4 -2.3 204 210 A D > - 0 0 8 -202,-0.1 3,-2.5 -2,-0.1 4,-0.4 -0.717 47.1 -43.3-153.8-164.3 18.2 -5.2 -2.0 205 211 A Y T >> S+ 0 0 6 1,-0.3 3,-1.5 -2,-0.2 4,-0.6 0.762 116.1 75.8 -48.0 -33.1 15.9 -3.0 0.0 206 212 A S H >> S+ 0 0 12 1,-0.3 4,-1.4 2,-0.2 3,-0.5 0.723 78.2 73.7 -56.9 -24.0 13.8 -6.0 1.0 207 213 A L H <> S+ 0 0 0 -3,-2.5 4,-1.8 1,-0.2 3,-0.4 0.915 93.2 54.4 -52.0 -44.0 16.6 -7.1 3.4 208 214 A D H <> S+ 0 0 0 -3,-1.5 4,-2.6 -4,-0.4 -1,-0.2 0.799 102.3 58.9 -62.8 -27.0 15.4 -4.2 5.7 209 215 A M H S+ 0 0 7 -4,-2.2 5,-2.2 -5,-0.2 4,-0.8 0.929 111.1 45.2 -55.9 -48.5 9.9 -9.7 18.9 219 225 A M H <5S+ 0 0 12 -4,-2.2 -2,-0.2 3,-0.2 3,-0.2 0.907 116.4 41.3 -66.4 -48.2 7.4 -7.0 20.0 220 226 A I H <5S+ 0 0 0 -4,-2.6 66,-0.3 1,-0.2 -1,-0.2 0.805 123.8 38.0 -73.8 -28.9 4.1 -8.9 19.5 221 227 A F H <5S- 0 0 1 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.447 104.7-128.7 -97.5 -2.6 5.4 -12.2 20.9 222 228 A R T <5 + 0 0 66 -4,-0.8 -3,-0.2 -3,-0.2 -4,-0.1 0.976 64.6 133.3 52.0 65.5 7.4 -10.4 23.6 223 229 A K < - 0 0 81 -5,-2.2 -1,-0.1 -6,-0.1 -4,-0.1 -0.508 50.7-135.8-149.9 72.1 10.5 -12.4 22.7 224 230 A E S S+ 0 0 79 -6,-0.1 2,-0.1 -2,-0.1 -9,-0.0 -0.654 89.9 7.1 -94.2 123.2 13.7 -10.4 22.3 225 231 A P S S- 0 0 15 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.784 78.8-154.1 -89.5 172.4 15.1 -11.2 20.0 226 232 A F S S+ 0 0 10 -12,-0.4 2,-0.8 1,-0.2 -2,-0.1 0.907 88.7 40.9 -70.5 -46.1 12.8 -13.5 18.2 227 233 A F S S- 0 0 4 -37,-0.4 2,-1.0 2,-0.0 -1,-0.2 -0.877 76.1-172.9-106.4 99.0 15.4 -15.6 16.2 228 234 A Y + 0 0 120 -2,-0.8 2,-0.2 -3,-0.2 -38,-0.0 -0.681 12.1 167.2-101.3 82.4 18.2 -16.1 18.8 229 235 A G - 0 0 0 -2,-1.0 6,-0.1 1,-0.1 -39,-0.1 -0.628 32.9-147.2 -91.8 150.9 21.2 -17.7 17.0 230 236 A H S S+ 0 0 132 -2,-0.2 2,-0.3 1,-0.1 -1,-0.1 0.753 83.4 1.6 -90.0 -28.1 24.7 -18.0 18.5 231 237 A D S > S- 0 0 87 -42,-0.1 4,-2.1 1,-0.0 -1,-0.1 -0.876 92.3 -84.7-142.7-179.8 26.5 -17.7 15.2 232 238 A N H > S+ 0 0 71 -2,-0.3 4,-1.6 1,-0.2 5,-0.1 0.873 127.1 48.1 -59.7 -38.6 25.5 -17.2 11.6 233 239 A H H > S+ 0 0 60 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.928 111.4 49.3 -67.0 -44.9 24.9 -20.8 11.0 234 240 A D H > S+ 0 0 36 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.849 104.8 62.9 -61.2 -31.8 22.8 -21.2 14.1 235 241 A Q H X S+ 0 0 0 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.951 105.4 42.7 -60.0 -48.1 20.9 -18.1 12.9 236 242 A L H X S+ 0 0 0 -4,-1.6 4,-3.1 2,-0.2 -1,-0.2 0.881 111.3 56.3 -65.4 -39.3 19.7 -19.9 9.8 237 243 A V H X S+ 0 0 10 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.947 107.7 47.8 -55.1 -49.7 18.9 -23.1 11.8 238 244 A K H < S+ 0 0 59 -4,-2.6 -1,-0.2 2,-0.2 4,-0.2 0.844 113.0 48.5 -63.8 -35.3 16.6 -21.1 14.2 239 245 A I H >X S+ 0 0 0 -4,-1.7 4,-2.8 -5,-0.2 3,-1.8 0.939 110.9 51.1 -66.1 -48.5 14.9 -19.5 11.2 240 246 A A H 3X S+ 0 0 0 -4,-3.1 4,-2.3 1,-0.3 -2,-0.2 0.864 102.0 60.5 -58.1 -37.2 14.5 -22.9 9.6 241 247 A K H 3< S+ 0 0 102 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.578 116.4 33.3 -70.0 -9.3 12.9 -24.4 12.8 242 248 A V H <4 S+ 0 0 17 -3,-1.8 31,-3.0 -4,-0.2 -2,-0.2 0.768 126.4 35.3-106.7 -51.8 10.2 -21.8 12.5 243 249 A L H < S- 0 0 14 -4,-2.8 4,-0.3 29,-0.2 29,-0.2 0.754 108.2-121.9 -75.4 -26.9 9.6 -21.3 8.8 244 250 A G X - 0 0 2 -4,-2.3 4,-0.7 -5,-0.4 27,-0.2 0.105 12.5-103.3 95.8 151.3 10.3 -24.9 7.8 245 251 A T H > S+ 0 0 2 25,-2.2 4,-3.0 2,-0.2 5,-0.2 0.667 108.5 74.9 -85.7 -16.0 12.9 -26.3 5.4 246 252 A D H > S+ 0 0 125 24,-0.5 4,-2.4 1,-0.2 -1,-0.2 0.979 102.5 40.7 -56.8 -56.9 10.5 -26.9 2.5 247 253 A G H > S+ 0 0 33 -4,-0.3 4,-2.7 1,-0.2 -1,-0.2 0.804 111.9 58.7 -59.2 -33.6 10.3 -23.2 1.8 248 254 A L H X S+ 0 0 1 -4,-0.7 4,-3.1 2,-0.2 5,-0.2 0.974 108.8 42.6 -61.2 -54.5 14.0 -22.9 2.4 249 255 A N H X S+ 0 0 37 -4,-3.0 4,-2.7 2,-0.2 5,-0.2 0.900 112.3 54.0 -62.1 -38.0 14.8 -25.4 -0.4 250 256 A V H X S+ 0 0 100 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.959 113.0 45.2 -55.1 -50.8 12.2 -23.8 -2.7 251 257 A Y H X S+ 0 0 3 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.925 112.8 49.0 -56.8 -51.7 14.0 -20.5 -2.1 252 258 A L H <>S+ 0 0 5 -4,-3.1 5,-3.4 1,-0.2 -1,-0.2 0.870 113.1 48.0 -59.4 -38.1 17.5 -22.1 -2.6 253 259 A N H ><5S+ 0 0 122 -4,-2.7 3,-0.9 3,-0.2 -2,-0.2 0.911 108.0 54.3 -72.2 -39.9 16.4 -23.7 -5.8 254 260 A K H 3<5S+ 0 0 108 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.882 118.6 34.0 -58.4 -45.0 14.8 -20.6 -7.2 255 261 A Y T 3<5S- 0 0 39 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.249 111.5-120.5 -97.1 10.2 18.0 -18.6 -6.8 256 262 A R T < 5 + 0 0 225 -3,-0.9 2,-0.4 1,-0.2 -3,-0.2 0.907 55.2 159.1 53.8 47.3 20.2 -21.5 -7.5 257 263 A I < - 0 0 28 -5,-3.4 2,-0.5 -6,-0.2 -1,-0.2 -0.868 29.5-156.3-102.4 136.1 22.0 -21.5 -4.1 258 264 A E - 0 0 181 -2,-0.4 2,-0.1 -60,-0.1 -5,-0.0 -0.947 18.5-135.2-105.0 128.9 23.8 -24.5 -2.7 259 265 A L - 0 0 19 -2,-0.5 -61,-0.1 1,-0.1 -60,-0.0 -0.389 31.1 -93.7 -76.1 158.9 24.2 -24.5 1.0 260 266 A D > - 0 0 64 1,-0.1 4,-3.7 -2,-0.1 5,-0.2 -0.566 36.0-124.8 -66.8 134.0 27.5 -25.4 2.6 261 267 A P H > S+ 0 0 102 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.888 112.4 51.2 -50.4 -42.3 27.2 -29.1 3.4 262 268 A Q H > S+ 0 0 121 2,-0.2 4,-2.1 1,-0.2 3,-0.2 0.960 114.1 43.0 -58.1 -53.3 28.1 -28.4 7.1 263 269 A L H > S+ 0 0 7 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.909 109.8 58.0 -58.1 -45.6 25.3 -25.7 7.2 264 270 A E H X S+ 0 0 99 -4,-3.7 4,-2.1 1,-0.2 -1,-0.2 0.886 109.3 45.1 -52.9 -41.3 22.9 -28.0 5.3 265 271 A A H < S+ 0 0 77 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.852 109.8 52.7 -76.3 -35.5 23.3 -30.6 8.0 266 272 A L H < S+ 0 0 94 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.940 111.5 48.8 -61.1 -44.2 23.0 -28.2 10.9 267 273 A V H < S+ 0 0 2 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.939 86.5 163.6 -62.6 -47.2 19.7 -27.0 9.4 268 274 A G < - 0 0 25 -4,-2.1 2,-0.4 -5,-0.2 -1,-0.2 -0.426 48.4 -46.9 69.4-135.5 18.4 -30.5 8.8 269 275 A R + 0 0 141 -2,-0.2 2,-0.3 -4,-0.1 -28,-0.0 -0.995 59.9 164.0-141.8 137.2 14.7 -30.9 8.1 270 276 A H - 0 0 52 -2,-0.4 -25,-2.2 -30,-0.1 -24,-0.5 -0.981 32.4-121.3-156.1 142.8 11.9 -29.3 10.0 271 277 A S - 0 0 80 -2,-0.3 -27,-0.3 -27,-0.2 2,-0.2 -0.473 43.8 -94.0 -80.7 158.8 8.2 -28.7 9.4 272 278 A R - 0 0 117 -29,-0.2 -29,-0.2 -2,-0.1 -28,-0.1 -0.507 35.4-141.9 -72.2 140.4 6.8 -25.1 9.4 273 279 A K - 0 0 60 -31,-3.0 5,-0.1 -2,-0.2 -1,-0.0 -0.937 19.9-118.6-107.8 123.3 5.5 -24.0 12.7 274 280 A P > - 0 0 70 0, 0.0 3,-1.3 0, 0.0 4,-0.4 -0.280 19.9-122.3 -58.3 142.5 2.4 -21.8 12.6 275 281 A W G > S+ 0 0 8 1,-0.3 3,-1.3 2,-0.2 4,-0.2 0.781 105.5 68.1 -54.8 -33.6 2.8 -18.3 14.1 276 282 A L G > S+ 0 0 99 1,-0.3 3,-2.6 2,-0.2 -1,-0.3 0.778 82.8 71.7 -63.4 -29.2 -0.0 -18.9 16.6 277 283 A K G < S+ 0 0 166 -3,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.846 89.7 61.6 -57.6 -30.6 2.0 -21.5 18.6 278 284 A F G < S+ 0 0 50 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.2 0.562 81.9 116.5 -72.3 -3.5 4.2 -18.6 19.8 279 285 A M < + 0 0 83 -3,-2.6 2,-0.3 -4,-0.2 -58,-0.1 -0.438 39.2 155.1 -67.7 137.9 1.0 -17.2 21.4 280 286 A N >> - 0 0 78 -2,-0.1 4,-2.2 1,-0.0 3,-0.6 -0.963 54.9 -87.3-155.6 172.3 1.1 -17.0 25.3 281 287 A A T 34 S+ 0 0 94 -2,-0.3 4,-0.2 1,-0.2 -2,-0.0 0.719 119.6 51.4 -57.8 -30.7 -0.4 -15.2 28.3 282 288 A D T 34 S+ 0 0 93 1,-0.1 -1,-0.2 -61,-0.1 3,-0.2 0.888 121.2 31.6 -73.8 -38.2 2.1 -12.4 28.4 283 289 A N T X4 S+ 0 0 0 -3,-0.6 3,-3.0 -62,-0.2 4,-0.4 0.625 85.3 104.3 -97.5 -17.1 1.7 -11.5 24.7 284 290 A Q G >< S+ 0 0 127 -4,-2.2 3,-1.2 1,-0.3 -1,-0.2 0.708 77.3 56.5 -38.9 -43.2 -2.0 -12.3 24.0 285 291 A H G 3 S+ 0 0 105 1,-0.2 -1,-0.3 -4,-0.2 3,-0.2 0.673 108.0 50.3 -69.8 -15.1 -3.3 -8.7 24.1 286 292 A L G < S+ 0 0 1 -3,-3.0 -1,-0.2 -66,-0.3 2,-0.2 0.421 90.5 85.6 -98.1 1.7 -0.8 -7.8 21.3 287 293 A V < + 0 0 15 -3,-1.2 5,-0.2 -4,-0.4 -1,-0.1 -0.084 48.5 167.0-113.0 48.7 -1.5 -10.5 18.8 288 294 A S >> - 0 0 25 -2,-0.2 4,-1.9 -3,-0.2 3,-0.6 0.013 49.9-114.2 -46.8 149.3 -4.4 -9.8 16.4 289 295 A P H 3> S+ 0 0 114 0, 0.0 4,-2.3 0, 0.0 -1,-0.1 0.780 123.1 59.4 -53.8 -26.2 -4.9 -12.0 13.3 290 296 A E H 3> S+ 0 0 78 2,-0.2 4,-2.3 1,-0.2 27,-0.2 0.849 101.5 53.4 -70.3 -34.7 -4.0 -8.8 11.4 291 297 A A H <> S+ 0 0 0 -3,-0.6 4,-3.0 2,-0.2 -1,-0.2 0.945 111.0 45.2 -60.0 -49.4 -0.7 -8.9 13.3 292 298 A I H X S+ 0 0 27 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.902 111.2 52.3 -64.0 -42.0 -0.1 -12.4 12.2 293 299 A D H X S+ 0 0 60 -4,-2.3 4,-1.1 2,-0.2 -1,-0.2 0.942 113.4 44.0 -62.5 -45.3 -1.1 -11.7 8.6 294 300 A F H >X S+ 0 0 0 -4,-2.3 3,-0.7 1,-0.2 4,-0.6 0.951 114.7 49.1 -61.9 -48.9 1.3 -8.7 8.4 295 301 A L H >X S+ 0 0 0 -4,-3.0 4,-2.6 1,-0.2 3,-1.5 0.922 107.6 54.2 -59.3 -42.5 4.1 -10.6 10.1 296 302 A D H 3< S+ 0 0 32 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.785 105.2 54.6 -63.1 -26.6 3.7 -13.6 7.8 297 303 A K H << S+ 0 0 69 -4,-1.1 10,-1.8 -3,-0.7 -1,-0.3 0.530 113.1 43.0 -85.9 -9.7 4.1 -11.3 4.8 298 304 A L H << S+ 0 0 0 -3,-1.5 2,-2.0 -4,-0.6 -2,-0.2 0.812 101.6 64.4 -98.3 -49.7 7.4 -9.9 6.1 299 305 A L S < S+ 0 0 2 -4,-2.6 2,-0.4 -86,-0.1 -1,-0.2 -0.504 70.5 136.1 -86.0 76.2 9.2 -13.0 7.3 300 306 A R - 0 0 71 -2,-2.0 6,-0.1 -3,-0.2 5,-0.1 -0.952 56.1-138.5-116.2 134.3 9.5 -14.8 4.0 301 307 A Y S S+ 0 0 15 -2,-0.4 2,-0.8 1,-0.1 -106,-0.2 0.924 92.6 76.1 -53.4 -48.1 12.7 -16.5 2.9 302 308 A D S >> S- 0 0 7 1,-0.2 3,-1.5 -108,-0.1 4,-0.7 -0.633 70.5-160.1 -73.6 108.4 12.3 -15.1 -0.6 303 309 A H G >4 S+ 0 0 2 -2,-0.8 3,-0.6 1,-0.3 -1,-0.2 0.818 91.2 60.2 -58.1 -31.9 13.2 -11.5 -0.4 304 310 A Q G 34 S+ 0 0 49 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.725 101.7 54.1 -70.6 -20.9 11.2 -10.8 -3.5 305 311 A E G <4 S+ 0 0 98 -3,-1.5 -1,-0.2 -7,-0.1 -2,-0.2 0.646 86.7 105.4 -86.7 -16.9 8.0 -12.1 -1.8 306 312 A R S << S- 0 0 5 -4,-0.7 -8,-0.2 -3,-0.6 -9,-0.1 -0.248 81.3-100.3 -67.6 148.5 8.3 -9.7 1.1 307 313 A L - 0 0 24 -10,-1.8 2,-0.2 -13,-0.2 -1,-0.1 -0.353 36.5-123.2 -56.7 144.1 6.1 -6.7 1.4 308 314 A T > - 0 0 25 1,-0.1 4,-2.9 -3,-0.1 5,-0.1 -0.494 27.5-107.4 -78.4 166.6 7.7 -3.4 0.4 309 315 A A H > S+ 0 0 2 2,-0.2 4,-2.0 1,-0.2 -170,-0.2 0.878 123.3 53.1 -61.3 -38.4 7.8 -0.7 3.0 310 316 A L H > S+ 0 0 90 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.964 110.6 44.1 -61.1 -53.7 5.2 1.1 1.0 311 317 A E H >> S+ 0 0 85 1,-0.2 3,-0.9 2,-0.2 4,-0.7 0.912 109.8 57.7 -56.5 -44.9 2.9 -1.9 0.9 312 318 A A H >< S+ 0 0 0 -4,-2.9 3,-1.5 1,-0.2 6,-0.3 0.895 100.3 56.8 -52.2 -46.0 3.5 -2.6 4.6 313 319 A M H 3< S+ 0 0 21 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.769 108.4 48.7 -62.7 -25.2 2.2 1.0 5.5 314 320 A T H << S+ 0 0 89 -4,-1.0 -1,-0.3 -3,-0.9 -2,-0.2 0.522 80.2 119.4 -93.0 -4.4 -1.1 0.3 3.8 315 321 A H S X< S- 0 0 12 -3,-1.5 3,-2.3 -4,-0.7 4,-0.2 -0.298 77.1-116.2 -58.9 140.4 -1.8 -3.1 5.4 316 322 A P G > S+ 0 0 62 0, 0.0 3,-2.1 0, 0.0 4,-0.3 0.758 108.4 78.8 -53.6 -23.8 -5.0 -3.1 7.3 317 323 A Y G 3 S+ 0 0 2 1,-0.3 3,-0.3 -27,-0.2 4,-0.2 0.880 98.9 44.0 -48.4 -36.9 -3.1 -3.7 10.6 318 324 A F G <> S+ 0 0 0 -3,-2.3 4,-2.3 -6,-0.3 3,-0.3 0.373 78.6 111.6 -93.5 8.5 -2.2 -0.0 10.4 319 325 A Q H <> S+ 0 0 119 -3,-2.1 4,-3.0 1,-0.3 5,-0.2 0.864 78.5 48.7 -53.7 -43.1 -5.6 1.4 9.5 320 326 A Q H > S+ 0 0 121 -3,-0.3 4,-2.5 -4,-0.3 -1,-0.3 0.909 110.3 51.3 -66.3 -39.7 -6.2 3.1 12.9 321 327 A V H > S+ 0 0 3 -3,-0.3 4,-2.2 -4,-0.2 -1,-0.2 0.902 113.0 46.0 -61.9 -41.0 -2.8 4.7 12.8 322 328 A R H X S+ 0 0 61 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.935 111.4 51.4 -66.4 -46.9 -3.5 6.0 9.2 323 329 A A H X S+ 0 0 60 -4,-3.0 4,-0.5 -5,-0.2 -2,-0.2 0.939 111.8 48.2 -55.2 -43.8 -7.0 7.2 10.2 324 330 A A H >< S+ 0 0 59 -4,-2.5 3,-1.2 1,-0.2 -1,-0.2 0.927 111.6 48.9 -64.6 -43.0 -5.5 9.1 13.2 325 331 A E H 3< S+ 0 0 89 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.945 104.4 58.2 -63.6 -46.7 -2.7 10.7 11.1 326 332 A N H 3< 0 0 133 -4,-2.8 -1,-0.3 1,-0.2 -2,-0.2 0.655 360.0 360.0 -58.9 -10.7 -5.1 11.8 8.4 327 333 A S << 0 0 146 -3,-1.2 -1,-0.2 -4,-0.5 -2,-0.1 -0.453 360.0 360.0 52.6 360.0 -6.9 13.7 11.2