==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-JUN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 07-DEC-10 3PVG . COMPND 2 MOLECULE: CASEIN KINASE II SUBUNIT ALPHA; . SOURCE 2 ORGANISM_SCIENTIFIC: ZEA MAYS; . AUTHOR E.PAPINUTTO,C.FRANCHIN,R.BATTISTUTTA . 327 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15797.0 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 . 39 11.9 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 . 42 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 101 30.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 3 1 1 1 1 0 1 1 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 2 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 17.9 -11.0 -8.7 2 8 A K - 0 0 124 176,-0.1 202,-0.1 177,-0.1 2,-0.1 -0.973 360.0 -97.1-135.2 151.3 16.6 -7.3 -8.9 3 9 A A - 0 0 3 -2,-0.3 4,-0.2 200,-0.2 301,-0.1 -0.405 24.7-141.4 -58.3 141.6 14.6 -5.2 -6.5 4 10 A R S S+ 0 0 151 2,-0.1 2,-0.3 -2,-0.1 -1,-0.1 0.580 85.4 34.0 -84.1 -14.6 10.9 -5.2 -7.5 5 11 A V S S+ 0 0 56 1,-0.1 200,-0.2 2,-0.0 -2,-0.0 -0.954 121.4 11.0-134.2 155.5 10.6 -1.4 -6.6 6 12 A Y S > S+ 0 0 66 -2,-0.3 3,-1.1 1,-0.1 4,-0.3 0.676 75.0 140.3 54.5 28.1 13.0 1.5 -6.7 7 13 A A T 3 S+ 0 0 16 1,-0.2 3,-0.3 -4,-0.2 4,-0.2 0.861 70.9 45.2 -70.2 -31.3 15.5 -0.5 -8.9 8 14 A D T 3> S+ 0 0 88 1,-0.2 4,-2.3 2,-0.1 -1,-0.2 0.263 77.3 106.9 -97.2 14.3 16.3 2.5 -11.1 9 15 A V H <> S+ 0 0 16 -3,-1.1 4,-1.4 1,-0.2 -1,-0.2 0.934 89.4 35.7 -61.7 -48.5 16.8 5.2 -8.5 10 16 A N H 4 S+ 0 0 2 166,-0.5 -1,-0.2 -4,-0.3 8,-0.2 0.776 112.2 61.9 -74.9 -23.2 20.6 5.4 -8.8 11 17 A V H 4 S+ 0 0 100 -4,-0.2 -2,-0.2 1,-0.2 -1,-0.2 0.890 111.5 38.4 -64.8 -40.4 20.4 4.7 -12.5 12 18 A L H < S+ 0 0 129 -4,-2.3 -2,-0.2 2,-0.1 -1,-0.2 0.807 102.5 84.7 -82.5 -27.7 18.5 7.9 -13.0 13 19 A R S < S- 0 0 76 -4,-1.4 5,-0.1 -5,-0.2 -3,-0.0 -0.231 93.7 -85.5 -78.3 157.1 20.2 10.1 -10.5 14 20 A P >> - 0 0 76 0, 0.0 3,-2.0 0, 0.0 4,-0.7 -0.354 39.9-115.2 -57.0 145.7 23.4 12.1 -11.2 15 21 A K H >> S+ 0 0 125 1,-0.3 4,-2.3 2,-0.2 3,-0.8 0.836 114.1 65.2 -55.9 -32.2 26.5 10.0 -10.6 16 22 A E H 34 S+ 0 0 143 1,-0.2 -1,-0.3 2,-0.2 6,-0.1 0.709 89.7 65.4 -62.8 -27.9 27.4 12.4 -7.8 17 23 A Y H <4 S+ 0 0 28 -3,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.893 120.1 19.2 -56.9 -47.9 24.4 11.3 -5.7 18 24 A W H << S+ 0 0 66 -3,-0.8 2,-2.1 -4,-0.7 3,-0.2 0.513 98.3 92.7-106.5 -14.4 25.7 7.7 -5.3 19 25 A D >< + 0 0 45 -4,-2.3 3,-1.5 -5,-0.2 4,-0.2 -0.487 48.5 168.5 -81.4 78.5 29.4 8.0 -6.1 20 26 A Y G > + 0 0 17 -2,-2.1 3,-1.6 1,-0.3 -1,-0.2 0.748 65.9 68.1 -68.5 -22.5 30.3 8.5 -2.4 21 27 A E G 3 S+ 0 0 87 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.757 94.4 58.4 -66.3 -23.6 34.1 8.1 -3.0 22 28 A A G < S+ 0 0 65 -3,-1.5 -1,-0.3 -6,-0.1 -2,-0.2 0.455 81.9 122.0 -80.8 -2.4 34.0 11.4 -4.9 23 29 A L < - 0 0 22 -3,-1.6 2,-0.6 -4,-0.2 50,-0.1 -0.338 51.6-154.1 -65.8 137.0 32.7 13.2 -1.8 24 30 A T - 0 0 104 -2,-0.0 2,-0.2 49,-0.0 -1,-0.1 -0.966 21.1-133.9-111.3 110.4 34.8 16.1 -0.4 25 31 A V - 0 0 24 -2,-0.6 2,-0.8 1,-0.1 48,-0.0 -0.488 7.9-148.3 -71.1 134.1 34.1 16.4 3.3 26 32 A Q - 0 0 146 -2,-0.2 68,-0.3 69,-0.0 2,-0.2 -0.841 20.4-147.3-104.6 98.0 33.5 19.9 4.5 27 33 A W - 0 0 94 -2,-0.8 68,-0.2 1,-0.1 66,-0.0 -0.452 9.2-155.6 -75.1 132.6 34.7 20.0 8.1 28 34 A G - 0 0 32 66,-3.3 2,-0.7 -2,-0.2 68,-0.3 0.084 38.7 -69.8 -79.9-161.5 33.1 22.1 10.8 29 35 A E > - 0 0 96 1,-0.2 3,-2.2 66,-0.1 4,-0.2 -0.888 32.2-155.7-104.2 113.9 34.6 23.5 13.9 30 36 A Q G > S+ 0 0 69 -2,-0.7 3,-1.6 66,-0.4 -1,-0.2 0.802 91.5 62.6 -52.3 -38.4 35.3 20.9 16.6 31 37 A D G 3 S+ 0 0 120 1,-0.3 -1,-0.3 -3,-0.1 22,-0.1 0.556 85.0 75.5 -70.2 -2.5 35.1 23.4 19.4 32 38 A D G < S+ 0 0 42 -3,-2.2 21,-2.8 1,-0.1 22,-0.5 0.682 96.1 54.5 -76.3 -14.2 31.4 24.2 18.6 33 39 A Y E < -A 52 0A 35 -3,-1.6 2,-0.4 19,-0.2 19,-0.2 -0.969 64.6-171.0-129.8 126.0 30.4 20.8 20.2 34 40 A E E -A 51 0A 113 17,-2.6 17,-1.9 -2,-0.4 2,-0.1 -0.957 26.2-118.2-121.0 141.1 31.2 19.6 23.7 35 41 A V E +A 50 0A 65 -2,-0.4 15,-0.3 15,-0.2 3,-0.1 -0.439 28.8 175.1 -73.9 136.1 30.6 16.1 25.2 36 42 A V E - 0 0 78 13,-3.0 2,-0.3 1,-0.3 14,-0.2 0.737 64.1 -20.6-107.8 -48.2 28.2 16.0 28.1 37 43 A R E -A 49 0A 150 12,-1.7 12,-2.9 0, 0.0 -1,-0.3 -0.952 64.5-102.6-163.3 146.7 27.9 12.2 28.8 38 44 A K E +A 48 0A 101 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.540 36.1 168.1 -68.7 135.1 28.4 8.9 27.0 39 45 A V E + 0 0 67 8,-2.7 2,-0.3 1,-0.3 9,-0.2 0.468 57.6 1.6-125.7 -12.9 25.2 7.2 25.8 40 46 A G E -A 47 0A 27 7,-1.9 7,-2.9 2,-0.0 -1,-0.3 -0.989 50.7-170.8-166.2 170.3 26.2 4.3 23.6 41 47 A R E +A 46 0A 179 -2,-0.3 2,-0.3 5,-0.3 5,-0.2 -0.973 9.2 162.2-164.8 155.3 29.0 2.4 22.0 42 48 A G - 0 0 27 3,-2.4 3,-0.2 -2,-0.3 -2,-0.0 -0.924 57.2 -69.2-161.2-170.9 29.7 -0.2 19.5 43 49 A K S S+ 0 0 161 -2,-0.3 3,-0.1 1,-0.2 -1,-0.0 0.755 128.8 29.6 -60.1 -29.4 32.3 -1.8 17.3 44 50 A Y S S+ 0 0 113 1,-0.2 21,-2.5 20,-0.0 2,-0.3 0.516 122.9 15.2-114.2 -4.6 32.7 1.3 15.1 45 51 A S E - B 0 64A 6 19,-0.2 -3,-2.4 -3,-0.2 2,-0.4 -0.992 51.9-134.6-162.3 159.7 31.8 4.3 17.4 46 52 A E E -AB 41 63A 66 17,-2.4 17,-2.9 -2,-0.3 2,-0.4 -0.958 30.0-149.8-116.8 145.7 31.2 5.8 20.8 47 53 A V E +AB 40 62A 29 -7,-2.9 -8,-2.7 -2,-0.4 -7,-1.9 -0.945 16.0 178.9-124.4 136.4 28.2 8.0 21.2 48 54 A F E -AB 38 61A 27 13,-2.5 13,-3.2 -2,-0.4 2,-0.4 -0.975 32.8-120.8-135.4 146.2 27.7 10.9 23.5 49 55 A E E +AB 37 60A 15 -12,-2.9 -13,-3.0 -2,-0.3 -12,-1.7 -0.728 48.5 175.2 -73.6 138.3 25.0 13.4 24.3 50 56 A G E -AB 35 59A 1 9,-2.9 9,-1.8 -2,-0.4 2,-0.4 -0.696 27.5-124.5-134.9 178.8 26.6 16.8 23.7 51 57 A I E -AB 34 58A 45 -17,-1.9 -17,-2.6 7,-0.2 2,-0.7 -0.987 16.0-131.8-127.3 140.8 25.9 20.5 23.6 52 58 A N E > -A 33 0A 26 5,-2.9 4,-1.8 -2,-0.4 5,-0.4 -0.854 21.2-154.1 -84.6 111.4 26.4 23.0 20.8 53 59 A V T 4 S+ 0 0 57 -21,-2.8 -1,-0.1 -2,-0.7 -20,-0.1 0.639 86.5 60.3 -66.8 -15.7 28.1 25.8 22.6 54 60 A N T 4 S+ 0 0 101 -22,-0.5 -1,-0.2 1,-0.1 -21,-0.1 0.936 125.8 12.3 -71.9 -51.3 26.9 28.5 20.2 55 61 A N T 4 S- 0 0 80 2,-0.1 -2,-0.2 3,-0.0 -1,-0.1 0.346 94.0-124.7-115.0 4.2 23.2 28.0 20.8 56 62 A N < + 0 0 116 -4,-1.8 2,-0.3 1,-0.2 -3,-0.2 0.713 61.0 145.4 62.0 22.6 23.2 25.7 23.9 57 63 A E - 0 0 122 -5,-0.4 -5,-2.9 1,-0.1 -1,-0.2 -0.668 51.5-110.4 -89.6 141.1 21.1 23.1 22.1 58 64 A K E +B 51 0A 114 -2,-0.3 51,-0.6 -7,-0.2 2,-0.3 -0.327 41.3 169.8 -64.0 148.0 21.6 19.4 22.7 59 65 A C E -BC 50 108A 4 -9,-1.8 -9,-2.9 49,-0.2 2,-0.5 -0.941 34.2-112.5-143.0 177.9 23.1 17.1 20.1 60 66 A I E -BC 49 107A 26 47,-2.3 47,-2.9 -2,-0.3 2,-0.6 -0.971 25.7-157.8-113.2 132.3 24.4 13.7 19.7 61 67 A I E -BC 48 106A 7 -13,-3.2 -13,-2.5 -2,-0.5 2,-0.7 -0.960 3.7-166.2-112.7 118.6 28.1 13.3 19.1 62 68 A K E -BC 47 105A 11 43,-3.1 43,-2.8 -2,-0.6 2,-0.6 -0.891 5.7-161.1-107.1 109.1 29.3 10.1 17.4 63 69 A I E -BC 46 104A 48 -17,-2.9 -17,-2.4 -2,-0.7 2,-0.3 -0.780 17.4-136.9 -93.5 122.2 33.0 9.7 17.7 64 70 A L E -B 45 0A 13 39,-2.7 -19,-0.2 -2,-0.6 3,-0.1 -0.583 5.4-133.8 -87.1 136.8 34.2 7.2 15.0 65 71 A K - 0 0 82 -21,-2.5 -1,-0.0 -2,-0.3 -21,-0.0 -0.453 58.8 -57.2 -76.3 161.0 36.7 4.5 15.8 66 72 A P S S+ 0 0 137 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.060 76.1 164.3 -48.3 122.4 39.6 4.1 13.2 67 73 A V - 0 0 42 -3,-0.1 -3,-0.0 3,-0.0 2,-0.0 -0.988 39.6 -92.5-145.3 153.5 38.0 3.5 9.9 68 74 A K > - 0 0 168 -2,-0.3 4,-1.9 1,-0.1 3,-0.3 -0.293 35.1-118.8 -66.7 149.3 38.9 3.5 6.1 69 75 A K H > S+ 0 0 131 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.884 112.6 56.2 -53.7 -46.9 38.2 6.7 4.1 70 76 A K H > S+ 0 0 100 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.886 106.6 48.4 -55.1 -48.1 35.8 4.8 1.8 71 77 A K H > S+ 0 0 43 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.892 111.7 48.4 -65.7 -40.5 33.5 3.7 4.7 72 78 A I H X S+ 0 0 24 -4,-1.9 4,-2.6 1,-0.2 5,-0.2 0.921 111.3 50.3 -66.6 -41.2 33.3 7.1 6.4 73 79 A K H X S+ 0 0 40 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.865 108.0 54.5 -61.7 -38.8 32.5 8.8 3.1 74 80 A R H X S+ 0 0 34 -4,-1.9 4,-2.4 -5,-0.2 5,-0.2 0.926 111.0 44.2 -61.9 -48.6 29.7 6.2 2.5 75 81 A E H X S+ 0 0 9 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.934 115.6 48.1 -66.5 -42.2 28.0 6.9 5.8 76 82 A I H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.945 112.7 47.5 -62.3 -42.3 28.3 10.7 5.4 77 83 A K H X S+ 0 0 33 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.917 112.6 48.2 -67.0 -44.6 27.0 10.7 1.8 78 84 A I H X S+ 0 0 0 -4,-2.4 4,-1.8 -5,-0.2 -1,-0.2 0.930 112.7 49.1 -61.9 -43.0 24.0 8.5 2.7 79 85 A L H X S+ 0 0 0 -4,-2.7 4,-1.3 -5,-0.2 12,-0.3 0.917 112.3 48.6 -60.0 -42.7 23.2 10.7 5.8 80 86 A Q H < S+ 0 0 83 -4,-2.6 3,-0.3 1,-0.2 -2,-0.2 0.921 112.2 49.0 -61.4 -43.4 23.4 13.9 3.6 81 87 A N H < S+ 0 0 29 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.810 118.4 38.6 -68.3 -32.2 21.2 12.3 0.9 82 88 A L H >< S+ 0 0 0 -4,-1.8 3,-2.4 -5,-0.2 -1,-0.2 0.575 82.0 124.5 -95.6 -11.6 18.6 11.2 3.5 83 89 A X T 3< S+ 0 0 61 -4,-1.3 7,-0.1 -3,-0.3 6,-0.1 -0.240 76.0 26.0 -57.8 132.8 18.6 14.2 5.8 84 90 A G T 3 S+ 0 0 53 4,-0.4 -1,-0.3 1,-0.4 3,-0.1 0.159 90.9 127.0 101.8 -22.9 15.1 15.7 6.2 85 91 A G S X S- 0 0 7 -3,-2.4 3,-1.8 1,-0.1 -1,-0.4 -0.291 76.0 -73.2 -64.7 158.3 13.3 12.4 5.3 86 92 A P T 3 S- 0 0 57 0, 0.0 54,-0.2 0, 0.0 -1,-0.1 -0.353 110.5 -12.6 -63.1 121.6 10.6 11.0 7.7 87 93 A N T 3 S+ 0 0 21 1,-0.2 80,-2.7 -2,-0.1 2,-0.5 0.663 96.3 136.4 67.3 20.5 12.1 9.6 10.9 88 94 A I B < -e 167 0B 2 -3,-1.8 -4,-0.4 78,-0.2 -1,-0.2 -0.887 63.9-107.6 -94.4 131.0 15.6 9.6 9.6 89 95 A V - 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0 0 87 -5,-1.6 -1,-0.2 -6,-0.2 -2,-0.1 -0.877 52.1-137.5-139.9 102.4 10.5 -13.0 22.6 224 230 A E S S+ 0 0 74 -2,-0.4 2,-0.1 1,-0.2 -9,-0.0 -0.891 89.7 11.1-115.9 114.1 13.7 -10.9 22.4 225 231 A P S S- 0 0 13 0, 0.0 -1,-0.2 0, 0.0 3,-0.2 0.783 80.3-153.8 -81.7 167.5 15.2 -11.8 19.9 226 232 A F S S+ 0 0 10 -12,-0.3 2,-0.7 1,-0.2 -2,-0.1 0.912 88.3 39.3 -69.2 -45.5 12.9 -13.9 18.1 227 233 A F S S- 0 0 4 -37,-0.3 2,-0.9 2,-0.1 -1,-0.2 -0.945 78.1-168.6-111.2 103.9 15.4 -16.1 16.1 228 234 A Y + 0 0 110 -2,-0.7 2,-0.3 -3,-0.2 -38,-0.0 -0.663 15.8 164.6-104.9 74.4 18.2 -16.7 18.7 229 235 A G - 0 0 0 -2,-0.9 6,-0.1 1,-0.1 -39,-0.1 -0.645 33.2-149.1 -89.4 149.7 21.1 -18.2 16.9 230 236 A H S S+ 0 0 132 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.653 81.4 3.5 -92.2 -21.9 24.6 -18.4 18.4 231 237 A D S > S- 0 0 88 -42,-0.1 4,-2.3 1,-0.0 5,-0.1 -0.911 92.0 -85.6-148.8 178.4 26.5 -18.1 15.0 232 238 A N H > S+ 0 0 74 -2,-0.3 4,-1.6 1,-0.2 5,-0.1 0.832 126.5 48.4 -64.1 -32.7 25.5 -17.6 11.4 233 239 A H H > S+ 0 0 61 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.968 111.6 48.2 -68.4 -45.7 24.9 -21.3 10.8 234 240 A D H > S+ 0 0 39 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.853 105.2 62.0 -62.5 -33.6 22.9 -21.7 13.9 235 241 A Q H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.944 104.6 46.5 -57.9 -46.7 20.9 -18.6 12.8 236 242 A L H X S+ 0 0 0 -4,-1.6 4,-3.0 1,-0.2 -1,-0.2 0.902 111.1 53.1 -64.3 -40.5 19.7 -20.3 9.6 237 243 A V H X S+ 0 0 7 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.943 107.2 50.9 -55.0 -48.0 18.8 -23.4 11.7 238 244 A K H < S+ 0 0 61 -4,-2.7 4,-0.3 1,-0.2 -2,-0.2 0.885 113.7 45.6 -60.7 -39.3 16.7 -21.3 14.1 239 245 A I H >X S+ 0 0 0 -4,-2.1 4,-3.1 -5,-0.2 3,-2.0 0.931 111.5 51.3 -65.2 -48.6 14.9 -19.8 11.1 240 246 A A H 3X S+ 0 0 0 -4,-3.0 4,-2.1 1,-0.3 -2,-0.2 0.876 102.1 60.6 -63.3 -34.6 14.4 -23.3 9.4 241 247 A K H 3< S+ 0 0 84 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.625 116.7 32.7 -65.2 -11.4 12.9 -24.7 12.5 242 248 A V H <4 S+ 0 0 17 -3,-2.0 31,-2.8 -4,-0.3 -2,-0.2 0.768 127.4 35.4-107.4 -54.7 10.1 -22.1 12.3 243 249 A L H < S- 0 0 16 -4,-3.1 4,-0.3 29,-0.2 29,-0.2 0.664 109.5-125.1 -75.5 -18.9 9.6 -21.6 8.5 244 250 A G X - 0 0 2 -4,-2.1 4,-0.7 -5,-0.4 27,-0.2 0.149 14.8 -98.2 86.3 156.3 10.3 -25.3 7.7 245 251 A T H > S+ 0 0 7 25,-2.6 4,-2.8 2,-0.2 5,-0.2 0.668 112.1 70.8 -83.8 -17.9 12.9 -26.8 5.2 246 252 A D H > S+ 0 0 131 24,-0.6 4,-2.2 1,-0.2 -1,-0.2 0.952 101.5 45.1 -62.3 -46.5 10.5 -27.3 2.3 247 253 A G H > S+ 0 0 27 -4,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.813 111.9 55.1 -64.1 -36.1 10.3 -23.5 1.8 248 254 A L H X S+ 0 0 2 -4,-0.7 4,-2.8 2,-0.2 5,-0.2 0.943 107.0 47.7 -66.8 -44.8 14.1 -23.4 2.1 249 255 A N H X S+ 0 0 78 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.913 110.3 52.5 -63.6 -37.3 14.7 -25.9 -0.6 250 256 A V H X S+ 0 0 93 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.941 112.0 46.3 -59.6 -48.2 12.3 -24.1 -2.9 251 257 A Y H X S+ 0 0 3 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.911 112.3 49.7 -55.8 -51.1 14.1 -20.8 -2.3 252 258 A L H X>S+ 0 0 10 -4,-2.8 5,-2.5 1,-0.2 4,-0.5 0.911 112.0 48.4 -62.2 -42.5 17.6 -22.4 -2.8 253 259 A N H ><5S+ 0 0 124 -4,-2.6 3,-0.7 -5,-0.2 -1,-0.2 0.908 107.9 54.7 -63.1 -38.4 16.5 -24.1 -6.0 254 260 A K H 3<5S+ 0 0 102 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.914 117.8 34.9 -63.0 -45.8 15.0 -20.8 -7.4 255 261 A Y H 3<5S- 0 0 30 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.345 109.8-122.5 -94.0 10.0 18.2 -18.9 -6.9 256 262 A R T <<5 + 0 0 209 -3,-0.7 2,-0.4 -4,-0.5 -3,-0.2 0.936 58.5 150.6 52.9 54.4 20.4 -21.9 -7.8 257 263 A I < - 0 0 29 -5,-2.5 2,-0.5 -6,-0.1 -1,-0.2 -0.940 32.2-158.0-113.9 135.5 22.3 -21.8 -4.5 258 264 A E - 0 0 182 -2,-0.4 2,-0.1 -60,-0.1 -5,-0.0 -0.964 19.7-124.9-111.1 138.1 23.7 -24.8 -2.8 259 265 A L - 0 0 24 -2,-0.5 -61,-0.1 1,-0.1 -60,-0.0 -0.417 33.4 -97.7 -68.6 149.6 24.4 -24.8 0.9 260 266 A D >> - 0 0 93 1,-0.1 4,-3.0 -2,-0.1 3,-0.5 -0.477 41.8-116.1 -60.7 137.3 27.8 -25.7 2.3 261 267 A P H 3> S+ 0 0 103 0, 0.0 4,-2.7 0, 0.0 5,-0.1 0.854 114.7 53.1 -51.7 -32.6 27.5 -29.3 3.2 262 268 A Q H 3> S+ 0 0 154 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.922 111.2 46.0 -68.4 -35.9 28.1 -28.6 6.9 263 269 A L H <> S+ 0 0 5 -3,-0.5 4,-2.0 2,-0.2 5,-0.2 0.935 111.5 51.9 -71.4 -46.0 25.4 -26.0 6.9 264 270 A E H X S+ 0 0 127 -4,-3.0 4,-1.7 1,-0.2 -2,-0.2 0.939 109.8 50.1 -50.6 -49.3 23.1 -28.4 5.0 265 271 A A H < S+ 0 0 75 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.888 111.2 48.5 -62.2 -38.0 23.9 -31.1 7.6 266 272 A L H < S+ 0 0 102 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.837 106.4 55.8 -70.8 -32.8 23.0 -28.7 10.6 267 273 A V H < S+ 0 0 5 -4,-2.0 -1,-0.2 -3,-0.2 -2,-0.2 0.911 81.5 167.8 -71.5 -38.6 19.8 -27.5 9.1 268 274 A G < - 0 0 44 -4,-1.7 2,-0.4 -5,-0.2 -1,-0.2 -0.347 47.5 -43.9 63.4-138.5 18.3 -31.0 8.8 269 275 A R + 0 0 229 -2,-0.0 2,-0.3 -25,-0.0 -28,-0.0 -0.990 60.6 170.2-137.2 128.9 14.6 -31.4 8.1 270 276 A H - 0 0 51 -2,-0.4 -25,-2.6 -30,-0.1 -24,-0.6 -0.989 27.6-130.3-146.3 136.6 11.8 -29.4 9.7 271 277 A S - 0 0 80 -2,-0.3 2,-0.4 -27,-0.2 -27,-0.4 -0.397 42.7 -93.6 -73.3 157.0 8.2 -29.0 9.2 272 278 A R - 0 0 126 -29,-0.2 -29,-0.2 -28,-0.1 -30,-0.1 -0.619 38.3-142.1 -69.2 125.3 6.7 -25.4 9.1 273 279 A K - 0 0 48 -31,-2.8 2,-0.2 -2,-0.4 -31,-0.0 -0.729 18.2-118.5 -84.1 141.1 5.5 -24.3 12.5 274 280 A P > - 0 0 65 0, 0.0 3,-2.1 0, 0.0 4,-0.2 -0.593 21.8-120.3 -74.2 139.6 2.3 -22.3 12.6 275 281 A W G > S+ 0 0 10 1,-0.3 3,-1.4 -2,-0.2 4,-0.1 0.730 109.8 67.0 -50.2 -26.7 2.7 -18.7 14.0 276 282 A L G > S+ 0 0 105 1,-0.3 3,-1.4 2,-0.2 -1,-0.3 0.684 76.7 80.6 -74.4 -16.9 0.2 -19.5 16.7 277 283 A K G < S+ 0 0 149 -3,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.795 93.3 54.7 -52.7 -23.0 2.6 -22.0 18.3 278 284 A F G < S+ 0 0 52 -3,-1.4 -1,-0.2 -4,-0.2 2,-0.2 0.455 79.8 103.9 -90.8 -7.4 4.2 -18.9 19.8 279 285 A M < + 0 0 70 -3,-1.4 2,-0.2 -4,-0.1 -58,-0.1 -0.556 41.3 153.5 -82.3 143.6 1.3 -17.1 21.6 280 286 A N >> - 0 0 83 -2,-0.2 4,-1.2 -59,-0.0 3,-0.6 -0.845 56.7 -73.4-150.8-169.3 1.1 -17.4 25.4 281 287 A A T 34 S+ 0 0 90 -2,-0.2 4,-0.3 1,-0.2 -2,-0.0 0.808 121.0 52.8 -66.6 -35.3 -0.3 -15.5 28.4 282 288 A D T 34 S+ 0 0 92 1,-0.2 -1,-0.2 2,-0.1 3,-0.1 0.734 122.2 28.6 -72.8 -22.9 2.2 -12.6 28.5 283 289 A N T X> S+ 0 0 0 -3,-0.6 3,-2.8 -62,-0.1 4,-0.7 0.500 86.1 107.1-119.4 -4.4 1.8 -11.6 24.8 284 290 A Q T 3< S+ 0 0 121 -4,-1.2 3,-0.4 1,-0.3 -1,-0.1 0.679 74.2 57.9 -60.9 -41.8 -1.7 -12.7 24.2 285 291 A H T 34 S+ 0 0 105 -4,-0.3 -1,-0.3 1,-0.2 -161,-0.1 0.602 109.8 47.4 -60.4 -14.0 -3.2 -9.1 24.1 286 292 A L T <4 S+ 0 0 2 -3,-2.8 2,-0.8 -66,-0.3 -2,-0.2 0.556 93.3 85.6-102.1 -13.9 -0.8 -8.2 21.3 287 293 A V < + 0 0 18 -4,-0.7 -1,-0.1 -3,-0.4 -163,-0.0 -0.696 50.9 152.0 -98.2 120.0 -1.3 -11.2 19.0 288 294 A S > - 0 0 32 -2,-0.8 4,-2.3 1,-0.1 5,-0.2 -0.775 59.2-101.4-138.7 160.5 -4.2 -11.0 16.4 289 295 A P H > S+ 0 0 121 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.861 124.3 54.7 -57.7 -31.1 -5.0 -12.6 12.9 290 296 A E H > S+ 0 0 81 1,-0.2 4,-2.3 2,-0.2 27,-0.3 0.884 108.8 47.2 -68.6 -37.1 -4.0 -9.1 11.4 291 297 A A H > S+ 0 0 0 -3,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.905 114.5 46.0 -67.3 -47.4 -0.6 -9.2 13.2 292 298 A I H X S+ 0 0 27 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.869 112.6 50.2 -61.6 -46.4 0.1 -12.7 12.1 293 299 A D H X S+ 0 0 60 -4,-2.5 4,-1.1 -5,-0.2 -2,-0.2 0.938 113.4 45.4 -54.1 -47.6 -1.0 -12.0 8.6 294 300 A F H >X S+ 0 0 0 -4,-2.3 3,-0.9 2,-0.2 4,-0.7 0.965 115.4 48.1 -60.0 -52.7 1.3 -9.0 8.4 295 301 A L H >X S+ 0 0 0 -4,-3.0 4,-2.6 1,-0.3 3,-1.6 0.913 108.0 54.1 -55.2 -45.9 4.2 -11.0 10.1 296 302 A D H 3< S+ 0 0 32 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.762 105.4 55.0 -62.0 -28.6 3.8 -13.9 7.7 297 303 A K H << S+ 0 0 71 -4,-1.1 10,-1.9 -3,-0.9 -1,-0.3 0.541 113.2 41.4 -83.9 -8.0 4.1 -11.6 4.7 298 304 A L H << S+ 0 0 0 -3,-1.6 2,-1.8 -4,-0.7 -2,-0.2 0.810 104.2 63.7 -98.7 -47.9 7.4 -10.2 6.0 299 305 A L S < S+ 0 0 1 -4,-2.6 2,-0.4 -86,-0.1 -1,-0.2 -0.517 70.3 132.6 -84.3 73.3 9.2 -13.4 7.2 300 306 A R - 0 0 69 -2,-1.8 6,-0.1 -3,-0.2 5,-0.1 -0.961 57.6-136.0-116.2 138.1 9.4 -15.3 3.8 301 307 A Y S S+ 0 0 15 -2,-0.4 2,-0.8 1,-0.1 -106,-0.2 0.923 91.3 76.1 -54.0 -49.4 12.7 -16.9 2.7 302 308 A D S >> S- 0 0 8 1,-0.2 3,-1.8 -3,-0.1 4,-0.7 -0.614 71.4-157.2 -75.0 111.9 12.3 -15.5 -0.7 303 309 A H G >4 S+ 0 0 2 -2,-0.8 3,-0.7 1,-0.3 -1,-0.2 0.811 91.2 61.3 -57.5 -30.5 13.2 -11.9 -0.5 304 310 A Q G 34 S+ 0 0 50 1,-0.2 -1,-0.3 -301,-0.1 -2,-0.1 0.695 101.5 53.3 -68.8 -18.9 11.2 -11.2 -3.7 305 311 A E G <4 S+ 0 0 103 -3,-1.8 -1,-0.2 2,-0.1 -2,-0.2 0.630 86.2 102.6 -92.1 -12.8 8.0 -12.4 -2.0 306 312 A R S << S- 0 0 4 -3,-0.7 -8,-0.2 -4,-0.7 -9,-0.1 -0.314 82.8 -96.6 -72.0 152.9 8.2 -10.1 1.1 307 313 A L - 0 0 25 -10,-1.9 -1,-0.1 -13,-0.2 2,-0.1 -0.334 36.4-123.6 -56.3 141.8 6.1 -7.0 1.4 308 314 A T > - 0 0 26 1,-0.1 4,-2.9 -3,-0.1 5,-0.2 -0.469 29.2-106.5 -72.5 163.7 7.8 -3.8 0.3 309 315 A A H > S+ 0 0 2 1,-0.2 4,-2.1 2,-0.2 -170,-0.2 0.904 122.9 51.1 -65.8 -32.8 7.8 -1.1 3.0 310 316 A L H > S+ 0 0 95 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.932 112.0 47.2 -68.9 -40.3 5.1 0.9 1.0 311 317 A E H >> S+ 0 0 84 1,-0.2 3,-1.0 2,-0.2 4,-0.6 0.926 109.7 54.0 -61.9 -40.8 2.9 -2.2 0.8 312 318 A A H >< S+ 0 0 0 -4,-2.9 3,-1.4 1,-0.3 6,-0.2 0.890 102.4 56.8 -60.9 -43.2 3.5 -2.9 4.5 313 319 A M H 3< S+ 0 0 25 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.744 107.9 49.1 -58.0 -27.7 2.3 0.6 5.5 314 320 A T H << S+ 0 0 88 -3,-1.0 -1,-0.2 -4,-0.9 -2,-0.2 0.481 81.2 119.2 -92.7 -1.7 -1.1 -0.1 3.7 315 321 A H S X< S- 0 0 12 -3,-1.4 3,-2.3 -4,-0.6 4,-0.1 -0.263 75.6-119.7 -64.6 145.4 -1.7 -3.4 5.4 316 322 A P G > S+ 0 0 67 0, 0.0 3,-2.5 0, 0.0 4,-0.3 0.790 106.6 79.4 -62.9 -18.1 -4.9 -3.4 7.4 317 323 A Y G 3 S+ 0 0 1 1,-0.3 3,-0.3 -27,-0.3 4,-0.2 0.826 98.7 44.7 -50.4 -36.4 -3.0 -4.1 10.6 318 324 A F G <> S+ 0 0 0 -3,-2.3 4,-2.6 -6,-0.2 -1,-0.3 0.222 77.8 114.7 -89.4 9.2 -2.2 -0.3 10.5 319 325 A Q H <> S+ 0 0 111 -3,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.879 77.6 47.8 -52.3 -39.1 -5.7 1.0 9.6 320 326 A Q H > S+ 0 0 107 -3,-0.3 4,-2.2 -4,-0.3 -1,-0.2 0.892 109.9 51.6 -72.0 -37.8 -6.1 2.8 12.9 321 327 A V H > S+ 0 0 3 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.929 112.8 46.7 -61.0 -42.4 -2.7 4.4 12.7 322 328 A R H X S+ 0 0 59 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.924 111.3 50.9 -64.4 -44.4 -3.5 5.7 9.2 323 329 A A H X S+ 0 0 63 -4,-2.6 4,-1.1 -5,-0.3 -1,-0.2 0.892 111.4 48.6 -64.5 -35.1 -6.9 6.9 10.2 324 330 A A H < S+ 0 0 55 -4,-2.2 3,-0.4 2,-0.2 -1,-0.2 0.919 110.8 50.1 -72.6 -35.8 -5.4 8.8 13.2 325 331 A E H < S+ 0 0 86 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.931 97.0 67.4 -69.7 -45.1 -2.8 10.4 11.0 326 332 A N H < 0 0 138 -4,-2.8 -1,-0.2 -5,-0.1 -2,-0.2 0.833 360.0 360.0 -47.8 -37.1 -5.3 11.5 8.4 327 333 A S < 0 0 154 -4,-1.1 -3,-0.1 -3,-0.4 -2,-0.1 0.547 360.0 360.0-112.4 360.0 -6.6 13.9 11.2