==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 09-MAY-07 2PVM . COMPND 2 MOLECULE: CASEIN KINASE II SUBUNIT ALPHA; . SOURCE 2 ORGANISM_SCIENTIFIC: ZEA MAYS; . AUTHOR Z.NIE,C.PERRETTA,P.ERICKSON,S.MARGOSIAK,R.ALMASSY,J.LU, . 328 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16090.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 217 66.2 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 . 25 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 97 29.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 4 0 1 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 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 6 A M 0 0 223 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 99.1 19.9 -12.4 -11.6 2 7 A S + 0 0 3 178,-0.1 178,-0.6 201,-0.1 2,-0.3 -0.755 360.0 174.5-102.5 146.8 17.8 -10.7 -8.9 3 8 A K - 0 0 134 -2,-0.3 202,-0.1 176,-0.1 5,-0.1 -0.985 38.9 -88.1-146.4 155.0 16.7 -7.0 -8.8 4 9 A A - 0 0 2 -2,-0.3 4,-0.1 200,-0.2 301,-0.1 -0.281 26.0-142.2 -60.6 146.8 14.5 -4.8 -6.6 5 10 A R S S+ 0 0 153 2,-0.1 2,-0.3 1,-0.1 -1,-0.1 0.598 85.6 28.5 -86.6 -13.2 10.8 -4.8 -7.5 6 11 A V S S+ 0 0 58 1,-0.1 200,-0.2 2,-0.0 -1,-0.1 -0.958 120.8 16.3-142.9 158.2 10.6 -1.1 -6.8 7 12 A Y S > S+ 0 0 66 -2,-0.3 3,-0.9 1,-0.1 4,-0.3 0.726 75.3 141.8 51.2 27.0 12.9 1.9 -6.8 8 13 A A T 3 + 0 0 21 1,-0.2 3,-0.3 -4,-0.1 -1,-0.1 0.858 70.0 40.0 -66.0 -36.2 15.3 -0.1 -9.0 9 14 A D T 3> S+ 0 0 89 1,-0.2 4,-2.0 2,-0.1 3,-0.3 0.199 79.2 110.8-100.9 16.5 16.4 2.8 -11.2 10 15 A V H <> S+ 0 0 16 -3,-0.9 4,-1.0 1,-0.2 -1,-0.2 0.927 86.0 38.9 -56.2 -49.0 16.6 5.6 -8.6 11 16 A N H 4 S+ 0 0 3 166,-0.4 -1,-0.2 -4,-0.3 8,-0.2 0.673 110.7 61.3 -77.7 -14.5 20.4 5.9 -8.8 12 17 A V H 4 S+ 0 0 99 -3,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.883 109.6 40.6 -75.7 -38.3 20.3 5.4 -12.6 13 18 A L H < S+ 0 0 130 -4,-2.0 -2,-0.2 -3,-0.1 -1,-0.2 0.648 102.6 82.6 -85.3 -17.4 18.2 8.5 -13.1 14 19 A R S < S- 0 0 77 -4,-1.0 5,-0.1 -5,-0.2 -3,-0.0 -0.456 95.9 -83.4 -86.8 160.7 19.9 10.7 -10.5 15 20 A P >> - 0 0 82 0, 0.0 3,-1.5 0, 0.0 4,-0.6 -0.316 39.8-118.4 -59.3 146.5 23.2 12.7 -11.1 16 21 A K H >> S+ 0 0 148 1,-0.3 4,-2.2 2,-0.2 3,-0.7 0.797 111.6 65.8 -58.3 -29.9 26.3 10.5 -10.6 17 22 A E H 34 S+ 0 0 133 1,-0.2 -1,-0.3 2,-0.2 6,-0.1 0.790 89.5 67.9 -63.7 -27.2 27.4 12.7 -7.8 18 23 A Y H <4 S+ 0 0 24 -3,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.886 118.4 18.6 -59.4 -41.7 24.4 11.6 -5.8 19 24 A W H << S+ 0 0 74 -3,-0.7 2,-2.3 -4,-0.6 3,-0.2 0.564 99.4 92.3-108.1 -12.5 25.7 8.1 -5.4 20 25 A D >< + 0 0 64 -4,-2.2 3,-2.0 1,-0.2 4,-0.3 -0.437 50.3 166.6 -81.3 66.9 29.4 8.5 -6.2 21 26 A Y G > + 0 0 22 -2,-2.3 3,-1.6 1,-0.3 -1,-0.2 0.749 64.6 67.5 -56.2 -28.4 30.2 9.0 -2.5 22 27 A E G 3 S+ 0 0 101 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.763 93.1 61.2 -65.5 -21.3 34.0 8.5 -3.0 23 28 A A G < S+ 0 0 64 -3,-2.0 -1,-0.3 -6,-0.1 -2,-0.2 0.558 81.9 117.0 -80.4 -7.9 33.9 11.8 -4.9 24 29 A L < - 0 0 26 -3,-1.6 2,-0.6 -4,-0.3 50,-0.1 -0.291 55.8-151.1 -62.6 141.9 32.7 13.6 -1.8 25 30 A T - 0 0 98 49,-0.0 2,-0.1 2,-0.0 -1,-0.1 -0.943 20.5-133.0-117.3 105.8 34.9 16.3 -0.2 26 31 A V - 0 0 25 -2,-0.6 2,-0.8 1,-0.1 48,-0.0 -0.370 9.8-150.5 -62.6 130.4 34.2 16.4 3.5 27 32 A Q - 0 0 142 -2,-0.1 68,-0.3 69,-0.0 2,-0.2 -0.901 18.3-144.8-103.8 105.3 33.7 19.9 4.9 28 33 A W - 0 0 97 -2,-0.8 68,-0.2 66,-0.1 2,-0.0 -0.513 10.5-151.3 -76.1 135.9 34.9 19.8 8.5 29 34 A G - 0 0 25 66,-3.7 2,-0.7 -2,-0.2 68,-0.3 -0.093 38.3 -68.6 -89.2-167.0 33.1 21.9 11.1 30 35 A E > - 0 0 130 1,-0.2 3,-1.7 66,-0.1 4,-0.3 -0.798 34.5-158.0 -93.2 115.3 34.5 23.4 14.3 31 36 A Q G > S+ 0 0 75 -2,-0.7 3,-1.5 1,-0.3 -1,-0.2 0.827 91.2 60.9 -58.3 -35.6 35.4 20.8 16.9 32 37 A D G 3 S+ 0 0 132 1,-0.3 -1,-0.3 -3,-0.1 22,-0.1 0.597 85.5 77.4 -71.1 -9.5 35.1 23.4 19.7 33 38 A D G < S+ 0 0 39 -3,-1.7 21,-2.9 1,-0.1 22,-0.5 0.716 94.4 56.6 -71.2 -17.9 31.5 24.0 18.9 34 39 A Y E < -A 53 0A 30 -3,-1.5 2,-0.4 -4,-0.3 19,-0.2 -0.955 66.0-168.1-123.9 129.3 30.6 20.7 20.6 35 40 A E E -A 52 0A 117 17,-2.4 17,-1.9 -2,-0.4 2,-0.3 -0.923 25.2-119.1-117.0 137.8 31.3 19.6 24.2 36 41 A V E +A 51 0A 78 -2,-0.4 15,-0.3 15,-0.2 3,-0.1 -0.538 28.1 176.3 -72.8 130.7 31.0 16.1 25.6 37 42 A V E - 0 0 83 13,-3.2 2,-0.3 1,-0.3 14,-0.2 0.797 64.4 -28.2-101.1 -42.7 28.5 15.9 28.5 38 43 A R E -A 50 0A 186 12,-1.6 12,-3.5 0, 0.0 -1,-0.3 -0.903 61.4-101.6-174.7 144.0 28.6 12.2 29.2 39 44 A K E +A 49 0A 95 10,-0.3 10,-0.3 -2,-0.3 3,-0.1 -0.540 35.1 173.6 -72.2 134.1 29.2 8.9 27.5 40 45 A V E - 0 0 79 8,-2.5 2,-0.3 1,-0.3 9,-0.2 0.539 57.0 -23.2-118.0 -14.8 26.0 7.1 26.8 41 46 A G E -A 48 0A 26 7,-1.8 7,-2.4 2,-0.0 -1,-0.3 -0.983 49.5-141.6-175.3-175.5 27.1 4.1 24.8 42 47 A R E -A 47 0A 189 -2,-0.3 2,-0.3 5,-0.3 5,-0.2 -0.978 8.8-175.5-160.4 165.1 29.6 2.4 22.6 43 48 A G - 0 0 29 3,-2.7 -2,-0.0 -2,-0.3 5,-0.0 -0.833 49.0 -89.1-150.8-174.1 29.9 0.1 19.6 44 49 A K S S+ 0 0 158 -2,-0.3 3,-0.1 1,-0.2 22,-0.0 0.683 127.6 40.0 -79.8 -15.4 32.6 -1.7 17.7 45 50 A Y S S- 0 0 126 1,-0.2 21,-2.5 20,-0.1 2,-0.3 0.551 124.7 -6.6-107.6 -11.3 33.0 1.3 15.4 46 51 A S E - B 0 65A 3 19,-0.3 -3,-2.7 59,-0.0 2,-0.4 -0.997 55.6-111.4-171.4 171.9 32.7 4.2 17.9 47 52 A E E -AB 42 64A 78 17,-2.0 17,-2.6 -2,-0.3 2,-0.4 -0.957 34.7-145.7-116.8 134.6 32.0 5.6 21.4 48 53 A V E +AB 41 63A 25 -7,-2.4 -8,-2.5 -2,-0.4 -7,-1.8 -0.870 17.9 179.4-110.3 137.2 28.8 7.7 21.8 49 54 A F E -AB 39 62A 28 13,-2.4 13,-3.1 -2,-0.4 2,-0.4 -0.954 31.6-121.6-133.7 151.5 28.4 10.7 24.1 50 55 A E E +AB 38 61A 42 -12,-3.5 -13,-3.2 -2,-0.3 -12,-1.6 -0.771 48.3 175.0 -85.7 134.5 25.6 13.1 24.9 51 56 A G E -AB 36 60A 1 9,-3.2 9,-1.8 -2,-0.4 2,-0.4 -0.716 27.0-126.4-133.4-174.7 26.9 16.5 24.0 52 57 A I E -AB 35 59A 46 -17,-1.9 -17,-2.4 7,-0.2 2,-0.8 -1.000 17.9-128.4-140.1 137.7 26.0 20.2 23.8 53 58 A N E > -A 34 0A 21 5,-3.1 4,-2.1 -2,-0.4 5,-0.5 -0.773 20.4-153.6 -82.3 114.0 26.3 22.7 21.0 54 59 A V T 4 S+ 0 0 50 -21,-2.9 -1,-0.2 -2,-0.8 -20,-0.1 0.728 88.5 58.4 -63.6 -21.8 28.2 25.6 22.7 55 60 A N T 4 S+ 0 0 108 -22,-0.5 -1,-0.2 1,-0.1 -21,-0.1 0.983 125.8 12.3 -71.4 -60.4 26.7 28.1 20.3 56 61 A N T 4 S- 0 0 75 2,-0.1 -2,-0.2 3,-0.0 -1,-0.1 0.397 95.8-125.9 -99.2 0.4 22.9 27.5 20.9 57 62 A N < + 0 0 120 -4,-2.1 2,-0.2 1,-0.2 -3,-0.2 0.772 60.6 146.3 60.0 26.6 23.4 25.4 24.1 58 63 A E - 0 0 123 -5,-0.5 -5,-3.1 1,-0.1 -1,-0.2 -0.653 50.8-105.8 -94.7 152.6 21.3 22.6 22.5 59 64 A K E +B 52 0A 109 -2,-0.2 51,-0.6 -7,-0.2 2,-0.3 -0.341 43.3 164.0 -75.3 156.1 21.8 18.9 23.1 60 65 A C E -BC 51 109A 1 -9,-1.8 -9,-3.2 49,-0.2 2,-0.5 -0.941 36.0-108.7-158.5 174.6 23.4 16.6 20.5 61 66 A I E -BC 50 108A 29 47,-2.7 47,-2.9 -2,-0.3 2,-0.6 -0.973 24.7-156.3-117.8 129.5 24.9 13.2 20.1 62 67 A I E -BC 49 107A 8 -13,-3.1 -13,-2.4 -2,-0.5 2,-0.8 -0.933 3.8-166.3-110.6 118.6 28.7 12.9 19.5 63 68 A K E -BC 48 106A 20 43,-2.7 43,-2.2 -2,-0.6 2,-0.8 -0.888 5.4-162.0-105.5 102.6 29.9 9.7 17.8 64 69 A I E -BC 47 105A 48 -17,-2.6 -17,-2.0 -2,-0.8 41,-0.2 -0.776 19.0-142.4 -87.9 110.9 33.7 9.5 18.1 65 70 A L E -B 46 0A 13 39,-1.9 -19,-0.3 -2,-0.8 3,-0.1 -0.468 1.3-132.9 -80.4 143.1 34.8 7.0 15.5 66 71 A K - 0 0 88 -21,-2.5 -1,-0.1 1,-0.2 -22,-0.0 -0.435 64.3 -49.5 -81.6 163.6 37.5 4.5 15.9 67 72 A P S S+ 0 0 143 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.043 74.6 176.1 -37.9 124.8 40.0 4.3 13.0 68 73 A V - 0 0 55 -3,-0.1 2,-0.1 4,-0.0 -3,-0.0 -0.987 32.2-103.7-139.2 146.8 38.0 4.0 9.8 69 74 A K > - 0 0 167 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.379 27.9-123.6 -68.8 146.4 38.8 4.0 6.0 70 75 A K H > S+ 0 0 151 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.908 113.3 49.2 -55.1 -46.4 38.3 7.1 4.0 71 76 A K H > S+ 0 0 107 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.934 110.6 52.4 -58.9 -46.4 36.0 5.3 1.6 72 77 A K H > S+ 0 0 53 1,-0.2 4,-1.3 2,-0.2 3,-0.2 0.926 111.7 42.6 -56.0 -53.8 34.0 3.8 4.4 73 78 A I H X S+ 0 0 15 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.816 109.2 57.5 -68.2 -31.7 33.3 7.1 6.2 74 79 A K H X S+ 0 0 32 -4,-2.0 4,-2.8 -5,-0.2 5,-0.2 0.856 102.9 56.5 -66.4 -33.5 32.5 9.0 3.0 75 80 A R H X S+ 0 0 31 -4,-1.5 4,-2.1 -3,-0.2 -1,-0.2 0.926 109.4 44.0 -63.7 -44.7 29.8 6.5 2.3 76 81 A E H X S+ 0 0 11 -4,-1.3 4,-2.3 2,-0.2 -2,-0.2 0.920 115.1 48.9 -67.4 -42.5 28.1 7.1 5.7 77 82 A I H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 5,-0.2 0.943 111.9 47.8 -62.5 -48.9 28.4 10.9 5.3 78 83 A K H X S+ 0 0 39 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.907 112.0 49.8 -60.1 -43.2 27.0 11.0 1.8 79 84 A I H X S+ 0 0 0 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.916 111.0 49.3 -63.4 -41.8 24.0 8.8 2.7 80 85 A L H X S+ 0 0 1 -4,-2.3 4,-1.8 2,-0.2 12,-0.3 0.891 113.0 46.8 -64.5 -39.6 23.2 10.9 5.7 81 86 A Q H < S+ 0 0 88 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.907 111.7 51.1 -69.3 -40.5 23.4 14.1 3.7 82 87 A N H < S+ 0 0 27 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.852 120.6 34.7 -64.9 -33.8 21.2 12.6 0.9 83 88 A L H >< S+ 0 0 0 -4,-2.0 3,-2.8 -5,-0.2 -1,-0.2 0.617 84.0 124.5 -96.7 -14.6 18.6 11.5 3.4 84 89 A X T 3< S+ 0 0 67 -4,-1.8 7,-0.1 1,-0.3 6,-0.1 -0.200 77.6 25.9 -50.5 128.8 18.8 14.4 5.9 85 90 A G T 3 S+ 0 0 49 4,-0.4 -1,-0.3 1,-0.4 3,-0.1 0.117 92.2 126.5 103.2 -21.5 15.3 15.9 6.2 86 91 A G S X S- 0 0 6 -3,-2.8 3,-1.9 1,-0.2 -1,-0.4 -0.265 77.2 -67.1 -68.2 159.3 13.5 12.7 5.3 87 92 A P T 3 S- 0 0 63 0, 0.0 -1,-0.2 0, 0.0 54,-0.2 -0.229 113.3 -17.5 -50.9 116.0 10.7 11.2 7.6 88 93 A N T 3 S+ 0 0 21 1,-0.2 80,-2.6 -3,-0.1 2,-0.6 0.721 94.2 143.5 57.0 26.8 12.3 10.0 10.8 89 94 A I B < -e 168 0B 1 -3,-1.9 -4,-0.4 78,-0.2 -1,-0.2 -0.856 58.3-112.0 -95.7 125.3 15.8 9.9 9.4 90 95 A V - 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0 0 51 -5,-0.3 -5,-2.2 -6,-0.1 -1,-0.3 -0.556 28.9-145.5 -70.5 120.7 40.0 11.2 15.0 104 109 A P E - D 0 97A 16 0, 0.0 -39,-1.9 0, 0.0 2,-0.4 -0.591 12.5-163.8 -89.8 152.7 36.7 12.2 13.3 105 110 A S E -CD 64 96A 12 -9,-3.4 -9,-2.6 -41,-0.2 2,-0.5 -0.998 9.9-146.0-135.4 137.2 33.4 12.7 15.1 106 111 A L E -CD 63 95A 0 -43,-2.2 -43,-2.7 -2,-0.4 2,-0.6 -0.892 13.5-146.8-103.8 132.1 29.9 12.8 13.7 107 112 A I E -CD 62 94A 0 -13,-2.9 -14,-2.8 -2,-0.5 -13,-1.5 -0.889 21.8-177.8-103.4 122.2 27.4 15.2 15.4 108 113 A F E -CD 61 92A 9 -47,-2.9 -47,-2.7 -2,-0.6 -16,-0.2 -0.788 34.5 -92.0-118.3 160.6 23.8 14.0 15.4 109 114 A E E -C 60 0A 33 -18,-1.9 2,-0.4 -2,-0.3 -49,-0.2 -0.335 50.7-112.1 -63.7 150.7 20.5 15.4 16.6 110 115 A Y - 0 0 50 -51,-0.6 2,-0.4 -50,-0.1 -1,-0.1 -0.724 29.8-169.8 -92.8 135.5 19.7 14.2 20.1 111 116 A V - 0 0 12 -2,-0.4 2,-2.4 48,-0.0 48,-0.1 -0.993 25.6-133.3-123.9 129.0 16.9 11.8 20.8 112 117 A N - 0 0 84 -2,-0.4 49,-0.3 46,-0.1 50,-0.3 -0.432 44.3-177.5 -79.9 67.9 15.8 11.2 24.4 113 118 A N - 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0 0 92 -5,-1.4 -1,-0.2 -6,-0.2 -2,-0.1 -0.933 53.7-132.2-135.6 107.2 10.7 -12.8 22.6 225 230 A E S S+ 0 0 96 -2,-0.4 2,-0.1 1,-0.2 -9,-0.0 -0.922 91.5 11.4-113.4 114.6 14.0 -10.8 22.2 226 231 A P S S- 0 0 8 0, 0.0 3,-0.2 0, 0.0 -1,-0.2 0.692 79.5-153.3 -87.8 169.6 15.4 -11.6 19.8 227 232 A F S S+ 0 0 12 -12,-0.3 2,-0.8 1,-0.3 -2,-0.1 0.951 90.9 39.4 -68.4 -49.4 13.0 -13.7 17.9 228 233 A F S S- 0 0 4 -37,-0.4 2,-1.2 -4,-0.1 -1,-0.3 -0.860 77.6-169.7-103.0 99.0 15.6 -15.8 16.0 229 234 A Y + 0 0 120 -2,-0.8 2,-0.2 -3,-0.2 -38,-0.0 -0.585 15.9 167.1 -94.4 75.7 18.3 -16.4 18.6 230 235 A G - 0 0 0 -2,-1.2 6,-0.1 1,-0.1 -39,-0.1 -0.559 33.0-148.8 -88.3 153.3 21.2 -17.9 16.6 231 236 A H S S- 0 0 138 -2,-0.2 2,-0.3 1,-0.2 -1,-0.1 0.781 80.3 -1.0 -88.7 -34.2 24.8 -18.3 18.0 232 237 A D S > S- 0 0 82 -42,-0.1 4,-2.5 1,-0.0 -1,-0.2 -0.895 89.3 -84.6-145.9 175.2 26.6 -17.9 14.7 233 238 A N H > S+ 0 0 62 -2,-0.3 4,-1.2 1,-0.2 5,-0.1 0.820 127.5 48.7 -56.5 -33.2 25.7 -17.3 11.0 234 239 A H H > S+ 0 0 47 2,-0.2 4,-1.5 1,-0.2 3,-0.4 0.942 112.9 46.3 -71.1 -47.4 25.1 -21.0 10.4 235 240 A D H > S+ 0 0 31 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.817 104.8 63.6 -64.1 -31.4 23.0 -21.4 13.5 236 241 A Q H X S+ 0 0 0 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.915 104.2 45.8 -60.2 -43.3 21.0 -18.3 12.6 237 242 A L H X S+ 0 0 0 -4,-1.2 4,-3.0 -3,-0.4 -1,-0.2 0.880 110.8 54.2 -67.4 -37.4 19.8 -20.0 9.4 238 243 A V H X S+ 0 0 7 -4,-1.5 4,-2.4 1,-0.2 -2,-0.2 0.929 106.4 51.1 -61.6 -45.9 19.0 -23.1 11.3 239 244 A K H < S+ 0 0 59 -4,-2.7 4,-0.3 1,-0.2 -1,-0.2 0.874 113.0 46.3 -60.0 -37.3 16.8 -21.2 13.8 240 245 A I H >X S+ 0 0 0 -4,-1.6 4,-2.7 -5,-0.2 3,-1.8 0.939 110.4 53.1 -69.4 -46.4 15.0 -19.6 10.8 241 246 A A H 3X S+ 0 0 0 -4,-3.0 4,-1.8 1,-0.3 -2,-0.2 0.856 101.4 60.1 -57.0 -38.3 14.6 -23.0 9.2 242 247 A K H 3< S+ 0 0 88 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.601 115.9 33.9 -68.1 -10.5 13.0 -24.5 12.3 243 248 A V H <4 S+ 0 0 16 -3,-1.8 31,-2.7 -4,-0.3 -2,-0.2 0.791 126.0 34.2-108.8 -51.5 10.2 -22.0 12.1 244 249 A L H < S- 0 0 16 -4,-2.7 4,-0.4 29,-0.2 29,-0.2 0.661 111.0-121.0 -79.9 -16.1 9.6 -21.3 8.4 245 250 A G X - 0 0 3 -4,-1.8 4,-0.9 -5,-0.5 27,-0.2 0.133 12.9 -97.8 91.0 151.7 10.4 -25.0 7.5 246 251 A T H > S+ 0 0 2 25,-2.7 4,-3.1 2,-0.2 5,-0.2 0.712 112.3 69.4 -80.3 -21.0 12.9 -26.4 5.2 247 252 A D H > S+ 0 0 108 24,-0.5 4,-2.5 1,-0.2 5,-0.2 0.957 102.5 45.5 -60.7 -49.4 10.6 -26.9 2.2 248 253 A G H > S+ 0 0 32 -4,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.879 113.3 50.9 -59.9 -38.5 10.4 -23.1 1.7 249 254 A L H X S+ 0 0 1 -4,-0.9 4,-2.9 2,-0.2 -2,-0.2 0.941 110.0 48.8 -64.2 -48.5 14.2 -22.9 2.1 250 255 A N H X S+ 0 0 77 -4,-3.1 4,-2.5 1,-0.2 -2,-0.2 0.897 111.8 48.8 -58.9 -42.6 14.8 -25.6 -0.5 251 256 A A H X S+ 0 0 60 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.919 111.5 50.3 -63.6 -43.4 12.5 -23.9 -2.9 252 257 A Y H X S+ 0 0 6 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.934 111.3 48.5 -58.8 -48.6 14.2 -20.6 -2.3 253 258 A L H <>S+ 0 0 10 -4,-2.9 5,-2.8 1,-0.2 -2,-0.2 0.914 112.0 48.3 -59.8 -45.5 17.6 -22.2 -2.9 254 259 A N H ><5S+ 0 0 95 -4,-2.5 3,-0.9 3,-0.2 -1,-0.2 0.865 107.2 56.9 -65.1 -36.3 16.5 -23.9 -6.1 255 260 A K H 3<5S+ 0 0 112 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.901 115.5 35.1 -62.1 -42.4 15.0 -20.7 -7.5 256 261 A Y T 3<5S- 0 0 34 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.214 110.2-117.2 -98.6 15.9 18.2 -18.7 -7.2 257 262 A R T < 5 + 0 0 197 -3,-0.9 2,-0.4 -4,-0.2 -3,-0.2 0.890 59.9 158.9 52.1 44.3 20.5 -21.7 -8.1 258 263 A I < - 0 0 32 -5,-2.8 2,-0.5 -6,-0.2 -1,-0.2 -0.814 29.2-160.7-103.4 140.9 22.1 -21.5 -4.7 259 264 A E - 0 0 175 -2,-0.4 -5,-0.0 -60,-0.1 6,-0.0 -0.967 16.1-136.4-122.7 116.2 24.0 -24.4 -3.1 260 265 A L - 0 0 11 -2,-0.5 -61,-0.1 1,-0.1 -60,-0.0 -0.276 33.8 -94.5 -66.1 152.9 24.5 -24.4 0.7 261 266 A D > - 0 0 84 1,-0.1 4,-2.7 4,-0.0 5,-0.3 -0.473 38.3-116.2 -66.6 142.1 27.9 -25.4 2.1 262 267 A P H > S+ 0 0 102 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 0.848 115.6 51.2 -46.9 -42.9 27.8 -29.1 3.0 263 268 A Q H > S+ 0 0 137 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.935 111.7 46.7 -63.2 -46.8 28.4 -28.3 6.7 264 269 A L H > S+ 0 0 3 1,-0.2 4,-2.6 -3,-0.2 5,-0.2 0.938 109.0 53.1 -61.7 -49.5 25.5 -25.8 6.7 265 270 A E H X S+ 0 0 122 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.872 108.9 52.6 -54.4 -36.7 23.1 -28.1 4.9 266 271 A A H < S+ 0 0 76 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.913 109.5 47.2 -65.9 -44.1 23.9 -30.7 7.5 267 272 A L H < S+ 0 0 94 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.870 111.9 50.6 -66.0 -38.4 23.1 -28.3 10.4 268 273 A V H < S+ 0 0 5 -4,-2.6 -2,-0.2 -5,-0.1 -1,-0.2 0.919 81.5 161.0 -66.9 -45.3 19.9 -27.2 8.8 269 274 A G < - 0 0 44 -4,-2.1 2,-0.4 -5,-0.2 -1,-0.1 -0.261 51.9 -41.2 60.2-143.8 18.5 -30.7 8.2 270 275 A R + 0 0 168 -25,-0.0 2,-0.3 -28,-0.0 -1,-0.0 -0.981 60.8 169.1-125.3 134.7 14.8 -31.0 7.7 271 276 A H - 0 0 48 -2,-0.4 -25,-2.7 -30,-0.1 -24,-0.5 -1.000 29.2-125.6-145.8 143.4 12.0 -29.2 9.5 272 277 A S - 0 0 68 -2,-0.3 -27,-0.3 -27,-0.2 2,-0.3 -0.486 41.9 -96.1 -82.6 156.8 8.3 -28.7 9.1 273 278 A R - 0 0 148 -29,-0.2 -29,-0.2 -2,-0.1 -30,-0.1 -0.596 36.9-141.7 -76.2 131.2 6.9 -25.2 9.0 274 279 A K - 0 0 48 -31,-2.7 5,-0.1 -2,-0.3 -1,-0.0 -0.836 18.3-117.6 -98.5 123.4 5.6 -24.1 12.5 275 280 A P > - 0 0 71 0, 0.0 3,-1.4 0, 0.0 4,-0.2 -0.210 20.7-123.4 -55.9 145.7 2.4 -22.0 12.6 276 281 A W G > S+ 0 0 19 1,-0.3 3,-1.9 2,-0.2 4,-0.1 0.853 107.8 64.5 -59.3 -37.2 2.8 -18.5 14.0 277 282 A L G > S+ 0 0 98 1,-0.3 3,-1.9 2,-0.2 -1,-0.3 0.681 82.4 77.6 -62.4 -18.2 0.2 -19.0 16.7 278 283 A K G < S+ 0 0 137 -3,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.689 91.4 56.0 -64.8 -16.5 2.4 -21.7 18.2 279 284 A F G < S+ 0 0 58 -3,-1.9 -1,-0.3 -4,-0.2 2,-0.2 0.394 84.5 108.9 -95.6 1.1 4.4 -18.8 19.7 280 285 A M < + 0 0 83 -3,-1.9 2,-0.3 -4,-0.1 -58,-0.1 -0.564 39.9 156.5 -80.9 143.3 1.4 -17.2 21.4 281 286 A N >> - 0 0 72 -2,-0.2 4,-2.2 -59,-0.0 3,-1.2 -0.917 58.2 -82.4-153.0 175.9 1.2 -17.3 25.2 282 287 A A T 34 S+ 0 0 86 -2,-0.3 4,-0.3 1,-0.3 -2,-0.0 0.756 122.7 59.7 -57.7 -26.8 -0.4 -15.5 28.1 283 288 A D T 34 S+ 0 0 116 1,-0.2 -1,-0.3 2,-0.1 -60,-0.1 0.786 120.5 22.2 -74.1 -27.9 2.4 -12.9 28.1 284 289 A N T X> S+ 0 0 0 -3,-1.2 3,-3.3 -62,-0.1 4,-0.7 0.514 86.0 108.1-118.2 -8.3 1.7 -11.8 24.5 285 290 A Q G >< S+ 0 0 132 -4,-2.2 3,-0.7 1,-0.3 -3,-0.1 0.796 75.8 62.6 -39.5 -41.6 -1.9 -12.7 23.8 286 291 A H G 34 S+ 0 0 100 -4,-0.3 -1,-0.3 1,-0.2 -161,-0.2 0.440 111.8 39.9 -69.4 5.3 -3.0 -9.1 23.9 287 292 A L G <4 S+ 0 0 2 -3,-3.3 2,-0.4 -66,-0.2 -1,-0.2 0.513 91.8 80.7-129.7 -10.1 -0.7 -8.5 20.9 288 293 A V << + 0 0 10 -4,-0.7 -2,-0.1 -3,-0.7 -3,-0.1 -0.252 57.0 156.1-100.5 50.7 -1.0 -11.5 18.5 289 294 A S > - 0 0 34 -2,-0.4 4,-2.1 1,-0.1 3,-0.3 -0.104 58.6-100.4 -66.6 167.6 -4.2 -10.7 16.6 290 295 A P H > S+ 0 0 112 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.859 122.9 54.1 -59.0 -36.8 -4.9 -12.0 13.1 291 296 A E H > S+ 0 0 80 2,-0.2 4,-2.0 1,-0.2 27,-0.2 0.861 108.6 49.2 -66.8 -35.2 -3.9 -8.8 11.4 292 297 A A H > S+ 0 0 0 -3,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.916 112.9 46.1 -69.9 -43.5 -0.5 -8.9 13.2 293 298 A I H X S+ 0 0 28 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.909 112.3 50.8 -65.4 -42.8 0.2 -12.5 12.2 294 299 A D H X S+ 0 0 57 -4,-2.5 4,-1.3 -5,-0.2 -1,-0.2 0.920 113.4 45.7 -61.3 -42.9 -0.9 -11.8 8.6 295 300 A F H < S+ 0 0 0 -4,-2.0 4,-0.4 2,-0.2 3,-0.3 0.936 113.2 48.4 -65.0 -48.7 1.4 -8.8 8.4 296 301 A L H >X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 3,-1.6 0.917 108.9 55.2 -57.5 -44.9 4.4 -10.6 10.0 297 302 A D H 3< S+ 0 0 27 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.822 104.4 52.8 -59.2 -34.8 3.9 -13.6 7.7 298 303 A K T 3< S+ 0 0 71 -4,-1.3 10,-1.7 -3,-0.3 -1,-0.3 0.482 113.1 45.5 -82.0 -2.4 4.1 -11.3 4.6 299 304 A L T <4 S+ 0 0 0 -3,-1.6 2,-1.7 -4,-0.4 -2,-0.2 0.787 102.5 63.6-102.5 -46.0 7.5 -9.9 5.9 300 305 A L < + 0 0 2 -4,-2.6 2,-0.4 -5,-0.1 -1,-0.2 -0.529 69.1 135.3 -86.3 76.1 9.2 -13.1 6.9 301 306 A R - 0 0 64 -2,-1.7 6,-0.2 -3,-0.2 5,-0.1 -0.952 55.8-136.3-119.8 138.9 9.5 -14.9 3.6 302 307 A Y S S+ 0 0 14 -2,-0.4 2,-0.6 1,-0.1 -106,-0.2 0.972 93.4 73.0 -56.8 -55.1 12.7 -16.7 2.5 303 308 A D S >> S- 0 0 9 1,-0.2 3,-2.0 -3,-0.1 4,-0.9 -0.496 73.5-156.1 -65.4 108.7 12.4 -15.2 -1.0 304 309 A H T 34 S+ 0 0 2 -2,-0.6 3,-0.4 1,-0.3 -1,-0.2 0.810 93.2 62.0 -55.9 -30.7 13.3 -11.5 -0.6 305 310 A Q T 34 S+ 0 0 51 1,-0.2 -1,-0.3 -301,-0.1 -2,-0.1 0.701 99.9 55.6 -70.1 -17.1 11.3 -10.8 -3.8 306 311 A E T <4 S+ 0 0 103 -3,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.765 85.6 102.0 -83.9 -30.2 8.1 -12.1 -2.0 307 312 A R S < S- 0 0 4 -4,-0.9 -8,-0.2 -3,-0.4 -9,-0.1 -0.113 82.8 -98.5 -57.3 151.9 8.3 -9.8 1.0 308 313 A L - 0 0 26 -10,-1.7 2,-0.1 -13,-0.2 -1,-0.1 -0.386 37.5-121.9 -67.3 148.8 6.1 -6.7 1.2 309 314 A T > - 0 0 26 1,-0.1 4,-2.7 -3,-0.1 5,-0.2 -0.478 28.8-105.9 -83.7 166.0 7.8 -3.5 0.2 310 315 A A H > S+ 0 0 2 1,-0.2 4,-2.0 2,-0.2 -170,-0.2 0.909 123.1 52.2 -60.3 -40.0 7.9 -0.7 2.8 311 316 A L H > S+ 0 0 90 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.923 111.0 46.4 -61.7 -44.9 5.2 1.1 0.9 312 317 A E H >> S+ 0 0 83 1,-0.2 3,-1.1 2,-0.2 4,-0.6 0.927 108.5 55.9 -62.0 -46.8 2.9 -1.9 0.8 313 318 A A H >< S+ 0 0 0 -4,-2.7 3,-1.7 1,-0.3 6,-0.2 0.902 101.6 57.4 -53.1 -45.5 3.5 -2.7 4.5 314 319 A M H 3< S+ 0 0 22 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.772 106.6 49.5 -58.6 -27.8 2.3 0.8 5.5 315 320 A T H << S+ 0 0 88 -3,-1.1 -1,-0.3 -4,-0.8 -2,-0.2 0.485 80.9 120.4 -92.1 -2.7 -1.0 0.2 3.7 316 321 A H S X< S- 0 0 13 -3,-1.7 3,-2.4 -4,-0.6 4,-0.2 -0.367 76.0-118.7 -62.2 138.7 -1.6 -3.2 5.4 317 322 A P G > S+ 0 0 67 0, 0.0 3,-2.1 0, 0.0 4,-0.3 0.724 107.5 79.5 -50.5 -25.1 -4.9 -3.1 7.5 318 323 A Y G 3 S+ 0 0 0 1,-0.3 3,-0.3 -27,-0.2 4,-0.2 0.853 99.8 40.8 -53.1 -33.5 -2.9 -3.8 10.6 319 324 A F G <> S+ 0 0 0 -3,-2.4 4,-2.5 -6,-0.2 3,-0.4 0.323 80.0 113.8 -98.5 8.1 -2.0 -0.1 10.5 320 325 A Q H <> S+ 0 0 109 -3,-2.1 4,-2.5 1,-0.2 5,-0.2 0.839 78.2 48.0 -50.2 -39.4 -5.5 1.2 9.6 321 326 A Q H > S+ 0 0 108 -4,-0.3 4,-2.7 -3,-0.3 -1,-0.2 0.901 110.4 50.9 -70.2 -39.9 -6.1 3.0 12.9 322 327 A V H > S+ 0 0 3 -3,-0.4 4,-2.2 2,-0.2 -2,-0.2 0.922 113.4 47.0 -61.4 -43.5 -2.6 4.7 12.8 323 328 A R H X S+ 0 0 57 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.949 112.4 47.7 -63.4 -51.0 -3.4 5.9 9.3 324 329 A A H < S+ 0 0 52 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.915 113.0 50.2 -56.8 -42.9 -6.9 7.1 10.1 325 330 A A H >< S+ 0 0 51 -4,-2.7 3,-0.5 1,-0.2 -1,-0.2 0.886 111.3 48.4 -63.0 -39.2 -5.4 8.9 13.2 326 331 A E H 3< S+ 0 0 91 -4,-2.2 2,-1.5 1,-0.3 -2,-0.2 0.869 100.1 65.8 -69.7 -37.4 -2.7 10.5 11.1 327 332 A N T 3< 0 0 131 -4,-2.8 -1,-0.3 1,-0.2 -2,-0.1 -0.169 360.0 360.0 -79.2 45.2 -5.3 11.6 8.5 328 333 A S < 0 0 140 -2,-1.5 -1,-0.2 -3,-0.5 -2,-0.2 0.434 360.0 360.0-145.8 360.0 -6.7 13.9 11.1