==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 01-NOV-99 1DAW . 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) . 15421.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 225 68.8 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 . 28 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 100 30.6 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 3 0 1 1 2 0 0 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 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 39 0, 0.0 178,-0.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 138.5 17.7 -11.2 -8.1 2 8 A K - 0 0 119 176,-0.1 2,-0.3 177,-0.1 202,-0.1 -0.945 360.0 -89.2-136.5 161.4 16.8 -7.5 -8.5 3 9 A A - 0 0 10 -2,-0.3 4,-0.2 1,-0.1 301,-0.1 -0.583 24.1-146.7 -73.0 141.3 14.7 -5.1 -6.4 4 10 A R S S+ 0 0 149 -2,-0.3 2,-0.3 2,-0.1 -1,-0.1 0.648 84.2 30.0 -80.8 -18.4 11.0 -5.0 -7.3 5 11 A V S S+ 0 0 57 1,-0.1 200,-0.2 2,-0.0 -1,-0.0 -0.956 121.2 11.9-136.5 157.5 10.8 -1.3 -6.5 6 12 A Y S S+ 0 0 65 -2,-0.3 3,-0.5 1,-0.1 4,-0.3 0.783 74.9 140.5 49.2 35.4 13.2 1.7 -6.6 7 13 A A + 0 0 30 1,-0.2 4,-0.3 -4,-0.2 3,-0.2 0.760 67.2 46.1 -74.9 -30.4 15.7 -0.3 -8.6 8 14 A D S > S+ 0 0 81 1,-0.1 4,-3.2 2,-0.1 -1,-0.2 0.324 76.8 106.0 -97.0 4.9 16.7 2.6 -10.9 9 15 A V T 4 S+ 0 0 11 -3,-0.5 4,-0.5 2,-0.2 -1,-0.1 0.911 91.7 32.1 -53.3 -53.6 17.2 5.4 -8.4 10 16 A N T >4 S+ 0 0 0 166,-0.5 3,-1.9 -4,-0.3 -1,-0.2 0.962 116.1 60.0 -71.2 -44.5 21.0 5.4 -8.5 11 17 A V T 34 S+ 0 0 92 -4,-0.3 -2,-0.2 1,-0.3 -1,-0.2 0.884 113.0 37.8 -41.8 -58.4 20.9 4.4 -12.2 12 18 A L T 3< S+ 0 0 120 -4,-3.2 -1,-0.3 2,-0.1 -2,-0.2 0.485 106.6 80.6 -77.7 -9.1 19.0 7.5 -13.0 13 19 A R S < S- 0 0 80 -3,-1.9 5,-0.1 -4,-0.5 -3,-0.0 -0.648 92.1 -87.9 -99.0 161.2 20.8 9.9 -10.6 14 20 A P >> - 0 0 78 0, 0.0 3,-1.3 0, 0.0 4,-0.8 -0.289 37.9-112.4 -59.5 149.8 24.1 11.6 -11.2 15 21 A K H >> S+ 0 0 130 1,-0.3 4,-2.2 2,-0.2 3,-0.6 0.840 113.9 63.7 -53.5 -36.8 27.3 9.7 -10.1 16 22 A E H 34 S+ 0 0 146 1,-0.2 -1,-0.3 2,-0.2 6,-0.1 0.820 92.0 64.5 -60.8 -32.0 28.0 12.2 -7.3 17 23 A Y H <4 S+ 0 0 28 -3,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.909 121.8 18.4 -53.2 -51.1 24.7 11.2 -5.5 18 24 A W H << S+ 0 0 68 -4,-0.8 2,-2.0 -3,-0.6 -2,-0.2 0.493 98.1 97.3-104.3 -7.6 26.0 7.7 -4.9 19 25 A D >< + 0 0 34 -4,-2.2 3,-1.0 1,-0.2 -1,-0.1 -0.496 41.8 162.1 -83.7 76.8 29.8 8.1 -5.4 20 26 A Y G > + 0 0 20 -2,-2.0 3,-2.1 1,-0.3 -1,-0.2 0.754 64.0 69.9 -73.1 -19.4 30.7 8.4 -1.7 21 27 A E G 3 S+ 0 0 96 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.807 99.4 54.7 -68.8 -20.6 34.4 7.5 -2.1 22 28 A A G < S+ 0 0 64 -3,-1.0 -1,-0.3 -6,-0.1 -2,-0.2 0.291 81.2 132.7 -84.0 6.3 34.5 11.0 -3.9 23 29 A L < - 0 0 21 -3,-2.1 2,-0.5 1,-0.1 50,-0.1 -0.267 44.4-154.6 -59.7 149.2 32.9 12.8 -0.9 24 30 A T - 0 0 99 49,-0.1 2,-0.1 2,-0.0 -1,-0.1 -0.913 13.5-143.7-126.6 100.0 34.7 16.0 0.3 25 31 A V - 0 0 29 -2,-0.5 2,-0.7 1,-0.1 48,-0.0 -0.426 3.8-154.2 -66.4 136.5 34.0 16.7 3.9 26 32 A Q - 0 0 153 -2,-0.1 68,-0.3 69,-0.0 -1,-0.1 -0.845 27.2-141.6-112.4 85.2 33.6 20.4 4.9 27 33 A W - 0 0 94 -2,-0.7 68,-0.2 1,-0.1 2,-0.1 -0.128 11.9-151.3 -57.5 143.0 34.6 20.2 8.5 28 34 A G - 0 0 28 66,-3.3 2,-0.8 1,-0.1 68,-0.4 -0.202 40.0 -67.5 -93.8-165.6 33.0 22.2 11.2 29 35 A E > - 0 0 106 1,-0.2 3,-2.2 66,-0.1 4,-0.4 -0.759 33.1-155.6 -94.3 109.6 34.4 23.5 14.5 30 36 A Q G > S+ 0 0 61 -2,-0.8 3,-1.0 66,-0.3 -1,-0.2 0.848 91.9 61.4 -52.6 -36.8 35.3 20.8 17.0 31 37 A D G 3 S+ 0 0 119 1,-0.2 -1,-0.3 -3,-0.1 22,-0.1 0.604 84.5 75.5 -66.9 -20.0 34.9 23.2 19.9 32 38 A D G < S+ 0 0 37 -3,-2.2 21,-4.0 1,-0.1 2,-0.5 0.726 94.2 56.9 -62.5 -26.3 31.1 24.0 19.2 33 39 A Y E < -A 52 0A 29 -3,-1.0 2,-0.5 -4,-0.4 19,-0.2 -0.937 69.0-165.9-112.4 122.5 30.1 20.7 20.7 34 40 A E E -A 51 0A 112 17,-2.5 17,-1.2 -2,-0.5 2,-0.4 -0.910 23.4-119.9-113.1 137.0 31.0 19.5 24.2 35 41 A V E +A 50 0A 74 -2,-0.5 15,-0.3 15,-0.2 3,-0.1 -0.494 32.0 170.8 -65.9 119.0 30.7 15.9 25.6 36 42 A V E - 0 0 81 13,-2.5 2,-0.2 -2,-0.4 14,-0.2 0.762 62.7 -20.0-100.9 -38.0 28.3 15.7 28.5 37 43 A R E -A 49 0A 129 12,-1.5 12,-2.7 0, 0.0 -1,-0.3 -0.797 66.1-100.5-174.5 135.1 27.9 11.9 29.1 38 44 A K E +A 48 0A 102 10,-0.2 10,-0.3 -2,-0.2 3,-0.1 -0.378 37.0 168.8 -61.8 131.5 28.4 8.6 27.3 39 45 A V E - 0 0 64 8,-2.3 2,-0.3 1,-0.3 9,-0.2 0.518 58.4 -17.5-119.4 -16.0 25.1 7.1 25.9 40 46 A G E -A 47 0A 25 7,-1.7 7,-2.1 2,-0.0 -1,-0.3 -0.984 51.1-163.8-173.4 179.5 26.2 4.3 23.6 41 47 A R E -A 46 0A 187 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.920 3.7-160.9-162.8-178.8 28.9 2.7 21.6 42 48 A G E > -A 45 0A 26 3,-1.8 3,-1.0 -2,-0.3 -2,-0.0 -0.898 49.9 -93.0-160.4 172.7 29.6 0.2 18.8 43 49 A K T 3 S+ 0 0 160 -2,-0.3 3,-0.1 1,-0.3 0, 0.0 0.583 131.9 47.7 -62.6 -19.9 32.8 -1.7 17.8 44 50 A Y T 3 S+ 0 0 97 1,-0.1 21,-2.5 20,-0.0 2,-0.3 0.479 118.6 0.1 -96.5 -24.2 33.0 1.4 15.5 45 51 A S E < -AB 42 64A 7 -3,-1.0 -3,-1.8 19,-0.2 2,-0.4 -0.987 51.2-117.8-162.2 177.6 32.4 4.4 17.9 46 52 A E E -AB 41 63A 70 17,-2.2 17,-3.5 -2,-0.3 2,-0.4 -0.978 30.7-160.7-128.9 129.3 31.6 6.1 21.1 47 53 A V E -AB 40 62A 27 -7,-2.1 -8,-2.3 -2,-0.4 -7,-1.7 -0.972 11.3-179.5-123.0 126.6 28.4 8.1 21.3 48 54 A F E -AB 38 61A 26 13,-2.0 13,-2.9 -2,-0.4 2,-0.4 -0.985 35.6-115.1-129.2 145.5 27.8 10.8 23.8 49 55 A E E -AB 37 60A 15 -12,-2.7 -13,-2.5 -2,-0.3 -12,-1.5 -0.697 50.7-179.0 -72.4 128.2 25.0 13.2 24.7 50 56 A G E -AB 35 59A 2 9,-2.9 9,-1.7 -2,-0.4 2,-0.4 -0.553 24.4-128.0-119.5-172.0 26.7 16.6 23.9 51 57 A I E -AB 34 58A 37 -17,-1.2 -17,-2.5 7,-0.3 2,-0.7 -0.982 19.1-126.6-139.4 135.3 25.7 20.2 24.1 52 58 A N E >> -A 33 0A 24 5,-2.5 4,-1.9 -2,-0.4 3,-0.5 -0.841 20.4-154.9 -82.9 114.1 26.0 22.7 21.3 53 59 A V T 34 S+ 0 0 57 -21,-4.0 -1,-0.2 -2,-0.7 -20,-0.1 0.870 87.1 59.4 -63.6 -30.3 28.0 25.5 23.0 54 60 A N T 34 S+ 0 0 109 -22,-0.4 -1,-0.2 1,-0.2 -21,-0.1 0.803 126.8 10.0 -72.0 -26.8 26.6 28.2 20.6 55 61 A N T <4 S- 0 0 77 -3,-0.5 -1,-0.2 2,-0.1 -2,-0.2 0.286 94.5-122.0-130.4 0.6 22.9 27.7 21.5 56 62 A N < + 0 0 123 -4,-1.9 2,-0.2 1,-0.2 -3,-0.1 0.564 61.9 139.0 71.1 8.4 22.9 25.4 24.5 57 63 A E - 0 0 125 -5,-0.3 -5,-2.5 1,-0.1 -1,-0.2 -0.544 58.6-101.4 -86.4 153.4 20.8 22.6 23.0 58 64 A K E +B 51 0A 126 -7,-0.2 51,-0.5 -2,-0.2 -7,-0.3 -0.392 46.8 171.2 -67.0 151.2 21.4 18.9 23.5 59 65 A C E -BC 50 108A 3 -9,-1.7 -9,-2.9 49,-0.2 2,-0.4 -0.840 31.1-113.0-145.1 178.4 23.1 17.1 20.6 60 66 A I E -BC 49 107A 25 47,-3.0 47,-2.5 -2,-0.3 2,-0.6 -0.984 20.4-159.9-119.3 135.9 24.6 13.7 19.9 61 67 A I E -BC 48 106A 7 -13,-2.9 -13,-2.0 -2,-0.4 2,-0.8 -0.950 1.7-166.3-117.3 120.0 28.4 13.3 19.3 62 68 A K E -BC 47 105A 18 43,-3.4 43,-2.7 -2,-0.6 2,-0.7 -0.884 8.5-159.6-107.1 100.0 29.4 10.1 17.5 63 69 A I E -BC 46 104A 44 -17,-3.5 -17,-2.2 -2,-0.8 2,-0.2 -0.783 14.9-142.9 -85.1 113.6 33.2 9.7 17.9 64 70 A L E -B 45 0A 10 39,-2.6 -19,-0.2 -2,-0.7 3,-0.1 -0.574 4.5-138.6 -80.8 140.9 34.4 7.4 15.1 65 71 A K - 0 0 68 -21,-2.5 2,-0.1 -2,-0.2 -1,-0.1 -0.456 44.1 -72.6 -91.7 161.4 37.2 4.8 15.6 66 72 A P S S+ 0 0 131 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.417 71.0 142.3 -63.1 124.3 39.9 4.2 13.0 67 73 A V - 0 0 55 -2,-0.1 5,-0.1 -3,-0.1 -3,-0.0 -0.913 63.5 -59.3-149.9 166.2 38.5 2.3 10.1 68 74 A K >> - 0 0 115 -2,-0.3 4,-0.7 1,-0.2 3,-0.6 -0.131 53.5-121.5 -48.9 146.6 39.1 2.5 6.3 69 75 A K H 3> S+ 0 0 126 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.679 108.0 66.3 -66.5 -20.9 38.3 6.1 5.2 70 76 A K H 3> S+ 0 0 71 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.899 94.2 58.6 -70.0 -35.7 35.6 4.8 2.7 71 77 A K H <> S+ 0 0 34 -3,-0.6 4,-1.6 1,-0.2 -1,-0.2 0.823 108.8 45.1 -60.9 -35.0 33.5 3.6 5.6 72 78 A I H X S+ 0 0 28 -4,-0.7 4,-1.9 2,-0.2 -1,-0.2 0.889 111.5 50.5 -78.8 -40.9 33.3 7.1 7.1 73 79 A K H X S+ 0 0 37 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.911 109.6 54.0 -61.5 -41.9 32.6 8.8 3.7 74 80 A R H X S+ 0 0 31 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.966 108.3 46.4 -57.5 -55.7 29.8 6.3 3.1 75 81 A E H X S+ 0 0 9 -4,-1.6 4,-2.1 1,-0.2 -1,-0.2 0.864 116.0 46.9 -58.8 -38.7 27.9 7.0 6.4 76 82 A I H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.914 110.6 50.0 -69.0 -48.0 28.3 10.7 5.9 77 83 A K H X S+ 0 0 34 -4,-2.7 4,-2.6 -5,-0.2 -2,-0.2 0.938 111.6 49.4 -60.6 -42.6 27.1 10.7 2.3 78 84 A I H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 5,-0.2 0.952 109.7 51.1 -62.9 -46.5 24.0 8.6 3.2 79 85 A L H X S+ 0 0 1 -4,-2.1 4,-1.7 1,-0.2 12,-0.3 0.874 112.5 46.3 -56.1 -41.7 23.2 11.0 6.1 80 86 A Q H < S+ 0 0 90 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.880 111.3 52.7 -69.8 -33.6 23.4 14.0 3.7 81 87 A N H < S+ 0 0 24 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.905 120.1 32.7 -70.6 -34.7 21.3 12.2 1.1 82 88 A L H >< S+ 0 0 0 -4,-2.5 3,-2.7 -5,-0.1 -1,-0.2 0.611 82.4 127.5 -95.1 -14.8 18.5 11.4 3.5 83 89 A C T 3< S+ 0 0 49 -4,-1.7 7,-0.1 1,-0.3 6,-0.1 -0.216 78.1 26.6 -47.4 118.3 18.7 14.5 5.8 84 90 A G T 3 S+ 0 0 57 4,-0.4 -1,-0.3 1,-0.4 3,-0.1 0.119 91.1 127.8 112.1 -20.3 15.2 15.9 5.9 85 91 A G S X S- 0 0 9 -3,-2.7 3,-1.9 1,-0.2 -1,-0.4 -0.237 76.1 -74.0 -65.6 154.5 13.3 12.6 5.2 86 92 A P T 3 S- 0 0 58 0, 0.0 -1,-0.2 0, 0.0 54,-0.2 -0.293 112.3 -12.3 -56.0 121.6 10.6 11.4 7.5 87 93 A N T 3 S+ 0 0 22 1,-0.2 80,-3.1 -3,-0.1 2,-0.6 0.674 93.6 143.6 61.9 22.8 12.0 10.2 10.7 88 94 A I B < -e 167 0B 3 -3,-1.9 -4,-0.4 78,-0.2 -1,-0.2 -0.817 59.8-108.4 -93.1 124.0 15.6 10.1 9.5 89 95 A V - 0 0 5 78,-2.0 2,-0.6 -2,-0.6 -4,-0.1 -0.187 37.5-120.3 -46.7 136.6 18.1 11.1 12.2 90 96 A K - 0 0 85 -7,-0.1 18,-2.1 -6,-0.1 2,-0.6 -0.780 14.4-149.1 -92.0 123.3 19.5 14.5 11.4 91 97 A L E +D 107 0A 19 -2,-0.6 16,-0.3 -12,-0.3 3,-0.1 -0.819 19.5 177.2 -84.4 113.6 23.2 14.9 10.8 92 98 A L E - 0 0 94 14,-2.8 2,-0.3 -2,-0.6 15,-0.2 0.765 55.7 -11.1 -94.2 -35.5 24.1 18.5 12.0 93 99 A D E -D 106 0A 35 13,-1.4 13,-2.9 -65,-0.1 2,-0.4 -0.984 48.1-140.8-162.5 162.6 27.8 18.8 11.6 94 100 A I E +D 105 0A 10 -2,-0.3 -66,-3.3 -68,-0.3 2,-0.3 -0.984 31.9 167.2-132.8 123.2 31.0 16.8 11.0 95 101 A V E -D 104 0A 7 9,-2.1 9,-3.2 -2,-0.4 2,-0.3 -0.968 17.2-154.5-140.5 156.8 34.1 17.8 13.0 96 102 A R E -D 103 0A 92 -68,-0.4 2,-0.5 -2,-0.3 -66,-0.3 -0.897 27.7-107.1-133.8 158.1 37.6 16.4 13.7 97 103 A D > - 0 0 61 5,-1.1 4,-2.6 -2,-0.3 5,-0.2 -0.812 28.7-140.5 -79.4 124.3 40.3 16.6 16.4 98 104 A Q T 4 S+ 0 0 141 -2,-0.5 -1,-0.2 2,-0.2 0, 0.0 0.960 96.9 46.6 -50.7 -57.3 43.1 18.7 15.0 99 105 A H T 4 S+ 0 0 180 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.922 132.5 13.8 -54.4 -60.3 45.8 16.6 16.5 100 106 A S T 4 S- 0 0 73 2,-0.1 -1,-0.2 0, 0.0 -2,-0.2 0.512 90.7-131.7 -93.9 -11.1 44.6 13.1 15.7 101 107 A K < + 0 0 100 -4,-2.6 -3,-0.1 1,-0.2 -2,-0.1 0.869 41.6 172.4 58.7 37.8 42.0 14.0 13.0 102 108 A T - 0 0 50 -5,-0.2 -5,-1.1 1,-0.0 2,-0.2 -0.707 28.2-132.5 -76.2 116.0 39.6 11.7 14.8 103 109 A P E - D 0 96A 17 0, 0.0 -39,-2.6 0, 0.0 2,-0.4 -0.521 22.6-169.7 -77.8 138.2 36.2 12.4 13.1 104 110 A S E -CD 63 95A 16 -9,-3.2 -9,-2.1 -2,-0.2 2,-0.5 -0.988 11.7-146.3-125.5 134.1 33.1 13.0 15.1 105 111 A L E -CD 62 94A 0 -43,-2.7 -43,-3.4 -2,-0.4 2,-0.5 -0.885 12.3-149.2-102.9 133.4 29.5 13.1 13.7 106 112 A I E +CD 61 93A 0 -13,-2.9 -14,-2.8 -2,-0.5 -13,-1.4 -0.885 22.4 173.4-104.5 128.3 27.1 15.5 15.3 107 113 A F E -CD 60 91A 12 -47,-2.5 -47,-3.0 -2,-0.5 -16,-0.2 -0.871 39.2 -86.0-127.8 163.9 23.4 14.6 15.3 108 114 A E E -C 59 0A 29 -18,-2.1 2,-0.5 -2,-0.3 -49,-0.2 -0.289 51.1-114.6 -60.5 156.3 20.1 15.8 16.8 109 115 A Y - 0 0 35 -51,-0.5 2,-0.5 -50,-0.1 -1,-0.1 -0.824 27.0-164.9 -97.2 126.1 19.6 14.5 20.2 110 116 A V - 0 0 10 -2,-0.5 2,-2.1 -51,-0.0 48,-0.1 -0.967 22.0-133.0-110.5 131.6 16.6 12.1 20.7 111 117 A N - 0 0 86 -2,-0.5 49,-0.3 46,-0.1 50,-0.2 -0.478 41.1-170.4 -84.5 80.5 15.6 11.5 24.3 112 118 A N - 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0 0 81 -5,-2.3 -1,-0.2 -6,-0.2 -2,-0.1 -0.785 51.9-136.1-154.8 102.0 10.2 -12.1 22.9 224 230 A E S S+ 0 0 84 -2,-0.3 2,-0.1 1,-0.2 -9,-0.0 -0.938 89.7 9.7-118.7 124.9 13.6 -10.4 22.3 225 231 A P S S- 0 0 14 0, 0.0 3,-0.2 0, 0.0 -1,-0.2 0.721 78.7-156.7 -81.8 163.6 15.2 -11.2 20.1 226 232 A F S S+ 0 0 9 -12,-0.3 2,-0.8 1,-0.2 -2,-0.1 0.864 89.7 43.5 -73.2 -34.5 12.6 -13.4 18.4 227 233 A F S S- 0 0 3 -37,-0.3 2,-1.0 -4,-0.1 -1,-0.2 -0.888 79.3-174.4-109.6 94.6 15.1 -15.5 16.5 228 234 A Y + 0 0 126 -2,-0.8 2,-0.4 -3,-0.2 -38,-0.1 -0.684 14.8 157.2-103.4 84.7 17.8 -16.2 19.1 229 235 A G - 0 0 0 -2,-1.0 6,-0.1 1,-0.1 -2,-0.1 -0.836 39.7-141.3-105.7 145.3 20.8 -18.0 17.6 230 236 A H S S+ 0 0 129 -2,-0.4 2,-0.3 -41,-0.0 -1,-0.1 0.760 83.2 2.4 -75.0 -31.1 24.3 -18.0 18.9 231 237 A D S > S- 0 0 87 1,-0.2 4,-1.9 -42,-0.1 5,-0.1 -0.874 89.9 -84.6-147.2 176.4 26.1 -17.8 15.5 232 238 A N H >> S+ 0 0 67 -2,-0.3 3,-2.1 2,-0.2 4,-1.9 0.967 124.9 49.1 -53.1 -64.6 25.2 -17.5 11.8 233 239 A H H 3> S+ 0 0 64 1,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.857 114.7 46.8 -39.4 -50.8 24.6 -21.2 11.2 234 240 A D H 3> S+ 0 0 37 2,-0.2 4,-2.7 1,-0.2 -1,-0.3 0.816 105.5 60.3 -64.0 -30.6 22.4 -21.4 14.3 235 241 A Q H X S+ 0 0 0 -4,-2.0 3,-2.8 -5,-0.2 4,-2.1 1.000 111.5 50.2 -61.0 -56.8 14.7 -19.4 11.3 240 246 A A H 3X S+ 0 0 0 -4,-3.0 4,-1.6 1,-0.3 -2,-0.2 0.792 104.0 59.1 -55.3 -29.2 14.2 -22.9 9.8 241 247 A K H 3< S+ 0 0 94 -4,-2.4 -1,-0.3 2,-0.2 -2,-0.2 0.676 115.4 35.3 -72.6 -18.6 12.6 -24.2 13.0 242 248 A V H << S+ 0 0 15 -3,-2.8 31,-2.7 -4,-0.6 -2,-0.2 0.853 124.3 36.7 -96.2 -50.1 9.8 -21.6 12.8 243 249 A L H < S- 0 0 10 -4,-2.1 4,-0.3 29,-0.2 29,-0.3 0.585 108.6-118.7 -80.9 -13.5 9.2 -21.2 9.0 244 250 A G X - 0 0 3 -4,-1.6 4,-0.6 -5,-0.4 27,-0.2 0.219 14.0-105.7 85.9 154.0 9.7 -24.9 8.1 245 251 A T H > S+ 0 0 3 25,-2.1 4,-2.5 2,-0.2 5,-0.2 0.625 110.6 72.0 -92.4 -12.7 12.3 -26.3 5.8 246 252 A D H > S+ 0 0 115 24,-0.5 4,-2.8 1,-0.2 5,-0.2 0.986 100.7 47.3 -61.5 -52.0 10.0 -27.0 2.9 247 253 A G H > S+ 0 0 30 -4,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.868 110.8 52.7 -54.3 -40.7 9.8 -23.2 2.3 248 254 A L H X S+ 0 0 0 -4,-0.6 4,-4.1 2,-0.2 -1,-0.2 0.923 108.6 48.2 -64.6 -46.5 13.6 -23.0 2.6 249 255 A N H X S+ 0 0 46 -4,-2.5 4,-2.4 2,-0.2 5,-0.3 0.941 110.6 51.6 -62.6 -42.1 14.2 -25.7 -0.1 250 256 A V H X S+ 0 0 107 -4,-2.8 4,-2.1 -5,-0.2 -2,-0.2 0.986 115.5 44.2 -52.2 -57.0 11.6 -24.0 -2.4 251 257 A Y H X S+ 0 0 5 -4,-2.5 4,-1.8 -5,-0.2 3,-0.4 0.942 110.5 51.1 -52.5 -60.3 13.7 -20.8 -1.8 252 258 A L H X>S+ 0 0 9 -4,-4.1 5,-2.8 1,-0.2 4,-0.8 0.927 114.1 45.3 -48.5 -47.7 17.2 -22.3 -2.2 253 259 A N H <5S+ 0 0 128 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.838 105.3 61.1 -70.7 -26.3 16.3 -23.9 -5.5 254 260 A K H <5S+ 0 0 107 -4,-2.1 -1,-0.2 -3,-0.4 -2,-0.2 0.937 116.9 31.2 -61.9 -45.7 14.5 -20.8 -6.8 255 261 A Y H <5S- 0 0 39 -4,-1.8 -1,-0.2 -3,-0.1 -2,-0.2 0.460 115.0-112.5 -95.2 4.7 17.8 -18.8 -6.5 256 262 A R T <5 + 0 0 227 -4,-0.8 2,-0.5 -5,-0.2 -3,-0.2 0.975 60.8 157.2 65.6 55.6 20.1 -21.8 -7.3 257 263 A I < - 0 0 26 -5,-2.8 2,-0.5 -6,-0.1 -1,-0.2 -0.957 28.1-167.2-120.1 126.2 21.6 -22.0 -3.8 258 264 A E - 0 0 183 -2,-0.5 2,-0.1 -60,-0.1 6,-0.0 -0.932 21.8-136.4-111.5 120.0 23.3 -25.0 -2.3 259 265 A L - 0 0 15 -2,-0.5 -61,-0.1 1,-0.1 -60,-0.0 -0.352 31.3 -90.1 -68.3 159.4 23.9 -24.8 1.5 260 266 A D > - 0 0 78 1,-0.1 4,-3.7 -2,-0.1 3,-0.2 -0.522 41.9-126.4 -64.8 133.2 27.1 -25.9 3.1 261 267 A P H > S+ 0 0 89 0, 0.0 4,-2.5 0, 0.0 -1,-0.1 0.795 108.6 52.7 -60.2 -30.3 26.4 -29.5 4.0 262 268 A Q H > S+ 0 0 118 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.930 115.1 43.3 -68.2 -41.4 27.3 -29.1 7.7 263 269 A L H >> S+ 0 0 5 2,-0.2 4,-2.9 1,-0.2 3,-0.7 0.972 111.7 54.2 -61.1 -52.4 24.9 -26.2 7.8 264 270 A E H 3X S+ 0 0 105 -4,-3.7 4,-2.1 1,-0.3 -2,-0.2 0.874 110.2 47.2 -49.6 -43.6 22.4 -28.3 5.8 265 271 A A H 3< S+ 0 0 81 -4,-2.5 -1,-0.3 2,-0.2 -2,-0.2 0.776 110.1 51.4 -73.6 -28.0 22.7 -31.0 8.4 266 272 A L H << S+ 0 0 90 -4,-1.6 -2,-0.2 -3,-0.7 -1,-0.2 0.896 110.0 51.1 -68.7 -46.7 22.2 -28.5 11.3 267 273 A V H < S+ 0 0 3 -4,-2.9 2,-0.2 1,-0.2 -2,-0.2 0.981 84.9 159.1 -51.7 -62.2 19.1 -27.1 9.7 268 274 A G < - 0 0 26 -4,-2.1 2,-0.4 -5,-0.2 -1,-0.2 -0.535 51.4 -40.2 75.7-135.6 17.6 -30.6 9.2 269 275 A R + 0 0 154 -2,-0.2 2,-0.4 -4,-0.1 -1,-0.0 -0.994 60.0 168.3-140.4 116.8 13.9 -30.9 8.6 270 276 A H - 0 0 50 -2,-0.4 -25,-2.1 -30,-0.1 -24,-0.5 -1.000 30.7-126.8-131.5 137.5 11.2 -28.9 10.5 271 277 A S - 0 0 81 -2,-0.4 -27,-0.4 -27,-0.2 2,-0.1 -0.520 42.6 -95.7 -77.7 149.6 7.5 -28.5 9.9 272 278 A R - 0 0 110 -29,-0.3 -29,-0.2 -2,-0.2 -30,-0.1 -0.464 36.5-141.6 -61.8 137.7 6.3 -24.9 9.7 273 279 A K - 0 0 63 -31,-2.7 -1,-0.1 -2,-0.1 -3,-0.0 -0.932 19.4-121.6-104.8 118.1 5.0 -23.8 13.1 274 280 A P > - 0 0 71 0, 0.0 3,-1.0 0, 0.0 4,-0.1 -0.138 24.6-114.6 -50.2 155.7 1.9 -21.6 12.7 275 281 A W G > S+ 0 0 10 1,-0.2 3,-1.4 2,-0.1 4,-0.1 0.791 107.9 68.8 -65.6 -32.7 2.4 -18.1 14.3 276 282 A L G > S+ 0 0 90 1,-0.3 3,-2.4 2,-0.2 -1,-0.2 0.703 77.4 80.1 -67.0 -15.9 -0.2 -18.6 17.0 277 283 A K G < S+ 0 0 162 -3,-1.0 -1,-0.3 1,-0.3 -2,-0.1 0.486 91.0 54.7 -68.1 -3.2 1.9 -21.2 18.8 278 284 A F G < S+ 0 0 37 -3,-1.4 -1,-0.3 -4,-0.1 2,-0.2 0.341 83.5 113.0-105.2 -2.8 3.9 -18.2 20.3 279 285 A M < + 0 0 78 -3,-2.4 2,-0.3 -4,-0.1 -58,-0.1 -0.524 42.6 153.1 -72.6 138.2 0.7 -16.7 21.7 280 286 A N > - 0 0 77 -2,-0.2 4,-2.0 1,-0.1 3,-0.3 -0.890 57.6 -75.8-150.2-176.0 0.6 -16.7 25.5 281 287 A A T 4 S+ 0 0 89 -2,-0.3 3,-0.5 1,-0.2 4,-0.4 0.953 125.1 44.4 -49.5 -60.8 -0.8 -14.9 28.6 282 288 A D T 4 S+ 0 0 95 1,-0.2 -1,-0.2 2,-0.1 3,-0.1 0.731 123.2 33.7 -59.2 -33.1 1.6 -12.0 28.4 283 289 A N T >> S+ 0 0 0 -3,-0.3 3,-2.2 -62,-0.1 4,-0.8 0.518 85.6 94.3-109.0 -4.5 1.3 -11.3 24.6 284 290 A Q T 3< S+ 0 0 129 -4,-2.0 3,-0.3 -3,-0.5 -2,-0.1 0.816 78.9 64.4 -65.8 -21.6 -2.3 -12.2 23.6 285 291 A H T 34 S+ 0 0 106 -4,-0.4 -1,-0.3 1,-0.2 -161,-0.1 0.552 113.5 37.5 -73.5 -2.1 -3.5 -8.6 24.0 286 292 A L T <4 S+ 0 0 1 -3,-2.2 -2,-0.2 -66,-0.2 -1,-0.2 0.593 96.8 78.8-123.0 -11.3 -1.1 -8.0 21.1 287 293 A V < + 0 0 5 -4,-0.8 5,-0.2 -3,-0.3 -2,-0.1 -0.004 57.9 149.4 -92.3 28.0 -1.3 -11.0 18.7 288 294 A S > - 0 0 44 -4,-0.1 4,-2.3 3,-0.1 3,-0.3 0.129 62.1 -90.1 -59.6 175.0 -4.5 -10.5 16.6 289 295 A P H > S+ 0 0 109 0, 0.0 4,-2.7 0, 0.0 5,-0.1 0.810 124.0 49.9 -53.3 -42.1 -5.2 -11.6 13.1 290 296 A E H > S+ 0 0 71 2,-0.2 4,-3.0 3,-0.2 27,-0.2 0.885 110.1 50.9 -69.3 -35.9 -4.0 -8.4 11.4 291 297 A A H > S+ 0 0 0 -3,-0.3 4,-3.6 2,-0.2 5,-0.3 0.966 115.1 42.9 -60.7 -53.9 -0.7 -8.5 13.3 292 298 A I H X S+ 0 0 29 -4,-2.3 4,-3.1 2,-0.2 5,-0.2 0.952 114.0 51.1 -59.5 -46.2 -0.1 -12.1 12.3 293 299 A D H X S+ 0 0 58 -4,-2.7 4,-1.1 -5,-0.3 -2,-0.2 0.958 115.0 43.2 -59.0 -45.6 -1.2 -11.4 8.7 294 300 A F H >< S+ 0 0 0 -4,-3.0 3,-0.6 2,-0.2 4,-0.3 0.943 114.5 48.9 -62.9 -51.3 1.2 -8.5 8.5 295 301 A L H >X S+ 0 0 0 -4,-3.6 4,-2.6 1,-0.2 3,-2.4 0.939 106.6 57.4 -56.0 -47.1 4.1 -10.4 10.2 296 302 A D H 3< S+ 0 0 26 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.816 105.1 50.7 -54.0 -32.3 3.6 -13.4 7.9 297 303 A K T << S+ 0 0 69 -4,-1.1 10,-2.4 -3,-0.6 -1,-0.3 0.411 113.4 45.8 -86.4 -5.4 4.1 -11.1 4.9 298 304 A L T <4 S+ 0 0 0 -3,-2.4 2,-1.8 -4,-0.3 -2,-0.2 0.759 104.1 61.3 -97.5 -53.0 7.3 -9.7 6.3 299 305 A L S < S+ 0 0 1 -4,-2.6 2,-0.4 -86,-0.1 -1,-0.1 -0.441 71.6 129.6 -82.9 75.9 9.0 -13.0 7.5 300 306 A R - 0 0 71 -2,-1.8 6,-0.2 -3,-0.1 5,-0.0 -0.968 58.5-136.4-121.2 138.0 9.3 -14.9 4.2 301 307 A Y S S+ 0 0 13 -2,-0.4 2,-0.8 -107,-0.1 -106,-0.2 0.886 92.1 77.4 -59.0 -46.7 12.6 -16.5 3.0 302 308 A D S >> S- 0 0 10 1,-0.2 3,-1.4 -108,-0.1 4,-0.8 -0.633 70.8-159.6 -70.0 110.6 12.0 -15.2 -0.5 303 309 A H G >4 S+ 0 0 2 -2,-0.8 3,-0.5 1,-0.3 -1,-0.2 0.845 90.1 62.5 -62.8 -26.4 13.0 -11.5 -0.2 304 310 A Q G 34 S+ 0 0 51 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.756 101.5 50.2 -71.1 -23.1 11.0 -10.9 -3.4 305 311 A E G <4 S+ 0 0 95 -3,-1.4 -1,-0.2 -7,-0.1 -2,-0.2 0.580 87.5 103.0 -89.5 -17.6 7.8 -12.0 -1.7 306 312 A R S << S- 0 0 4 -4,-0.8 -8,-0.2 -3,-0.5 -9,-0.1 -0.336 84.2 -98.6 -65.3 146.1 8.2 -9.8 1.4 307 313 A L - 0 0 25 -10,-2.4 2,-0.2 -13,-0.2 -1,-0.1 -0.257 34.7-123.0 -55.1 157.9 6.1 -6.6 1.5 308 314 A T > - 0 0 26 1,-0.1 4,-2.1 -3,-0.1 5,-0.1 -0.531 30.0-105.3 -91.5 169.5 7.8 -3.4 0.4 309 315 A A H > S+ 0 0 2 1,-0.2 4,-1.8 2,-0.2 -170,-0.2 0.908 122.8 52.7 -64.2 -39.3 7.9 -0.5 3.0 310 316 A L H > S+ 0 0 93 1,-0.2 4,-0.6 2,-0.2 3,-0.4 0.949 110.1 45.8 -62.3 -51.6 5.2 1.2 0.9 311 317 A E H >> S+ 0 0 82 1,-0.2 3,-1.3 2,-0.2 4,-0.6 0.856 108.9 58.1 -55.6 -43.1 2.9 -1.8 0.8 312 318 A A H >< S+ 0 0 0 -4,-2.1 3,-1.2 1,-0.3 6,-0.3 0.892 99.4 56.0 -56.6 -43.5 3.4 -2.3 4.5 313 319 A M H 3< S+ 0 0 21 -4,-1.8 -1,-0.3 -3,-0.4 -2,-0.2 0.609 107.8 50.1 -66.6 -17.6 2.2 1.1 5.5 314 320 A T H << S+ 0 0 93 -3,-1.3 -1,-0.2 -4,-0.6 -2,-0.2 0.467 80.8 120.9 -99.1 1.6 -1.2 0.5 3.7 315 321 A H S X< S- 0 0 12 -3,-1.2 3,-2.1 -4,-0.6 4,-0.1 -0.273 76.3-118.2 -63.2 144.3 -1.8 -2.9 5.4 316 322 A P G > S+ 0 0 60 0, 0.0 3,-3.0 0, 0.0 4,-0.3 0.812 107.7 78.7 -56.4 -29.3 -5.1 -2.9 7.4 317 323 A Y G 3 S+ 0 0 0 1,-0.3 3,-0.3 -27,-0.2 4,-0.1 0.781 98.3 43.1 -46.2 -38.1 -3.1 -3.5 10.5 318 324 A F G <> S+ 0 0 0 -3,-2.1 4,-2.3 -6,-0.3 3,-0.3 0.147 77.8 115.0 -96.9 16.6 -2.2 0.2 10.5 319 325 A Q H <> S+ 0 0 120 -3,-3.0 4,-2.7 1,-0.2 5,-0.2 0.890 77.2 49.2 -55.0 -43.0 -5.7 1.6 9.6 320 326 A Q H > S+ 0 0 116 -4,-0.3 4,-2.3 -3,-0.3 -1,-0.2 0.890 110.3 50.7 -66.7 -36.4 -6.2 3.3 12.9 321 327 A V H > S+ 0 0 2 -3,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.883 111.8 48.4 -64.1 -47.0 -2.7 5.0 12.8 322 328 A R H X S+ 0 0 61 -4,-2.3 4,-2.3 2,-0.2 3,-0.5 0.977 111.8 48.4 -57.2 -55.0 -3.5 6.2 9.3 323 329 A A H X S+ 0 0 53 -4,-2.7 4,-0.6 1,-0.3 -2,-0.2 0.892 110.4 51.5 -56.0 -39.9 -6.9 7.6 10.3 324 330 A A H >< S+ 0 0 62 -4,-2.3 3,-0.5 1,-0.2 -1,-0.3 0.865 110.4 50.1 -65.8 -33.5 -5.4 9.4 13.3 325 331 A E H 3< S+ 0 0 94 -4,-1.6 -2,-0.2 -3,-0.5 -1,-0.2 0.904 110.6 50.0 -69.6 -38.4 -2.9 10.9 11.0 326 332 A N H 3< 0 0 125 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.430 360.0 360.0 -82.6 -3.9 -5.6 12.1 8.5 327 333 A S << 0 0 161 -4,-0.6 -4,-0.1 -3,-0.5 -1,-0.1 -0.670 360.0 360.0 125.1 360.0 -7.9 13.8 11.1