==== 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 14-MAY-02 1LR4 . 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) . 15817.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 216 66.1 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 . 22 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 96 29.4 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 1 0 2 0 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 35 0, 0.0 178,-0.5 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 137.4 18.0 -10.9 -8.7 2 8 A K - 0 0 117 176,-0.1 2,-0.1 177,-0.1 202,-0.1 -0.941 360.0 -94.4-124.4 160.7 16.8 -7.3 -8.9 3 9 A A - 0 0 10 -2,-0.3 4,-0.2 200,-0.1 301,-0.1 -0.425 23.5-141.4 -65.6 141.6 14.7 -5.1 -6.6 4 10 A R S S+ 0 0 159 -2,-0.1 2,-0.3 2,-0.1 -1,-0.1 0.695 85.6 32.5 -79.6 -20.2 11.0 -5.0 -7.4 5 11 A V S S+ 0 0 56 1,-0.1 200,-0.2 2,-0.0 -2,-0.0 -0.952 120.3 10.6-134.3 156.0 10.9 -1.3 -6.6 6 12 A Y S > S+ 0 0 67 -2,-0.3 3,-0.9 1,-0.1 4,-0.3 0.739 73.8 143.7 53.2 24.9 13.2 1.7 -6.9 7 13 A A T 3 + 0 0 30 -4,-0.2 3,-0.3 1,-0.2 4,-0.1 0.831 67.7 44.0 -61.3 -29.1 15.6 -0.4 -8.9 8 14 A D T >> S+ 0 0 86 1,-0.2 4,-2.3 2,-0.1 3,-0.5 0.314 77.1 109.1-104.2 10.4 16.6 2.5 -11.2 9 15 A V H <> S+ 0 0 15 -3,-0.9 4,-1.6 1,-0.3 -1,-0.2 0.902 87.3 36.0 -53.2 -51.4 17.1 5.3 -8.6 10 16 A N H 34 S+ 0 0 3 166,-0.5 -1,-0.3 -4,-0.3 8,-0.2 0.601 112.7 60.6 -81.0 -12.9 20.9 5.5 -8.9 11 17 A V H <4 S+ 0 0 96 -3,-0.5 -1,-0.2 1,-0.1 -2,-0.2 0.834 110.6 40.8 -81.3 -37.3 20.8 4.8 -12.6 12 18 A L H < S+ 0 0 129 -4,-2.3 -2,-0.2 2,-0.1 -3,-0.1 0.825 103.7 79.5 -79.3 -34.5 18.8 7.9 -13.2 13 19 A R S < S- 0 0 79 -4,-1.6 5,-0.1 -5,-0.3 2,-0.0 -0.345 92.7 -88.4 -79.7 159.7 20.6 10.2 -10.8 14 20 A P >> - 0 0 76 0, 0.0 3,-2.6 0, 0.0 4,-0.7 -0.308 35.2-114.8 -65.3 146.7 23.9 12.0 -11.4 15 21 A K H 3> S+ 0 0 131 1,-0.3 4,-2.4 2,-0.2 3,-0.2 0.753 114.7 67.7 -53.1 -27.3 27.1 10.1 -10.5 16 22 A E H 34 S+ 0 0 153 1,-0.2 -1,-0.3 2,-0.2 6,-0.1 0.783 91.5 63.0 -65.6 -26.6 27.7 12.8 -7.9 17 23 A Y H <4 S+ 0 0 28 -3,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.951 121.3 15.5 -60.4 -49.0 24.7 11.5 -6.0 18 24 A W H < S+ 0 0 66 -4,-0.7 2,-2.2 -3,-0.2 -2,-0.2 0.505 93.9 98.8-111.6 -8.1 26.1 8.0 -5.3 19 25 A D >< + 0 0 40 -4,-2.4 3,-1.5 1,-0.2 -1,-0.1 -0.520 44.1 168.6 -79.0 78.2 29.8 8.2 -6.0 20 26 A Y G > + 0 0 21 -2,-2.2 3,-1.6 1,-0.3 -1,-0.2 0.748 64.3 71.9 -66.8 -21.7 30.7 8.6 -2.3 21 27 A E G 3 S+ 0 0 102 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.723 96.2 52.8 -64.4 -21.7 34.4 8.0 -2.9 22 28 A A G < S+ 0 0 69 -3,-1.5 -1,-0.3 -6,-0.1 -2,-0.2 0.216 81.2 127.5 -97.4 9.4 34.6 11.5 -4.5 23 29 A L < - 0 0 21 -3,-1.6 2,-0.4 -4,-0.1 50,-0.1 -0.334 48.5-150.3 -66.2 152.8 33.0 13.4 -1.7 24 30 A T - 0 0 104 49,-0.1 2,-0.4 2,-0.0 -2,-0.1 -0.962 14.9-139.9-126.8 108.8 34.9 16.4 -0.2 25 31 A V - 0 0 26 -2,-0.4 2,-1.2 1,-0.1 48,-0.0 -0.581 1.6-149.5 -75.6 120.5 34.1 16.9 3.5 26 32 A Q - 0 0 149 -2,-0.4 68,-0.3 69,-0.0 2,-0.2 -0.750 24.6-147.8 -86.4 92.9 33.7 20.5 4.6 27 33 A W - 0 0 86 -2,-1.2 68,-0.2 1,-0.1 3,-0.0 -0.413 10.1-152.2 -67.1 134.8 35.0 20.2 8.2 28 34 A G - 0 0 30 66,-3.4 2,-0.7 -2,-0.2 68,-0.4 0.032 36.0 -66.7 -88.7-162.0 33.5 22.4 10.8 29 35 A E > - 0 0 111 1,-0.1 3,-1.6 66,-0.1 4,-0.3 -0.823 32.1-153.7 -97.4 116.7 34.9 23.8 14.1 30 36 A Q G > S+ 0 0 78 -2,-0.7 3,-1.0 1,-0.3 -1,-0.1 0.757 91.1 63.5 -55.4 -27.4 35.6 21.2 16.7 31 37 A D G 3 S+ 0 0 122 1,-0.2 -1,-0.3 3,-0.0 22,-0.2 0.649 83.1 74.3 -77.5 -14.9 35.2 23.8 19.5 32 38 A D G < S+ 0 0 45 -3,-1.6 21,-2.0 1,-0.1 2,-0.5 0.723 95.5 60.4 -67.6 -18.6 31.6 24.5 18.8 33 39 A Y E < -A 52 0A 36 -3,-1.0 2,-0.4 -4,-0.3 19,-0.2 -0.942 63.2-173.4-124.4 122.0 30.8 21.1 20.3 34 40 A E E -A 51 0A 112 17,-1.9 17,-2.0 -2,-0.5 2,-0.3 -0.918 24.0-125.0-118.5 134.7 31.4 20.0 23.9 35 41 A V E +A 50 0A 68 -2,-0.4 15,-0.3 15,-0.2 3,-0.1 -0.594 27.3 173.5 -77.0 131.3 30.9 16.5 25.3 36 42 A V E - 0 0 83 13,-3.2 2,-0.3 1,-0.3 14,-0.2 0.801 61.8 -19.0-103.7 -48.4 28.7 16.3 28.4 37 43 A R E -A 49 0A 128 12,-1.5 12,-3.2 0, 0.0 -1,-0.3 -0.971 62.8-102.0-162.1 153.5 28.3 12.5 28.9 38 44 A K E +A 48 0A 99 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.501 32.8 169.7 -75.1 135.0 28.6 9.1 27.3 39 45 A V E - 0 0 68 8,-3.0 2,-0.3 1,-0.3 9,-0.2 0.411 59.3 -7.4-124.1 -0.1 25.3 7.5 26.2 40 46 A G E -A 47 0A 24 7,-1.6 7,-2.4 2,-0.0 -1,-0.3 -0.994 47.6-161.9 179.3 174.1 26.4 4.6 24.1 41 47 A R E +A 46 0A 185 -2,-0.3 2,-0.3 5,-0.3 5,-0.2 -0.971 10.7 168.5-170.9 148.0 29.0 2.6 22.4 42 48 A G - 0 0 34 3,-2.5 3,-0.2 -2,-0.3 -2,-0.0 -0.859 54.7 -72.1-150.4-171.1 29.5 -0.0 19.7 43 49 A K S S+ 0 0 152 -2,-0.3 3,-0.1 1,-0.2 0, 0.0 0.797 128.2 28.3 -61.4 -32.2 32.0 -1.8 17.6 44 50 A Y S S+ 0 0 97 1,-0.1 21,-2.6 20,-0.0 2,-0.3 0.453 123.5 11.5-111.3 -4.1 32.6 1.3 15.4 45 51 A S E - B 0 64A 7 19,-0.2 -3,-2.5 -3,-0.2 2,-0.4 -0.993 53.7-128.1-165.8 164.5 31.9 4.4 17.6 46 52 A E E -AB 41 63A 71 17,-1.9 17,-2.6 -2,-0.3 2,-0.4 -0.950 28.0-148.1-119.9 145.2 31.2 6.0 20.9 47 53 A V E +AB 40 62A 37 -7,-2.4 -8,-3.0 -2,-0.4 -7,-1.6 -0.961 17.2 179.0-124.8 131.9 28.2 8.2 21.3 48 54 A F E -AB 38 61A 26 13,-3.3 13,-3.4 -2,-0.4 2,-0.4 -0.924 31.8-120.2-130.1 150.6 27.9 11.2 23.6 49 55 A E E +AB 37 60A 12 -12,-3.2 -13,-3.2 -2,-0.3 -12,-1.5 -0.754 46.6 174.0 -80.9 137.4 25.4 13.8 24.6 50 56 A G E -AB 35 59A 1 9,-2.6 9,-1.8 -2,-0.4 2,-0.4 -0.750 26.2-122.1-135.3-178.3 26.9 17.2 23.8 51 57 A I E -AB 34 58A 40 -17,-2.0 -17,-1.9 7,-0.2 2,-1.1 -0.995 15.6-131.4-132.8 137.2 26.1 20.9 23.7 52 58 A N E >> -AB 33 57A 27 5,-3.1 4,-2.7 -2,-0.4 5,-0.6 -0.793 24.3-149.7 -82.1 100.5 26.3 23.4 20.9 53 59 A V T 45S+ 0 0 56 -21,-2.0 -1,-0.1 -2,-1.1 -20,-0.1 0.673 88.7 49.3 -43.7 -30.5 28.3 26.2 22.8 54 60 A N T 45S+ 0 0 101 -22,-0.4 -1,-0.2 1,-0.1 -21,-0.1 0.915 125.8 21.3 -82.2 -49.3 26.6 29.0 20.8 55 61 A N T 45S- 0 0 76 -3,-0.4 -2,-0.2 2,-0.1 -1,-0.1 0.555 95.5-134.4 -95.6 -3.9 22.9 28.2 21.0 56 62 A N T <5 + 0 0 112 -4,-2.7 2,-0.3 1,-0.2 -3,-0.2 0.702 55.2 149.1 56.8 21.6 23.5 26.1 24.1 57 63 A E E < -B 52 0A 126 -5,-0.6 -5,-3.1 1,-0.1 -1,-0.2 -0.607 50.5-108.6 -84.1 144.0 21.3 23.5 22.5 58 64 A K E +B 51 0A 114 -2,-0.3 51,-0.6 -7,-0.2 2,-0.3 -0.346 43.6 167.0 -68.9 151.0 21.8 19.8 23.1 59 65 A C E -BC 50 108A 4 -9,-1.8 -9,-2.6 49,-0.2 2,-0.4 -0.885 33.6-106.0-150.6 179.3 23.1 17.6 20.3 60 66 A I E -BC 49 107A 17 47,-2.9 47,-2.8 -2,-0.3 2,-0.6 -0.964 24.4-158.4-119.9 131.4 24.6 14.0 19.8 61 67 A I E -BC 48 106A 7 -13,-3.4 -13,-3.3 -2,-0.4 2,-0.6 -0.951 4.7-169.6-116.3 122.5 28.3 13.4 19.2 62 68 A K E -BC 47 105A 13 43,-2.7 43,-2.4 -2,-0.6 2,-0.6 -0.922 6.8-160.6-110.3 109.6 29.4 10.3 17.6 63 69 A I E -BC 46 104A 47 -17,-2.6 -17,-1.9 -2,-0.6 2,-0.3 -0.801 17.8-136.2 -94.5 121.9 33.2 9.7 17.7 64 70 A L E -B 45 0A 12 39,-2.1 -19,-0.2 -2,-0.6 3,-0.1 -0.572 6.2-133.2 -83.3 132.8 34.3 7.2 15.1 65 71 A K - 0 0 85 -21,-2.6 -1,-0.1 -2,-0.3 -21,-0.0 -0.451 52.8 -71.3 -70.7 154.9 36.8 4.5 15.8 66 72 A P S S+ 0 0 134 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.265 71.0 149.3 -55.1 128.7 39.5 4.3 13.2 67 73 A V - 0 0 57 -3,-0.1 5,-0.1 0, 0.0 -3,-0.0 -0.941 53.1 -68.4-149.8 167.5 38.3 2.9 9.8 68 74 A K > - 0 0 123 -2,-0.3 4,-1.3 1,-0.1 3,-0.4 -0.219 45.7-117.4 -58.6 145.3 39.2 3.3 6.2 69 75 A K H > S+ 0 0 132 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.838 110.4 63.0 -55.4 -37.2 38.4 6.7 4.7 70 76 A K H > S+ 0 0 73 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.944 100.6 50.3 -56.5 -50.5 35.9 5.2 2.2 71 77 A K H > S+ 0 0 33 -3,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.865 111.5 50.6 -59.0 -34.8 33.6 3.9 4.9 72 78 A I H X S+ 0 0 29 -4,-1.3 4,-1.9 1,-0.2 -1,-0.2 0.935 110.0 48.1 -68.0 -45.8 33.7 7.4 6.5 73 79 A K H X S+ 0 0 32 -4,-2.7 4,-2.2 1,-0.2 5,-0.2 0.872 109.8 55.4 -59.8 -37.7 32.9 9.1 3.2 74 80 A R H X S+ 0 0 29 -4,-2.5 4,-2.3 -5,-0.2 5,-0.2 0.945 107.2 47.0 -61.2 -50.6 30.0 6.6 2.7 75 81 A E H X S+ 0 0 8 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.921 114.5 47.5 -59.7 -42.5 28.2 7.3 6.0 76 82 A I H X S+ 0 0 0 -4,-1.9 4,-2.7 1,-0.2 -1,-0.2 0.932 111.5 48.0 -65.3 -48.0 28.5 11.1 5.4 77 83 A K H X S+ 0 0 33 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.898 113.0 49.4 -62.1 -41.0 27.2 11.1 1.9 78 84 A I H X S+ 0 0 0 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.949 111.7 48.2 -65.4 -47.0 24.3 8.9 2.8 79 85 A L H X S+ 0 0 1 -4,-2.6 4,-1.1 -5,-0.2 12,-0.3 0.903 112.8 48.7 -57.7 -41.1 23.4 11.1 5.7 80 86 A Q H >< S+ 0 0 88 -4,-2.7 3,-0.6 1,-0.2 -2,-0.2 0.945 111.2 50.0 -65.6 -44.8 23.6 14.2 3.5 81 87 A N H 3< S+ 0 0 31 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.828 117.6 39.9 -58.8 -37.5 21.5 12.6 0.8 82 88 A L H >< S+ 0 0 0 -4,-2.2 3,-2.5 -5,-0.2 -1,-0.2 0.541 81.2 131.8 -91.7 -8.2 18.8 11.6 3.3 83 89 A C T << S+ 0 0 50 -4,-1.1 7,-0.1 -3,-0.6 6,-0.1 -0.207 75.0 20.8 -51.9 127.5 18.9 14.8 5.4 84 90 A G T 3 S+ 0 0 69 4,-0.3 -1,-0.3 1,-0.3 3,-0.1 0.226 89.3 130.1 99.7 -14.3 15.3 15.9 6.0 85 91 A G S X S- 0 0 7 -3,-2.5 3,-1.6 1,-0.1 -1,-0.3 -0.343 72.8 -76.0 -67.2 158.5 13.5 12.7 5.3 86 92 A P T 3 S- 0 0 56 0, 0.0 54,-0.2 0, 0.0 -1,-0.1 -0.312 109.4 -9.6 -64.0 129.1 10.9 11.5 7.8 87 93 A N T 3 S+ 0 0 21 1,-0.2 80,-2.6 -3,-0.1 2,-0.5 0.604 95.8 134.4 57.7 22.9 12.4 10.0 10.9 88 94 A I B < -e 167 0B 5 -3,-1.6 -4,-0.3 78,-0.2 -1,-0.2 -0.854 65.0-108.3 -97.5 127.9 15.9 10.0 9.5 89 95 A V - 0 0 7 78,-1.7 2,-0.7 -2,-0.5 -4,-0.1 -0.223 35.2-123.6 -52.9 142.0 18.5 11.3 12.0 90 96 A K - 0 0 104 -7,-0.1 18,-2.0 -6,-0.1 2,-0.4 -0.822 10.9-143.8-101.4 115.7 19.8 14.8 10.9 91 97 A L E +D 107 0A 20 -2,-0.7 16,-0.2 -12,-0.3 3,-0.1 -0.656 22.3 175.8 -72.2 123.8 23.5 15.2 10.5 92 98 A L E - 0 0 88 14,-3.0 2,-0.3 -2,-0.4 15,-0.2 0.750 57.3 -10.7-100.3 -36.6 24.3 18.8 11.7 93 99 A D E -D 106 0A 34 13,-1.7 13,-2.5 -65,-0.0 2,-0.4 -0.977 49.1-139.8-160.4 167.5 28.0 19.0 11.4 94 100 A I E +D 105 0A 10 -68,-0.3 -66,-3.4 -2,-0.3 2,-0.3 -0.996 28.8 169.9-136.3 127.6 31.3 17.1 10.8 95 101 A V E -D 104 0A 4 9,-2.5 9,-2.8 -2,-0.4 2,-0.4 -0.980 16.6-153.4-142.6 157.3 34.5 17.8 12.8 96 102 A R E -D 103 0A 90 -68,-0.4 2,-0.5 -2,-0.3 -66,-0.2 -0.984 27.7-112.1-136.8 138.1 38.0 16.4 13.4 97 103 A D > - 0 0 50 5,-2.1 4,-3.3 -2,-0.4 5,-0.3 -0.502 29.8-140.9 -65.9 116.4 40.5 16.5 16.1 98 104 A Q T 4 S+ 0 0 151 -2,-0.5 -1,-0.2 2,-0.2 0, 0.0 0.921 96.0 38.1 -44.8 -55.6 43.4 18.5 14.6 99 105 A H T 4 S+ 0 0 182 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.991 130.5 25.0 -63.3 -68.1 46.0 16.3 16.2 100 106 A S T 4 S- 0 0 69 2,-0.1 -2,-0.2 1,-0.1 -1,-0.2 0.789 91.1-138.3 -66.9 -32.8 44.6 12.8 16.0 101 107 A K < + 0 0 94 -4,-3.3 -3,-0.2 1,-0.3 -1,-0.1 0.804 43.7 162.9 70.0 31.8 42.4 13.6 13.0 102 108 A T - 0 0 54 -5,-0.3 -5,-2.1 -36,-0.0 -1,-0.3 -0.753 32.2-134.0 -80.1 118.2 39.7 11.5 14.8 103 109 A P E - D 0 96A 17 0, 0.0 -39,-2.1 0, 0.0 2,-0.4 -0.449 19.9-169.8 -76.4 146.8 36.3 12.4 13.2 104 110 A S E -CD 63 95A 16 -9,-2.8 -9,-2.5 -41,-0.2 2,-0.4 -0.991 10.9-149.5-129.8 136.5 33.2 13.1 15.1 105 111 A L E -CD 62 94A 0 -43,-2.4 -43,-2.7 -2,-0.4 2,-0.5 -0.922 13.1-148.0-105.1 137.7 29.7 13.4 13.5 106 112 A I E -CD 61 93A 2 -13,-2.5 -14,-3.0 -2,-0.4 -13,-1.7 -0.928 19.5-179.6-112.1 128.3 27.3 15.8 15.1 107 113 A F E -CD 60 91A 14 -47,-2.8 -47,-2.9 -2,-0.5 -16,-0.2 -0.817 37.9 -85.5-124.3 157.9 23.6 15.0 15.1 108 114 A E E -C 59 0A 41 -18,-2.0 2,-0.3 -2,-0.3 -49,-0.2 -0.233 60.1 -99.5 -49.3 152.1 20.4 16.6 16.3 109 115 A Y - 0 0 60 -51,-0.6 2,-0.4 -50,-0.1 -1,-0.1 -0.609 39.2-172.8 -82.4 137.4 19.8 15.5 19.9 110 116 A V - 0 0 11 -2,-0.3 2,-1.4 -3,-0.1 48,-0.1 -0.997 21.0-140.7-129.8 135.1 17.3 12.7 20.6 111 117 A N - 0 0 83 -2,-0.4 49,-0.1 46,-0.1 2,-0.1 -0.630 34.0-166.5 -96.2 82.4 16.2 11.7 24.1 112 118 A N - 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0 0 86 -5,-1.3 -1,-0.2 -6,-0.2 -4,-0.1 -0.748 51.2-142.9-139.8 80.3 10.5 -12.8 22.7 224 230 A E S S+ 0 0 75 -2,-0.3 2,-0.1 2,-0.1 -9,-0.0 -0.859 85.8 17.1-107.9 116.6 13.7 -10.7 22.3 225 231 A P S S- 0 0 20 0, 0.0 3,-0.2 0, 0.0 -10,-0.1 0.643 79.7-158.7 -82.6 172.3 15.3 -11.6 20.2 226 232 A F S S+ 0 0 9 -12,-0.3 2,-0.8 1,-0.3 -2,-0.1 0.940 88.0 38.5 -77.7 -48.6 12.9 -13.6 18.2 227 233 A F S S- 0 0 4 -37,-0.4 2,-1.1 2,-0.0 -1,-0.3 -0.871 77.5-170.9-104.1 100.5 15.5 -15.7 16.3 228 234 A Y + 0 0 120 -2,-0.8 2,-0.3 -3,-0.2 -38,-0.0 -0.683 14.4 166.1 -99.9 81.6 18.2 -16.4 18.8 229 235 A G - 0 0 0 -2,-1.1 3,-0.1 1,-0.1 6,-0.1 -0.667 31.2-150.1 -95.2 151.1 21.1 -18.0 17.0 230 236 A H S S+ 0 0 125 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.887 80.1 3.2 -88.9 -47.8 24.6 -18.4 18.4 231 237 A D S > S- 0 0 87 -42,-0.0 4,-2.3 1,-0.0 -1,-0.2 -0.811 91.1 -87.4-128.2 179.1 26.6 -18.2 15.2 232 238 A N H > S+ 0 0 76 -2,-0.3 4,-1.4 1,-0.2 5,-0.1 0.849 126.4 48.9 -55.0 -40.5 25.7 -17.6 11.6 233 239 A H H > S+ 0 0 59 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.923 111.1 48.9 -64.9 -48.0 25.1 -21.2 10.9 234 240 A D H > S+ 0 0 39 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.844 104.3 62.4 -60.8 -32.2 22.9 -21.6 14.0 235 241 A Q H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.935 103.9 47.5 -59.2 -44.9 20.9 -18.4 12.9 236 242 A L H X S+ 0 0 0 -4,-1.4 4,-2.5 1,-0.2 -1,-0.2 0.894 111.0 51.5 -63.4 -40.9 19.9 -20.2 9.8 237 243 A V H X S+ 0 0 6 -4,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.905 107.6 52.6 -61.4 -42.3 18.8 -23.3 11.8 238 244 A K H < S+ 0 0 66 -4,-2.7 4,-0.3 2,-0.2 -1,-0.2 0.864 111.5 46.0 -63.6 -37.9 16.8 -21.1 14.1 239 245 A I H >X S+ 0 0 0 -4,-1.9 4,-3.0 1,-0.2 3,-1.8 0.950 112.5 51.1 -66.1 -48.8 14.9 -19.5 11.2 240 246 A A H 3X S+ 0 0 0 -4,-2.5 4,-1.7 1,-0.3 -2,-0.2 0.814 100.9 61.2 -61.4 -34.3 14.4 -22.9 9.6 241 247 A K H 3< S+ 0 0 93 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.634 117.9 31.7 -68.5 -13.0 12.9 -24.5 12.8 242 248 A V H <4 S+ 0 0 16 -3,-1.8 31,-2.8 -4,-0.3 -2,-0.2 0.805 126.0 35.8-106.9 -55.9 10.2 -21.9 12.5 243 249 A L H < S- 0 0 12 -4,-3.0 4,-0.3 29,-0.2 29,-0.2 0.706 110.7-121.3 -74.4 -19.7 9.6 -21.1 8.8 244 250 A G X - 0 0 3 -4,-1.7 4,-0.6 -5,-0.4 27,-0.2 0.150 10.6 -98.7 93.2 155.6 10.2 -24.8 7.8 245 251 A T H > S+ 0 0 4 25,-2.5 4,-2.1 1,-0.2 5,-0.2 0.700 109.7 68.7 -85.3 -22.1 12.7 -26.4 5.5 246 252 A D H > S+ 0 0 131 24,-0.5 4,-1.9 1,-0.2 -1,-0.2 0.938 101.9 45.8 -62.4 -47.5 10.4 -26.9 2.5 247 253 A G H > S+ 0 0 32 -4,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.801 110.4 55.7 -65.2 -30.3 10.2 -23.2 1.8 248 254 A L H X S+ 0 0 2 -4,-0.6 4,-2.7 2,-0.2 -1,-0.2 0.936 107.9 47.1 -67.4 -45.7 14.0 -22.9 2.2 249 255 A N H X S+ 0 0 47 -4,-2.1 4,-1.8 1,-0.2 5,-0.2 0.863 109.9 53.0 -69.3 -29.8 14.6 -25.5 -0.4 250 256 A V H X S+ 0 0 100 -4,-1.9 4,-1.9 -5,-0.2 -1,-0.2 0.916 111.7 47.8 -66.5 -39.4 12.2 -23.9 -2.8 251 257 A Y H X S+ 0 0 5 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.929 109.9 50.2 -65.5 -48.8 14.1 -20.7 -2.2 252 258 A L H <>S+ 0 0 6 -4,-2.7 5,-2.8 1,-0.2 4,-0.3 0.858 112.4 46.8 -59.6 -39.3 17.6 -22.2 -2.7 253 259 A N H <5S+ 0 0 121 -4,-1.8 3,-0.4 3,-0.2 -1,-0.2 0.873 107.7 57.1 -75.9 -34.0 16.7 -23.9 -6.0 254 260 A K H <5S+ 0 0 108 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.900 118.7 31.5 -61.0 -42.0 15.0 -20.8 -7.3 255 261 A Y T <5S- 0 0 40 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.369 111.1-121.6-100.7 7.1 18.2 -18.8 -6.9 256 262 A R T 5 + 0 0 224 -3,-0.4 2,-0.4 -4,-0.3 -3,-0.2 0.939 54.5 156.1 58.9 54.2 20.4 -21.8 -7.6 257 263 A I < - 0 0 28 -5,-2.8 2,-0.6 -6,-0.1 -1,-0.2 -0.938 32.8-150.2-112.5 134.6 22.3 -21.7 -4.3 258 264 A E - 0 0 191 -2,-0.4 2,-0.2 -60,-0.1 -5,-0.0 -0.919 15.1-139.1-105.0 122.2 24.0 -24.8 -2.9 259 265 A L - 0 0 22 -2,-0.6 -61,-0.1 1,-0.1 -60,-0.0 -0.542 31.5-100.2 -73.2 144.9 24.2 -24.9 0.9 260 266 A D > - 0 0 68 -2,-0.2 4,-3.0 1,-0.1 3,-0.4 -0.456 32.4-117.8 -69.1 136.7 27.5 -26.2 2.3 261 267 A P H > S+ 0 0 102 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.796 113.4 51.1 -43.9 -47.2 27.2 -29.8 3.4 262 268 A Q H > S+ 0 0 121 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.952 114.5 44.2 -57.7 -50.0 28.0 -29.1 7.0 263 269 A L H > S+ 0 0 9 -3,-0.4 4,-3.1 1,-0.2 5,-0.2 0.938 109.8 55.3 -60.6 -48.8 25.3 -26.4 7.1 264 270 A E H X S+ 0 0 101 -4,-3.0 4,-2.0 1,-0.3 -1,-0.2 0.894 110.3 46.8 -50.9 -42.5 22.8 -28.5 5.2 265 271 A A H < S+ 0 0 76 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.878 109.9 52.8 -71.3 -37.5 23.2 -31.2 7.9 266 272 A L H < S+ 0 0 89 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.948 109.1 50.5 -61.9 -46.3 22.9 -28.7 10.7 267 273 A V H < S+ 0 0 4 -4,-3.1 -2,-0.2 1,-0.1 -1,-0.2 0.931 84.7 166.5 -58.0 -50.3 19.6 -27.4 9.2 268 274 A G < - 0 0 25 -4,-2.0 2,-0.4 -5,-0.2 -1,-0.1 -0.394 47.3 -44.4 72.2-146.6 18.0 -30.9 8.8 269 275 A R + 0 0 159 -2,-0.1 2,-0.3 -4,-0.1 -25,-0.0 -0.979 61.2 168.8-125.3 136.9 14.3 -31.2 8.1 270 276 A H - 0 0 55 -2,-0.4 -25,-2.5 -30,-0.0 -24,-0.5 -0.986 28.5-129.5-152.5 140.5 11.6 -29.2 9.9 271 277 A S - 0 0 82 -2,-0.3 -27,-0.3 -27,-0.2 2,-0.2 -0.537 42.8 -94.2 -82.9 153.6 8.0 -28.6 9.5 272 278 A R - 0 0 122 -29,-0.2 -29,-0.2 -2,-0.2 -30,-0.1 -0.465 35.4-139.1 -66.8 135.9 6.7 -25.1 9.5 273 279 A K - 0 0 59 -31,-2.8 -1,-0.1 -2,-0.2 -29,-0.0 -0.882 20.0-119.8-102.2 117.5 5.5 -23.9 12.9 274 280 A P > - 0 0 70 0, 0.0 3,-1.9 0, 0.0 4,-0.3 -0.207 19.2-123.7 -52.7 138.7 2.3 -21.8 12.9 275 281 A W G > S+ 0 0 12 1,-0.3 3,-1.4 2,-0.2 4,-0.0 0.766 107.1 69.0 -57.9 -28.1 2.8 -18.3 14.3 276 282 A L G > S+ 0 0 105 1,-0.2 3,-2.1 2,-0.2 -1,-0.3 0.750 80.5 73.9 -63.9 -25.7 0.0 -19.0 16.9 277 283 A K G < S+ 0 0 169 -3,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.704 91.2 58.5 -64.4 -16.3 2.2 -21.5 18.7 278 284 A F G < S+ 0 0 45 -3,-1.4 -1,-0.3 -4,-0.3 2,-0.2 0.342 81.1 115.8 -90.7 3.9 4.2 -18.6 20.1 279 285 A M < + 0 0 84 -3,-2.1 2,-0.3 4,-0.1 -58,-0.1 -0.559 39.3 154.7 -75.0 139.7 1.1 -17.1 21.7 280 286 A N >> - 0 0 81 -2,-0.2 4,-2.6 -59,-0.0 3,-2.0 -0.981 56.6 -86.1-160.5 166.5 1.1 -17.0 25.5 281 287 A A T 34 S+ 0 0 95 1,-0.3 4,-0.2 -2,-0.3 -2,-0.0 0.656 121.1 52.2 -50.7 -28.1 -0.3 -15.1 28.6 282 288 A D T 34 S+ 0 0 92 1,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.753 120.6 29.9 -82.7 -24.2 2.4 -12.4 28.5 283 289 A N T X4 S+ 0 0 1 -3,-2.0 3,-4.5 1,-0.1 4,-0.5 0.747 86.0 102.2-107.1 -24.1 1.9 -11.4 24.8 284 290 A Q G >< S+ 0 0 126 -4,-2.6 3,-1.0 1,-0.3 -1,-0.1 0.663 77.9 59.1 -30.4 -44.9 -1.8 -12.2 24.2 285 291 A H G 3 S+ 0 0 104 -4,-0.2 -1,-0.3 1,-0.2 3,-0.2 0.723 109.3 47.3 -65.8 -15.5 -2.9 -8.6 24.4 286 292 A L G < S+ 0 0 2 -3,-4.5 2,-0.7 -66,-0.2 -1,-0.2 0.566 90.6 86.0 -98.8 -3.9 -0.5 -7.8 21.5 287 293 A V < + 0 0 19 -3,-1.0 -1,-0.1 -4,-0.5 5,-0.1 -0.295 49.1 163.9-107.3 59.1 -1.3 -10.6 19.0 288 294 A S > - 0 0 29 -2,-0.7 4,-1.9 -3,-0.2 3,-0.3 -0.146 51.5-110.7 -65.6 159.8 -4.3 -9.7 16.7 289 295 A P H > S+ 0 0 112 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.823 122.5 54.7 -57.4 -29.4 -5.0 -11.7 13.4 290 296 A E H > S+ 0 0 74 2,-0.2 4,-2.1 1,-0.2 27,-0.2 0.825 103.9 53.9 -74.8 -34.0 -3.9 -8.5 11.6 291 297 A A H > S+ 0 0 0 -3,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.912 111.8 44.8 -61.4 -43.0 -0.6 -8.5 13.4 292 298 A I H X S+ 0 0 29 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.886 110.3 53.5 -71.5 -41.2 0.0 -12.1 12.4 293 299 A D H X S+ 0 0 54 -4,-2.1 4,-1.0 2,-0.2 -1,-0.2 0.938 112.1 45.3 -58.5 -45.4 -1.0 -11.4 8.8 294 300 A F H >X S+ 0 0 0 -4,-2.1 3,-0.8 2,-0.2 4,-0.5 0.926 112.8 50.1 -61.2 -48.1 1.4 -8.6 8.5 295 301 A L H >X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.3 3,-1.6 0.918 107.3 56.0 -59.3 -43.9 4.3 -10.5 10.2 296 302 A D H 3< S+ 0 0 31 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.766 103.6 52.6 -59.2 -29.7 3.6 -13.3 7.8 297 303 A K H << S+ 0 0 70 -4,-1.0 10,-2.0 -3,-0.8 -1,-0.3 0.492 113.9 45.8 -85.6 -5.7 4.1 -11.1 4.7 298 304 A L H << S+ 0 0 0 -3,-1.6 2,-1.6 -4,-0.5 -2,-0.2 0.816 99.7 63.6-100.0 -47.6 7.4 -9.9 6.1 299 305 A L < + 0 0 2 -4,-2.6 2,-0.4 -86,-0.1 -1,-0.2 -0.556 70.0 133.0 -89.4 78.2 9.1 -13.0 7.2 300 306 A R - 0 0 77 -2,-1.6 6,-0.1 -3,-0.2 5,-0.0 -0.944 56.8-134.7-122.5 141.2 9.5 -14.9 3.9 301 307 A Y S S+ 0 0 15 -2,-0.4 2,-0.6 -58,-0.1 -106,-0.2 0.910 91.9 73.9 -57.1 -50.8 12.7 -16.6 2.7 302 308 A D S >> S- 0 0 9 1,-0.2 3,-1.7 -108,-0.1 4,-0.6 -0.650 71.5-156.8 -75.7 116.9 12.4 -15.2 -0.8 303 309 A H G >4 S+ 0 0 2 -2,-0.6 3,-0.7 1,-0.3 -1,-0.2 0.804 91.4 63.5 -65.8 -28.2 13.3 -11.6 -0.6 304 310 A Q G 34 S+ 0 0 52 1,-0.2 -1,-0.3 -301,-0.1 -2,-0.1 0.668 100.0 52.9 -70.0 -19.2 11.3 -10.9 -3.7 305 311 A E G <4 S+ 0 0 101 -3,-1.7 -1,-0.2 2,-0.1 -2,-0.2 0.596 85.5 106.5 -91.8 -13.7 8.1 -12.0 -1.9 306 312 A R S << S- 0 0 5 -3,-0.7 -8,-0.2 -4,-0.6 -9,-0.1 -0.307 80.6 -98.7 -65.6 151.7 8.4 -9.7 1.1 307 313 A L - 0 0 27 -10,-2.0 2,-0.2 -13,-0.2 -1,-0.1 -0.305 36.2-125.1 -65.7 147.3 6.2 -6.7 1.4 308 314 A T > - 0 0 27 1,-0.1 4,-2.9 -3,-0.1 5,-0.2 -0.609 26.5-108.4 -86.7 157.7 7.8 -3.5 0.4 309 315 A A H > S+ 0 0 2 1,-0.2 4,-1.7 -2,-0.2 -170,-0.2 0.834 120.4 53.1 -53.3 -41.5 7.8 -0.7 3.0 310 316 A L H > S+ 0 0 95 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.917 111.4 44.5 -58.7 -44.8 5.3 1.2 1.0 311 317 A E H >4 S+ 0 0 83 1,-0.2 3,-1.3 2,-0.2 4,-0.5 0.901 109.1 57.9 -64.3 -47.7 2.9 -1.8 0.9 312 318 A A H >< S+ 0 0 0 -4,-2.9 3,-1.5 1,-0.2 6,-0.2 0.902 99.6 57.5 -48.2 -43.6 3.5 -2.4 4.5 313 319 A M H 3< S+ 0 0 22 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.741 106.3 50.7 -65.5 -21.1 2.3 1.1 5.5 314 320 A T T << S+ 0 0 92 -3,-1.3 -1,-0.3 -4,-0.6 -2,-0.2 0.446 80.2 121.4 -99.9 2.2 -1.1 0.4 3.8 315 321 A H S X S- 0 0 13 -3,-1.5 3,-2.2 -4,-0.5 4,-0.1 -0.333 75.0-119.3 -63.0 140.0 -1.7 -2.9 5.5 316 322 A P G > S+ 0 0 58 0, 0.0 3,-2.4 0, 0.0 4,-0.3 0.797 107.6 77.9 -54.2 -26.5 -5.0 -2.9 7.5 317 323 A Y G 3 S+ 0 0 0 1,-0.3 3,-0.3 -27,-0.2 4,-0.2 0.870 99.3 44.9 -52.3 -31.8 -3.1 -3.6 10.7 318 324 A F G <> S+ 0 0 0 -3,-2.2 4,-2.2 -6,-0.2 -1,-0.3 0.248 77.4 110.3 -92.0 12.0 -2.2 0.1 10.5 319 325 A Q H <> S+ 0 0 116 -3,-2.4 4,-3.3 1,-0.2 5,-0.2 0.887 76.9 50.1 -68.4 -31.1 -5.5 1.7 9.7 320 326 A Q H > S+ 0 0 122 -4,-0.3 4,-2.8 -3,-0.3 -1,-0.2 0.920 111.7 50.0 -70.3 -38.5 -6.2 3.4 13.1 321 327 A V H > S+ 0 0 3 2,-0.2 4,-1.7 -4,-0.2 -1,-0.2 0.876 112.8 47.0 -63.8 -40.2 -2.7 4.9 12.9 322 328 A R H X S+ 0 0 63 -4,-2.2 4,-1.9 2,-0.2 3,-0.4 0.976 112.0 49.9 -65.1 -53.7 -3.4 6.1 9.4 323 329 A A H < S+ 0 0 60 -4,-3.3 3,-0.3 1,-0.3 4,-0.3 0.915 109.4 52.2 -50.4 -45.2 -6.8 7.5 10.4 324 330 A A H >< S+ 0 0 60 -4,-2.8 3,-1.2 1,-0.2 -1,-0.3 0.898 109.0 51.1 -59.2 -39.4 -5.2 9.3 13.3 325 331 A E H 3< S+ 0 0 88 -4,-1.7 -1,-0.2 -3,-0.4 -2,-0.2 0.822 99.1 62.7 -70.2 -31.7 -2.7 10.9 11.0 326 332 A N T 3< 0 0 130 -4,-1.9 -1,-0.3 -3,-0.3 -2,-0.2 0.448 360.0 360.0 -75.0 2.1 -5.2 12.1 8.5 327 333 A S < 0 0 154 -3,-1.2 -1,-0.2 -4,-0.3 -2,-0.1 0.044 360.0 360.0 29.7 360.0 -6.8 14.4 11.2