==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 14-DEC-10 3PZH . COMPND 2 MOLECULE: CASEIN KINASE II SUBUNIT ALPHA; . SOURCE 2 ORGANISM_SCIENTIFIC: ZEA MAYS; . AUTHOR R.BATTISTUTTA,M.MAZZORANA . 328 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15964.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 218 66.5 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 . 24 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 98 29.9 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 4 0 1 1 1 0 2 0 1 0 1 1 0 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 45 0, 0.0 178,-0.6 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 140.8 18.1 -11.4 -8.7 2 8 A K - 0 0 120 176,-0.1 202,-0.1 177,-0.1 5,-0.1 -0.988 360.0 -91.9-138.0 156.2 16.9 -7.8 -8.8 3 9 A A - 0 0 0 -2,-0.3 4,-0.2 200,-0.1 301,-0.1 -0.315 25.9-142.6 -59.9 142.1 14.7 -5.6 -6.5 4 10 A R S S+ 0 0 140 2,-0.1 2,-0.3 1,-0.1 -1,-0.1 0.582 85.1 29.9 -86.5 -12.6 11.1 -5.6 -7.5 5 11 A V S S+ 0 0 57 1,-0.1 200,-0.2 2,-0.0 -1,-0.1 -0.971 122.5 13.4-138.3 156.6 10.7 -1.9 -6.7 6 12 A Y S > S+ 0 0 65 -2,-0.3 3,-1.1 1,-0.1 4,-0.3 0.676 75.1 140.2 57.6 18.8 13.1 1.1 -6.8 7 13 A A T 3 S+ 0 0 18 1,-0.2 3,-0.2 -4,-0.2 -1,-0.1 0.763 70.8 43.9 -62.0 -27.1 15.6 -1.0 -8.8 8 14 A D T 3> S+ 0 0 85 1,-0.1 4,-2.5 2,-0.1 5,-0.3 0.274 76.0 107.5-107.2 11.3 16.5 2.0 -11.0 9 15 A V H <> S+ 0 0 17 -3,-1.1 4,-1.0 1,-0.3 -1,-0.1 0.939 91.9 35.0 -56.1 -51.3 16.8 4.9 -8.4 10 16 A N H 4 S+ 0 0 5 166,-0.5 -1,-0.3 -4,-0.3 8,-0.1 0.634 112.1 63.5 -77.9 -14.9 20.6 5.0 -8.8 11 17 A V H 4 S+ 0 0 94 1,-0.2 -2,-0.2 -4,-0.1 -1,-0.2 0.908 110.5 37.2 -69.7 -43.2 20.4 4.2 -12.5 12 18 A L H < S+ 0 0 139 -4,-2.5 -2,-0.2 2,-0.1 -1,-0.2 0.693 105.3 84.0 -81.6 -20.6 18.5 7.4 -13.1 13 19 A R S < S- 0 0 78 -4,-1.0 5,-0.1 -5,-0.3 0, 0.0 -0.525 88.3 -93.2 -91.6 153.9 20.4 9.6 -10.7 14 20 A P >> - 0 0 81 0, 0.0 3,-2.1 0, 0.0 4,-0.7 -0.251 31.8-116.5 -61.0 147.2 23.7 11.4 -11.2 15 21 A K H 3> S+ 0 0 122 1,-0.3 4,-2.9 2,-0.2 3,-0.4 0.823 114.2 72.4 -52.4 -32.5 26.9 9.6 -10.2 16 22 A E H 34 S+ 0 0 151 1,-0.2 -1,-0.3 2,-0.2 6,-0.1 0.870 94.1 55.2 -47.7 -40.3 27.3 12.5 -7.7 17 23 A Y H <4 S+ 0 0 27 -3,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.880 123.6 17.0 -64.7 -44.2 24.4 10.9 -5.8 18 24 A W H < S+ 0 0 62 -4,-0.7 2,-2.2 -3,-0.4 3,-0.2 0.552 94.5 96.5-112.8 -11.3 25.8 7.4 -5.2 19 25 A D >< + 0 0 48 -4,-2.9 3,-1.5 -5,-0.2 4,-0.2 -0.436 44.1 163.9 -80.0 69.7 29.5 7.7 -5.9 20 26 A Y G > + 0 0 12 -2,-2.2 3,-1.8 1,-0.3 -1,-0.2 0.740 63.5 69.3 -61.7 -26.0 30.5 8.1 -2.2 21 27 A E G 3 S+ 0 0 100 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.775 96.2 56.1 -64.9 -22.9 34.2 7.3 -2.7 22 28 A A G < S+ 0 0 66 -3,-1.5 -1,-0.3 -6,-0.1 -2,-0.2 0.455 82.4 121.3 -85.9 -2.1 34.4 10.6 -4.6 23 29 A L < - 0 0 27 -3,-1.8 2,-0.5 -4,-0.2 50,-0.1 -0.359 47.1-161.2 -62.4 135.7 33.1 12.5 -1.6 24 30 A T - 0 0 103 -2,-0.1 2,-0.1 49,-0.1 -2,-0.1 -0.978 19.8-132.8-119.3 117.9 35.3 15.2 -0.1 25 31 A V - 0 0 32 -2,-0.5 2,-0.7 1,-0.1 48,-0.0 -0.415 5.8-149.1 -75.5 138.8 34.3 16.1 3.4 26 32 A Q - 0 0 151 -2,-0.1 68,-0.3 69,-0.0 2,-0.2 -0.912 25.2-145.3-102.0 103.1 34.0 19.7 4.5 27 33 A W - 0 0 89 -2,-0.7 68,-0.2 1,-0.1 3,-0.0 -0.507 10.3-153.7 -77.2 134.1 34.9 19.5 8.2 28 34 A G - 0 0 31 66,-3.4 2,-0.7 -2,-0.2 68,-0.4 0.077 40.9 -63.3 -82.5-160.0 33.2 21.8 10.7 29 35 A E > - 0 0 123 1,-0.1 3,-1.6 66,-0.1 4,-0.2 -0.827 34.1-160.4 -96.0 114.1 34.5 23.1 14.0 30 36 A Q G > S+ 0 0 69 -2,-0.7 3,-1.3 66,-0.3 -1,-0.1 0.787 90.7 63.9 -59.9 -27.7 35.2 20.4 16.6 31 37 A D G 3 S+ 0 0 127 1,-0.3 -1,-0.3 -3,-0.1 22,-0.1 0.627 83.5 76.0 -74.7 -13.5 35.1 23.0 19.3 32 38 A D G < S+ 0 0 39 -3,-1.6 21,-2.7 1,-0.1 22,-0.5 0.678 95.3 58.5 -64.7 -16.4 31.4 23.7 18.6 33 39 A Y E < -A 52 0A 34 -3,-1.3 2,-0.4 19,-0.2 19,-0.2 -0.957 61.9-171.5-131.2 127.3 30.5 20.5 20.4 34 40 A E E -A 51 0A 114 17,-2.3 17,-1.9 -2,-0.4 2,-0.2 -0.956 27.4-119.1-119.8 134.9 31.1 19.2 23.9 35 41 A V E +A 50 0A 77 -2,-0.4 15,-0.2 15,-0.2 3,-0.1 -0.461 28.1 176.3 -64.3 133.0 30.5 15.7 25.2 36 42 A V E - 0 0 77 13,-3.0 2,-0.3 1,-0.3 14,-0.2 0.768 64.8 -26.2-104.0 -45.2 28.0 15.7 28.1 37 43 A R E -A 49 0A 126 12,-1.7 12,-3.0 0, 0.0 -1,-0.3 -0.928 62.3-102.3-169.2 144.9 27.8 11.9 28.7 38 44 A K E +A 48 0A 108 -2,-0.3 10,-0.3 10,-0.3 3,-0.1 -0.434 35.8 168.4 -65.8 141.9 28.3 8.5 26.9 39 45 A V E + 0 0 71 8,-3.1 2,-0.3 1,-0.4 9,-0.2 0.508 58.3 1.2-130.8 -15.9 25.0 6.9 26.0 40 46 A G E -A 47 0A 28 7,-2.0 7,-2.8 2,-0.0 -1,-0.4 -0.985 51.1-171.9-163.5 172.8 26.0 4.1 23.6 41 47 A R E +A 46 0A 177 -2,-0.3 2,-0.3 5,-0.3 5,-0.2 -0.976 7.9 164.1-167.8 158.4 28.7 2.1 21.9 42 48 A G - 0 0 28 3,-2.4 3,-0.4 -2,-0.3 -2,-0.0 -0.909 57.0 -66.5-163.2-173.8 29.4 -0.6 19.4 43 49 A K S S+ 0 0 162 -2,-0.3 3,-0.1 1,-0.2 -1,-0.0 0.829 129.7 29.3 -57.4 -32.4 32.0 -2.2 17.2 44 50 A Y S S+ 0 0 85 1,-0.1 21,-3.1 20,-0.1 2,-0.3 0.519 122.3 14.9-110.8 -5.5 32.4 1.0 15.0 45 51 A S E - B 0 64A 6 -3,-0.4 -3,-2.4 19,-0.3 2,-0.4 -0.990 50.7-134.4-162.1 160.5 31.6 3.9 17.3 46 52 A E E -AB 41 63A 68 17,-2.1 17,-2.9 -2,-0.3 2,-0.4 -0.991 29.5-152.5-122.5 139.5 31.0 5.5 20.7 47 53 A V E +AB 40 62A 31 -7,-2.8 -8,-3.1 -2,-0.4 -7,-2.0 -0.919 14.5 179.0-123.4 136.3 28.0 7.7 21.1 48 54 A F E -AB 38 61A 24 13,-2.4 13,-3.2 -2,-0.4 2,-0.4 -0.956 34.1-116.6-134.2 146.9 27.5 10.6 23.5 49 55 A E E -AB 37 60A 12 -12,-3.0 -13,-3.0 -2,-0.3 -12,-1.7 -0.707 49.9-178.8 -73.8 137.2 24.8 13.1 24.4 50 56 A G E -AB 35 59A 1 9,-3.0 9,-1.7 -2,-0.4 2,-0.4 -0.740 25.8-128.5-132.6 178.5 26.5 16.4 23.6 51 57 A I E -AB 34 58A 47 -17,-1.9 -17,-2.3 -2,-0.2 2,-0.8 -0.998 16.2-133.5-133.0 135.3 25.8 20.1 23.6 52 58 A N E > -A 33 0A 22 5,-2.8 4,-2.1 -2,-0.4 5,-0.5 -0.829 20.3-155.7 -83.6 111.6 26.3 22.6 20.8 53 59 A V T 4 S+ 0 0 49 -21,-2.7 -1,-0.1 -2,-0.8 -20,-0.1 0.668 85.0 59.8 -71.5 -14.6 28.1 25.3 22.6 54 60 A N T 4 S+ 0 0 104 -22,-0.5 -1,-0.2 1,-0.1 -21,-0.1 0.958 125.4 12.6 -72.7 -55.8 27.0 28.0 20.2 55 61 A N T 4 S- 0 0 83 2,-0.1 -2,-0.2 -3,-0.1 -1,-0.1 0.466 96.0-127.3-100.9 -4.3 23.2 27.6 20.6 56 62 A N < + 0 0 115 -4,-2.1 2,-0.3 1,-0.2 -3,-0.2 0.753 59.3 146.3 57.9 27.4 23.3 25.5 23.7 57 63 A E - 0 0 119 -5,-0.5 -5,-2.8 1,-0.1 -1,-0.2 -0.721 53.3-108.1 -89.5 143.1 21.0 23.0 22.1 58 64 A K E +B 51 0A 113 -2,-0.3 51,-0.5 -7,-0.2 2,-0.3 -0.246 45.0 168.2 -61.0 155.7 21.4 19.2 22.8 59 65 A C E -BC 50 108A 5 -9,-1.7 -9,-3.0 49,-0.2 2,-0.4 -0.944 35.1-108.3-156.1 172.9 22.9 17.0 20.1 60 66 A I E -BC 49 107A 18 47,-2.7 47,-2.6 -2,-0.3 2,-0.6 -0.956 25.1-157.7-111.5 133.8 24.2 13.5 19.6 61 67 A I E -BC 48 106A 8 -13,-3.2 -13,-2.4 -2,-0.4 2,-0.7 -0.943 5.6-169.5-114.5 114.4 28.0 13.0 19.1 62 68 A K E -BC 47 105A 10 43,-2.8 43,-2.6 -2,-0.6 2,-0.6 -0.898 6.9-159.4-107.6 108.8 29.0 9.8 17.3 63 69 A I E -BC 46 104A 46 -17,-2.9 -17,-2.1 -2,-0.7 2,-0.3 -0.773 16.9-136.1 -91.6 121.5 32.8 9.3 17.5 64 70 A L E -B 45 0A 10 39,-2.4 -19,-0.3 -2,-0.6 3,-0.1 -0.592 9.3-134.1 -86.6 133.1 33.9 6.9 14.8 65 71 A K - 0 0 74 -21,-3.1 -1,-0.1 -2,-0.3 2,-0.0 -0.376 48.3 -69.5 -76.2 159.3 36.4 4.1 15.5 66 72 A P S S+ 0 0 135 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.303 75.3 142.5 -53.9 123.0 39.3 3.5 13.1 67 73 A V - 0 0 49 -3,-0.1 5,-0.1 -2,-0.0 2,-0.0 -0.940 57.2 -62.7-149.8 172.2 38.0 2.1 9.8 68 74 A K >> - 0 0 170 -2,-0.3 4,-1.2 1,-0.1 3,-1.1 -0.345 45.7-125.5 -60.5 136.3 38.6 2.3 6.1 69 75 A K H 3> S+ 0 0 150 1,-0.3 4,-2.4 2,-0.2 3,-0.3 0.830 108.0 64.5 -53.3 -34.1 38.0 5.8 4.8 70 76 A K H 3> S+ 0 0 98 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.888 99.0 51.8 -60.6 -40.2 35.5 4.4 2.3 71 77 A K H <> S+ 0 0 35 -3,-1.1 4,-1.8 1,-0.2 -1,-0.2 0.831 110.0 51.0 -65.0 -32.6 33.1 3.2 5.0 72 78 A I H X S+ 0 0 22 -4,-1.2 4,-2.0 -3,-0.3 -2,-0.2 0.922 110.5 45.8 -72.8 -44.1 33.2 6.7 6.5 73 79 A K H X S+ 0 0 40 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.860 110.7 57.0 -63.2 -34.8 32.4 8.5 3.3 74 80 A R H X S+ 0 0 28 -4,-2.0 4,-2.2 -5,-0.2 5,-0.2 0.929 108.2 43.9 -64.7 -47.2 29.7 6.0 2.6 75 81 A E H X S+ 0 0 5 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.905 115.2 49.9 -64.4 -41.2 27.8 6.7 5.9 76 82 A I H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.940 111.6 47.3 -62.9 -47.5 28.2 10.4 5.4 77 83 A K H X S+ 0 0 37 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.912 113.3 48.1 -61.1 -45.5 26.9 10.4 1.9 78 84 A I H X S+ 0 0 0 -4,-2.2 4,-2.0 -5,-0.2 -1,-0.2 0.912 111.5 49.7 -63.7 -42.0 23.9 8.3 2.7 79 85 A L H X S+ 0 0 0 -4,-2.2 4,-1.4 1,-0.2 12,-0.3 0.900 111.5 49.5 -65.4 -40.8 23.0 10.4 5.7 80 86 A Q H < S+ 0 0 93 -4,-2.4 3,-0.2 1,-0.2 -2,-0.2 0.926 111.9 48.2 -62.0 -45.7 23.3 13.6 3.6 81 87 A N H < S+ 0 0 34 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.830 118.7 39.4 -64.3 -34.2 21.0 12.1 0.9 82 88 A L H >< S+ 0 0 0 -4,-2.0 3,-2.6 -5,-0.2 -1,-0.2 0.603 82.2 125.2 -93.7 -13.6 18.4 10.9 3.4 83 89 A X T 3< S+ 0 0 118 -4,-1.4 7,-0.1 1,-0.3 6,-0.1 -0.227 76.3 26.5 -51.7 130.2 18.5 13.9 5.7 84 90 A G T 3 S+ 0 0 47 1,-0.4 -1,-0.3 4,-0.3 3,-0.1 0.128 90.3 127.2 100.2 -20.4 14.9 15.2 6.0 85 91 A G S X S- 0 0 4 -3,-2.6 3,-1.6 1,-0.1 -1,-0.4 -0.256 75.4 -74.1 -65.3 158.5 13.2 11.9 5.3 86 92 A P T 3 S- 0 0 56 0, 0.0 -1,-0.1 0, 0.0 54,-0.1 -0.334 110.8 -11.0 -59.4 123.1 10.5 10.6 7.7 87 93 A N T 3 S+ 0 0 21 1,-0.2 80,-2.9 -2,-0.1 2,-0.5 0.699 96.0 136.9 62.3 21.3 12.0 9.2 10.9 88 94 A I B < -e 167 0B 1 -3,-1.6 -4,-0.3 78,-0.2 -1,-0.2 -0.873 63.0-110.8 -94.4 130.1 15.5 9.3 9.6 89 95 A V - 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0 0 49 -5,-0.3 -5,-2.3 -36,-0.0 -1,-0.2 -0.627 28.0-142.1 -72.2 120.8 39.3 11.0 14.8 103 109 A P E - D 0 96A 16 0, 0.0 -39,-2.4 0, 0.0 2,-0.4 -0.576 14.5-165.0 -85.8 149.3 36.0 11.9 13.0 104 110 A S E -CD 63 95A 8 -9,-3.4 -9,-2.6 -41,-0.2 2,-0.5 -1.000 9.3-149.2-131.7 133.9 32.7 12.7 14.8 105 111 A L E -CD 62 94A 0 -43,-2.6 -43,-2.8 -2,-0.4 2,-0.5 -0.875 14.5-148.7-100.9 132.7 29.3 12.8 13.2 106 112 A I E -CD 61 93A 1 -13,-2.9 -14,-3.0 -2,-0.5 -13,-1.6 -0.902 18.9-176.7-110.1 125.3 26.9 15.3 14.9 107 113 A F E -CD 60 91A 12 -47,-2.6 -47,-2.7 -2,-0.5 -16,-0.2 -0.814 36.1 -88.0-119.4 155.5 23.2 14.5 14.9 108 114 A E E -C 59 0A 30 -18,-2.2 -49,-0.2 -2,-0.3 2,-0.2 -0.209 65.3 -88.1 -46.6 148.5 19.9 16.1 16.0 109 115 A Y - 0 0 55 -51,-0.5 2,-0.4 -50,-0.1 -1,-0.1 -0.467 46.8-171.1 -69.3 136.6 19.3 15.2 19.6 110 116 A V - 0 0 19 -2,-0.2 2,-1.0 -3,-0.1 48,-0.1 -0.998 13.8-150.4-129.5 129.5 17.4 11.9 20.1 111 117 A N - 0 0 63 -2,-0.4 49,-0.1 46,-0.1 53,-0.1 -0.699 23.2-160.4-105.1 85.5 16.1 10.9 23.5 112 118 A N - 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0 0 68 -5,-1.5 -1,-0.2 -6,-0.2 -2,-0.2 -0.965 52.0-133.0-130.3 115.2 10.7 -13.3 22.6 224 230 A E S S+ 0 0 99 -2,-0.4 2,-0.1 1,-0.3 -9,-0.0 -0.951 92.3 7.0-115.1 117.5 13.9 -11.4 22.3 225 231 A P S S- 0 0 17 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 0.816 78.9-153.3 -85.6 169.7 15.3 -12.2 19.9 226 232 A F S S+ 0 0 25 -12,-0.3 2,-0.8 1,-0.2 -2,-0.1 0.932 91.0 39.7 -70.8 -46.4 12.9 -14.4 18.0 227 233 A F S S- 0 0 4 -37,-0.3 2,-0.9 -4,-0.1 -1,-0.2 -0.891 78.5-173.4-105.0 102.2 15.5 -16.4 16.1 228 234 A Y + 0 0 124 -2,-0.8 2,-0.3 -3,-0.2 -38,-0.0 -0.682 15.0 159.3-105.8 78.3 18.3 -17.0 18.7 229 235 A G - 0 0 0 -2,-0.9 6,-0.1 1,-0.1 3,-0.1 -0.717 37.4-143.8 -98.6 153.8 21.2 -18.7 17.0 230 236 A H S S+ 0 0 122 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.711 83.0 5.7 -91.2 -24.8 24.8 -18.6 18.3 231 237 A D S > S- 0 0 91 -42,-0.1 4,-2.6 1,-0.0 5,-0.2 -0.914 90.5 -88.8-144.6 176.9 26.6 -18.4 15.0 232 238 A N H > S+ 0 0 70 -2,-0.3 4,-1.7 1,-0.2 5,-0.1 0.842 125.2 50.4 -60.8 -36.4 25.5 -18.0 11.3 233 239 A H H > S+ 0 0 59 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.938 113.5 45.4 -63.4 -46.0 25.1 -21.7 10.7 234 240 A D H > S+ 0 0 37 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.841 106.8 60.8 -65.9 -35.8 23.0 -22.1 13.9 235 241 A Q H X S+ 0 0 0 -4,-2.6 4,-1.6 2,-0.2 -1,-0.2 0.903 105.4 46.9 -58.7 -44.0 21.0 -19.0 12.9 236 242 A L H X S+ 0 0 0 -4,-1.7 4,-2.7 2,-0.2 -1,-0.2 0.882 109.9 54.5 -67.3 -37.4 19.9 -20.7 9.6 237 243 A V H X S+ 0 0 8 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.944 106.2 51.2 -57.3 -47.7 19.1 -23.8 11.7 238 244 A K H < S+ 0 0 63 -4,-2.6 4,-0.4 1,-0.2 -1,-0.2 0.858 112.2 47.3 -60.6 -37.3 16.8 -21.8 14.0 239 245 A I H >X S+ 0 0 0 -4,-1.6 4,-2.9 1,-0.2 3,-1.4 0.937 110.6 50.8 -66.6 -49.2 15.0 -20.3 10.9 240 246 A A H 3X S+ 0 0 0 -4,-2.7 4,-1.8 1,-0.3 -2,-0.2 0.838 102.0 62.4 -57.2 -35.0 14.6 -23.8 9.3 241 247 A K H 3< S+ 0 0 89 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.706 117.0 29.7 -66.3 -20.8 13.1 -25.2 12.5 242 248 A V H <4 S+ 0 0 14 -3,-1.4 31,-2.8 -4,-0.4 -2,-0.2 0.824 126.7 37.6-102.3 -52.4 10.2 -22.7 12.2 243 249 A L H < S- 0 0 14 -4,-2.9 4,-0.3 29,-0.2 29,-0.2 0.642 109.5-122.3 -79.0 -14.5 9.7 -22.1 8.5 244 250 A G X - 0 0 2 -4,-1.8 4,-0.6 -5,-0.4 27,-0.2 0.216 11.2-102.3 86.0 151.2 10.5 -25.7 7.6 245 251 A T H > S+ 0 0 3 25,-2.4 4,-2.4 1,-0.2 5,-0.2 0.681 109.5 73.1 -83.6 -19.6 13.1 -27.1 5.2 246 252 A D H > S+ 0 0 126 24,-0.6 4,-1.7 1,-0.2 -1,-0.2 0.949 100.9 44.9 -56.7 -48.8 10.7 -27.8 2.3 247 253 A G H > S+ 0 0 31 -4,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.811 110.1 56.5 -63.9 -30.6 10.6 -24.0 1.6 248 254 A L H X S+ 0 0 4 -4,-0.6 4,-2.8 2,-0.2 -1,-0.2 0.896 105.6 49.5 -70.4 -42.1 14.3 -23.8 2.0 249 255 A N H X S+ 0 0 66 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.888 111.5 49.6 -61.9 -39.5 15.0 -26.4 -0.7 250 256 A V H X S+ 0 0 99 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.936 112.3 48.4 -63.1 -49.0 12.6 -24.6 -3.0 251 257 A Y H X S+ 0 0 4 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.947 112.8 46.7 -52.6 -57.0 14.4 -21.3 -2.3 252 258 A L H <>S+ 0 0 9 -4,-2.8 5,-3.1 1,-0.2 -1,-0.2 0.856 113.7 48.9 -59.2 -38.0 17.9 -22.7 -2.9 253 259 A N H ><5S+ 0 0 121 -4,-2.2 3,-1.1 3,-0.2 -1,-0.2 0.921 108.0 54.0 -69.4 -40.9 16.8 -24.4 -6.1 254 260 A K H 3<5S+ 0 0 110 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.922 116.8 36.8 -58.1 -46.1 15.2 -21.3 -7.5 255 261 A Y T 3<5S- 0 0 42 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.306 110.6-120.9 -91.9 10.1 18.4 -19.2 -7.0 256 262 A R T < 5 + 0 0 239 -3,-1.1 2,-0.4 1,-0.2 -3,-0.2 0.889 56.6 159.6 52.5 46.0 20.6 -22.2 -7.9 257 263 A I < - 0 0 31 -5,-3.1 2,-0.5 -6,-0.2 -1,-0.2 -0.841 31.1-150.8-102.3 133.7 22.4 -22.1 -4.6 258 264 A E - 0 0 186 -2,-0.4 2,-0.2 -60,-0.1 -5,-0.0 -0.897 12.9-141.6-105.0 130.8 24.3 -25.0 -3.1 259 265 A L - 0 0 28 -2,-0.5 -61,-0.1 1,-0.1 0, 0.0 -0.566 30.1 -95.2 -86.4 147.7 24.5 -25.4 0.6 260 266 A D > - 0 0 81 -2,-0.2 4,-3.8 1,-0.2 5,-0.3 -0.399 29.0-127.8 -57.5 134.2 27.7 -26.6 2.4 261 267 A P H > S+ 0 0 107 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.797 114.7 50.4 -54.7 -26.6 27.4 -30.4 3.0 262 268 A Q H > S+ 0 0 136 2,-0.2 4,-2.2 3,-0.1 3,-0.3 0.969 111.4 43.1 -73.1 -59.1 28.2 -29.3 6.6 263 269 A L H > S+ 0 0 7 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.893 113.6 54.3 -53.5 -42.1 25.5 -26.6 6.9 264 270 A E H X S+ 0 0 106 -4,-3.8 4,-1.9 1,-0.2 -1,-0.2 0.888 106.9 49.9 -62.5 -40.2 23.1 -29.0 5.1 265 271 A A H < S+ 0 0 77 -4,-1.3 -1,-0.2 -5,-0.3 -2,-0.2 0.904 111.6 50.0 -64.2 -42.0 23.7 -31.7 7.7 266 272 A L H < S+ 0 0 96 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.919 108.4 51.2 -59.9 -48.3 23.2 -29.3 10.5 267 273 A V H < S+ 0 0 5 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.900 84.7 166.4 -61.8 -41.5 19.9 -27.9 9.1 268 274 A G < - 0 0 36 -4,-1.9 2,-0.4 -5,-0.2 -1,-0.2 -0.337 46.6 -38.8 64.6-139.4 18.5 -31.4 8.8 269 275 A R + 0 0 188 -4,-0.1 2,-0.4 -2,-0.0 -1,-0.0 -0.988 59.9 168.7-131.4 128.8 14.8 -31.8 8.1 270 276 A H - 0 0 49 -2,-0.4 -25,-2.4 -30,-0.1 -24,-0.6 -0.994 28.3-130.5-144.6 136.2 11.9 -29.8 9.7 271 277 A S - 0 0 79 -2,-0.4 2,-0.4 -27,-0.2 -27,-0.4 -0.416 41.8 -97.9 -70.4 155.5 8.2 -29.3 9.1 272 278 A R - 0 0 158 -29,-0.2 -29,-0.2 -28,-0.1 -30,-0.1 -0.652 41.6-140.6 -73.2 128.3 6.9 -25.8 8.8 273 279 A K - 0 0 44 -31,-2.8 2,-0.1 -2,-0.4 -1,-0.0 -0.728 16.1-111.8 -94.6 142.2 5.4 -24.8 12.2 274 280 A P > - 0 0 92 0, 0.0 3,-1.8 0, 0.0 4,-0.3 -0.466 23.9-123.7 -67.9 142.4 2.2 -22.8 12.6 275 281 A W G > S+ 0 0 21 1,-0.3 3,-1.1 2,-0.2 4,-0.0 0.725 109.1 64.8 -58.0 -23.4 2.8 -19.3 13.9 276 282 A L G > S+ 0 0 100 1,-0.3 3,-2.0 2,-0.2 -1,-0.3 0.688 77.9 81.4 -78.4 -16.9 0.3 -20.0 16.8 277 283 A K G < S+ 0 0 134 -3,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.753 94.1 51.3 -52.3 -22.7 2.6 -22.7 18.2 278 284 A F G < S+ 0 0 29 -3,-1.1 2,-0.3 -4,-0.3 -1,-0.3 0.396 84.2 110.9-101.1 1.5 4.4 -19.7 19.7 279 285 A M < + 0 0 77 -3,-2.0 2,-0.2 5,-0.1 -58,-0.1 -0.585 40.0 154.3 -76.4 137.2 1.3 -18.1 21.3 280 286 A N >> - 0 0 62 -2,-0.3 4,-1.8 -59,-0.0 3,-1.3 -0.871 57.1 -79.5-150.5-174.8 1.2 -18.2 25.1 281 287 A A T 34 S+ 0 0 85 1,-0.3 4,-0.2 -2,-0.2 -2,-0.0 0.806 123.9 53.6 -66.9 -32.0 -0.3 -16.3 28.1 282 288 A D T 34 S+ 0 0 122 1,-0.2 -1,-0.3 -61,-0.1 4,-0.1 0.693 130.5 15.8 -71.8 -18.5 2.2 -13.5 28.1 283 289 A N T <> S+ 0 0 0 -3,-1.3 4,-0.7 -62,-0.1 3,-0.2 0.341 83.7 118.3-136.2 4.8 1.5 -12.8 24.4 284 290 A Q T < S+ 0 0 110 -4,-1.8 -3,-0.1 1,-0.3 -2,-0.1 0.740 85.8 38.8 -59.0 -29.1 -1.8 -14.5 23.4 285 291 A H T 4 S+ 0 0 117 -4,-0.2 3,-0.5 1,-0.2 -1,-0.3 0.807 103.6 64.2 -92.1 -37.0 -3.6 -11.3 22.4 286 292 A L T 4 S+ 0 0 3 1,-0.3 2,-0.5 -3,-0.2 -2,-0.2 0.670 95.8 72.6 -55.3 -14.7 -0.7 -9.4 20.8 287 293 A V < + 0 0 8 -4,-0.7 -1,-0.3 -67,-0.1 -8,-0.1 -0.362 68.5 158.9-105.8 53.7 -1.0 -12.3 18.4 288 294 A S > - 0 0 27 -2,-0.5 4,-2.1 -3,-0.5 3,-0.4 -0.184 57.2-100.8 -69.6 165.4 -4.2 -11.5 16.5 289 295 A P H > S+ 0 0 112 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.865 124.1 53.1 -55.1 -36.9 -5.0 -12.9 13.0 290 296 A E H > S+ 0 0 81 1,-0.2 4,-2.0 2,-0.2 27,-0.2 0.847 107.8 51.6 -69.8 -32.2 -4.0 -9.7 11.4 291 297 A A H > S+ 0 0 0 -3,-0.4 4,-2.8 2,-0.2 -1,-0.2 0.916 112.6 44.9 -67.5 -43.4 -0.6 -9.7 13.2 292 298 A I H X S+ 0 0 29 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.886 111.4 52.0 -69.3 -42.6 0.1 -13.3 12.0 293 299 A D H X S+ 0 0 63 -4,-2.6 4,-1.0 -5,-0.2 -1,-0.2 0.935 114.4 43.9 -58.9 -45.6 -1.0 -12.6 8.4 294 300 A F H >X S+ 0 0 0 -4,-2.0 3,-0.8 2,-0.2 4,-0.6 0.946 114.3 48.3 -65.7 -50.9 1.3 -9.6 8.3 295 301 A L H >X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 3,-1.9 0.929 108.3 55.4 -52.8 -46.5 4.2 -11.4 10.0 296 302 A D H 3< S+ 0 0 28 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.780 103.7 55.3 -62.0 -25.9 3.8 -14.4 7.7 297 303 A K H << S+ 0 0 68 -4,-1.0 10,-1.7 -3,-0.8 -1,-0.3 0.533 112.0 43.1 -86.1 -8.8 4.2 -12.1 4.7 298 304 A L H << S+ 0 0 0 -3,-1.9 2,-2.0 -4,-0.6 -2,-0.2 0.804 101.6 65.8 -97.5 -47.3 7.5 -10.7 5.9 299 305 A L < + 0 0 2 -4,-2.4 2,-0.4 -86,-0.1 -1,-0.2 -0.514 69.4 134.3 -81.4 76.2 9.2 -13.9 7.1 300 306 A R - 0 0 64 -2,-2.0 6,-0.1 -3,-0.2 5,-0.1 -0.977 56.5-137.6-120.0 135.5 9.6 -15.7 3.7 301 307 A Y S S+ 0 0 14 -2,-0.4 2,-0.6 1,-0.1 -106,-0.3 0.966 92.2 74.9 -50.6 -53.6 12.9 -17.4 2.6 302 308 A D S >> S- 0 0 8 1,-0.2 3,-2.2 -3,-0.1 4,-0.7 -0.487 71.5-158.2 -70.7 109.6 12.5 -15.9 -0.9 303 309 A H G >4 S+ 0 0 2 -2,-0.6 3,-0.6 1,-0.3 -1,-0.2 0.782 92.1 61.6 -58.6 -27.5 13.3 -12.2 -0.6 304 310 A Q G 34 S+ 0 0 53 1,-0.2 -1,-0.3 -301,-0.1 -2,-0.1 0.611 100.9 54.6 -75.7 -10.8 11.4 -11.6 -3.8 305 311 A E G <4 S+ 0 0 102 -3,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.614 86.1 103.4 -93.9 -17.5 8.2 -12.9 -2.0 306 312 A R S << S- 0 0 3 -4,-0.7 -8,-0.2 -3,-0.6 -9,-0.1 -0.337 81.2-100.0 -70.5 147.4 8.4 -10.5 1.0 307 313 A L - 0 0 25 -10,-1.7 2,-0.1 -13,-0.2 -1,-0.1 -0.335 36.6-121.7 -54.7 143.1 6.2 -7.4 1.2 308 314 A T > - 0 0 27 1,-0.1 4,-2.8 -304,-0.0 5,-0.2 -0.419 29.0-105.7 -74.5 164.3 7.8 -4.2 0.3 309 315 A A H > S+ 0 0 2 1,-0.2 4,-1.9 2,-0.2 -170,-0.2 0.908 123.4 51.8 -59.7 -39.9 7.9 -1.5 2.9 310 316 A L H > S+ 0 0 91 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.932 110.8 45.8 -62.3 -48.2 5.1 0.3 1.0 311 317 A E H >> S+ 0 0 83 1,-0.2 3,-1.1 2,-0.2 4,-0.6 0.933 109.9 55.3 -58.0 -49.2 2.9 -2.7 0.8 312 318 A A H >< S+ 0 0 0 -4,-2.8 3,-1.4 1,-0.3 6,-0.3 0.894 102.2 57.2 -51.4 -44.8 3.5 -3.5 4.5 313 319 A M H 3< S+ 0 0 20 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.785 107.0 49.1 -59.1 -30.5 2.3 0.0 5.4 314 320 A T H << S+ 0 0 85 -3,-1.1 -1,-0.3 -4,-1.0 -2,-0.2 0.520 80.4 121.1 -89.8 -4.8 -1.0 -0.6 3.7 315 321 A H S X< S- 0 0 13 -3,-1.4 3,-2.1 -4,-0.6 4,-0.2 -0.270 75.3-118.9 -59.7 142.1 -1.7 -4.0 5.4 316 322 A P G > S+ 0 0 71 0, 0.0 3,-2.5 0, 0.0 4,-0.3 0.776 107.6 79.9 -57.4 -23.2 -5.0 -3.9 7.4 317 323 A Y G 3 S+ 0 0 1 1,-0.3 3,-0.3 -27,-0.2 4,-0.1 0.885 99.7 41.4 -46.5 -38.9 -3.0 -4.7 10.5 318 324 A F G X> S+ 0 0 0 -3,-2.1 4,-2.3 -6,-0.3 3,-0.8 0.314 79.4 115.4 -91.8 8.6 -2.2 -0.9 10.5 319 325 A Q H <> S+ 0 0 110 -3,-2.5 4,-2.3 1,-0.3 -1,-0.2 0.833 77.0 48.6 -55.2 -36.0 -5.6 0.4 9.5 320 326 A Q H 3> S+ 0 0 108 -3,-0.3 4,-2.1 -4,-0.3 -1,-0.3 0.869 109.1 52.7 -72.3 -34.8 -6.2 2.2 12.8 321 327 A V H <> S+ 0 0 1 -3,-0.8 4,-1.8 2,-0.2 -2,-0.2 0.918 111.2 47.4 -65.1 -42.6 -2.8 3.9 12.7 322 328 A R H X S+ 0 0 63 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.931 111.0 51.2 -63.9 -44.9 -3.6 5.1 9.2 323 329 A A H X S+ 0 0 54 -4,-2.3 4,-1.8 -5,-0.2 -1,-0.2 0.880 110.1 49.5 -58.9 -39.9 -7.0 6.4 10.3 324 330 A A H < S+ 0 0 24 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.848 112.2 48.1 -70.4 -35.3 -5.5 8.3 13.2 325 331 A E H >< S+ 0 0 59 -4,-1.8 3,-1.6 1,-0.2 -2,-0.2 0.916 110.2 51.1 -70.1 -44.6 -2.9 9.9 11.0 326 332 A N H 3< S+ 0 0 132 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.867 102.2 60.6 -61.3 -37.1 -5.5 10.9 8.4 327 333 A S T 3< 0 0 101 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.454 360.0 360.0 -73.1 1.2 -7.7 12.5 11.0 328 334 A R < 0 0 200 -3,-1.6 -4,-0.0 -5,-0.1 -3,-0.0 -0.888 360.0 360.0-103.0 360.0 -4.8 14.9 11.8