==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 02-JUL-10 3NSZ . COMPND 2 MOLECULE: CASEIN KINASE II SUBUNIT ALPHA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.D.FERGUSON . 327 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15385.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 219 67.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 1.5 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 . 27 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 14.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 26.6 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 1 1 0 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 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 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 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 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 2 A S 0 0 159 0, 0.0 260,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -6.9 1.0 -30.4 -41.6 2 3 A G - 0 0 35 2,-0.1 260,-0.0 260,-0.0 0, 0.0 -0.157 360.0 -17.6 78.9-174.9 0.6 -27.1 -39.7 3 4 A P S S- 0 0 69 0, 0.0 258,-0.2 0, 0.0 259,-0.1 -0.257 71.2-109.2 -67.2 150.0 3.3 -25.3 -37.6 4 5 A V - 0 0 66 256,-2.5 203,-0.1 1,-0.1 -2,-0.1 -0.630 40.3-112.7 -75.1 134.7 6.4 -27.1 -36.6 5 6 A P - 0 0 94 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.173 32.4-163.7 -66.4 160.3 6.5 -27.8 -32.8 6 7 A S - 0 0 5 202,-0.1 178,-0.6 201,-0.1 2,-0.3 -0.980 8.4-162.8-142.5 152.2 9.0 -26.1 -30.5 7 8 A R - 0 0 128 -2,-0.3 202,-0.1 176,-0.1 5,-0.1 -0.975 34.0 -99.7-131.4 149.2 10.3 -26.7 -26.9 8 9 A A - 0 0 4 -2,-0.3 4,-0.1 4,-0.1 301,-0.1 -0.353 23.6-139.2 -61.8 146.0 12.2 -24.3 -24.6 9 10 A R S S+ 0 0 122 2,-0.1 2,-0.3 3,-0.1 -1,-0.1 0.609 86.3 40.6 -80.7 -16.2 16.0 -25.0 -24.6 10 11 A V S S+ 0 0 36 1,-0.1 200,-0.2 2,-0.1 -2,-0.1 -0.959 120.4 6.0-132.7 152.1 16.1 -24.5 -20.8 11 12 A Y S > S+ 0 0 61 -2,-0.3 3,-0.7 1,-0.1 4,-0.3 0.818 77.7 155.9 49.5 38.9 13.8 -25.5 -17.8 12 13 A T T 3 + 0 0 23 1,-0.2 3,-0.2 -4,-0.1 -4,-0.1 0.901 68.4 23.9 -65.2 -45.0 11.8 -27.5 -20.3 13 14 A D T 3> S+ 0 0 57 1,-0.2 4,-1.6 2,-0.1 -1,-0.2 0.122 82.0 117.7-112.0 20.9 10.2 -30.1 -18.1 14 15 A V T <4 S+ 0 0 32 -3,-0.7 -1,-0.2 1,-0.2 -2,-0.1 0.847 83.5 41.3 -63.7 -35.1 10.3 -28.3 -14.7 15 16 A N T >4 S+ 0 0 0 166,-0.4 3,-1.9 -4,-0.3 -1,-0.2 0.845 106.7 63.0 -79.3 -31.6 6.5 -28.3 -14.3 16 17 A T T 34 S+ 0 0 84 1,-0.3 -2,-0.2 -4,-0.1 -1,-0.2 0.857 104.2 50.0 -57.6 -36.2 6.1 -31.8 -15.7 17 18 A H T 3< S+ 0 0 154 -4,-1.6 -1,-0.3 2,-0.1 -2,-0.2 0.223 100.0 81.2 -89.1 12.0 8.1 -33.0 -12.6 18 19 A R S < S- 0 0 63 -3,-1.9 5,-0.1 1,-0.1 -3,-0.0 -0.903 87.6 -99.2-115.3 152.7 6.0 -31.1 -10.1 19 20 A P >> - 0 0 83 0, 0.0 3,-1.9 0, 0.0 4,-0.7 -0.206 37.4-104.7 -66.2 157.0 2.7 -32.2 -8.6 20 21 A R H >> S+ 0 0 152 1,-0.3 4,-3.0 2,-0.2 3,-0.6 0.808 114.9 70.0 -47.7 -40.6 -0.5 -30.7 -9.9 21 22 A E H 34 S+ 0 0 138 1,-0.2 -1,-0.3 2,-0.2 6,-0.0 0.804 95.0 56.1 -52.5 -32.4 -0.9 -28.4 -6.9 22 23 A Y H <4 S+ 0 0 30 -3,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.902 124.4 16.3 -67.4 -43.6 2.1 -26.3 -8.1 23 24 A W H << S+ 0 0 70 -4,-0.7 2,-1.8 -3,-0.6 3,-0.2 0.537 98.6 90.5-113.8 -12.8 0.7 -25.4 -11.6 24 25 A D >< + 0 0 34 -4,-3.0 3,-1.4 1,-0.2 4,-0.4 -0.571 48.3 166.7 -87.6 75.9 -3.0 -26.2 -11.5 25 26 A Y G > + 0 0 20 -2,-1.8 3,-1.3 1,-0.3 -1,-0.2 0.775 65.3 67.9 -64.2 -28.1 -3.9 -22.7 -10.4 26 27 A E G 3 S+ 0 0 101 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.778 101.3 50.5 -62.6 -24.0 -7.6 -23.1 -11.2 27 28 A S G < S+ 0 0 59 -3,-1.4 -1,-0.3 2,-0.1 2,-0.2 0.519 85.5 114.2 -88.7 -8.7 -7.8 -25.6 -8.3 28 29 A H < - 0 0 35 -3,-1.3 2,-0.5 -4,-0.4 54,-0.1 -0.467 63.4-137.6 -68.1 132.5 -6.0 -23.2 -5.8 29 30 A V - 0 0 106 -2,-0.2 2,-0.5 49,-0.0 -2,-0.1 -0.798 15.5-154.9 -91.6 123.1 -8.2 -22.1 -2.9 30 31 A V - 0 0 26 -2,-0.5 2,-0.4 2,-0.0 48,-0.0 -0.897 7.4-167.5 -99.8 130.4 -7.8 -18.4 -2.2 31 32 A E - 0 0 163 -2,-0.5 2,-0.5 68,-0.0 68,-0.1 -0.946 11.0-145.6-118.8 135.5 -8.6 -17.2 1.3 32 33 A W - 0 0 73 -2,-0.4 68,-0.3 66,-0.1 69,-0.1 -0.906 9.1-156.1-109.4 120.5 -8.9 -13.5 2.0 33 34 A G E -a 100 0A 36 66,-3.0 68,-1.8 -2,-0.5 2,-0.6 -0.031 38.6 -72.0 -79.6-170.4 -7.9 -11.8 5.2 34 35 A N E > -a 101 0A 73 66,-0.2 3,-1.2 1,-0.1 68,-0.2 -0.768 27.1-156.6 -94.4 124.4 -9.1 -8.5 6.6 35 36 A Q G > S+ 0 0 20 66,-2.5 3,-2.7 -2,-0.6 67,-0.2 0.610 77.3 93.0 -71.5 -8.6 -8.1 -5.3 4.9 36 37 A D G 3 S+ 0 0 89 65,-0.3 -1,-0.3 1,-0.3 22,-0.1 0.729 72.0 67.9 -58.9 -22.6 -8.6 -3.4 8.2 37 38 A D G < S+ 0 0 62 -3,-1.2 21,-2.6 20,-0.1 22,-0.6 0.593 94.2 73.8 -70.7 -10.1 -5.0 -3.9 9.1 38 39 A Y E < -B 57 0A 22 -3,-2.7 2,-0.6 19,-0.3 19,-0.2 -0.921 62.7-162.9-113.1 127.6 -4.2 -1.5 6.2 39 40 A Q E -B 56 0A 118 17,-2.9 17,-2.1 -2,-0.5 2,-0.2 -0.943 24.2-129.4-106.6 121.7 -4.7 2.3 6.1 40 41 A L E +B 55 0A 61 -2,-0.6 15,-0.3 15,-0.2 3,-0.1 -0.501 27.8 177.0 -69.7 133.5 -4.6 3.8 2.6 41 42 A V E - 0 0 68 13,-3.2 2,-0.3 1,-0.3 14,-0.2 0.823 57.6 -24.6-104.1 -50.5 -2.2 6.7 2.4 42 43 A R E -B 54 0A 140 12,-1.3 12,-3.1 0, 0.0 -1,-0.3 -0.967 64.5 -93.2-165.0 152.3 -2.2 7.8 -1.3 43 44 A K E +B 53 0A 125 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.492 31.9 178.0 -70.7 136.8 -2.9 6.6 -4.9 44 45 A L E - 0 0 89 8,-3.4 2,-0.3 1,-0.4 9,-0.2 0.638 58.7 -40.4-108.5 -31.1 0.3 5.3 -6.8 45 46 A G E -B 52 0A 29 7,-1.6 7,-3.1 2,-0.0 -1,-0.4 -0.964 48.6-104.7 177.2 172.7 -1.2 4.2 -10.1 46 47 A R E -B 51 0A 139 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.928 32.4-162.5-116.8 139.7 -4.0 2.5 -12.0 47 48 A G - 0 0 24 3,-2.9 3,-0.4 -2,-0.4 5,-0.0 -0.540 40.3 -89.2-109.1-176.6 -3.6 -0.9 -13.4 48 49 A K S S+ 0 0 150 1,-0.2 3,-0.0 -2,-0.2 -1,-0.0 0.840 126.3 6.9 -60.3 -39.4 -5.5 -2.9 -16.1 49 50 A Y S S+ 0 0 11 21,-0.0 21,-2.9 23,-0.0 2,-0.3 -0.060 126.6 53.8-138.2 37.7 -7.8 -4.3 -13.4 50 51 A S E - C 0 69A 4 -3,-0.4 -3,-2.9 19,-0.3 2,-0.4 -0.989 61.1-132.5-160.7 166.0 -6.9 -2.4 -10.2 51 52 A E E -BC 46 68A 86 17,-1.9 17,-2.8 -2,-0.3 2,-0.5 -0.992 34.2-149.1-121.5 129.2 -6.3 0.9 -8.4 52 53 A V E -BC 45 67A 28 -7,-3.1 -8,-3.4 -2,-0.4 -7,-1.6 -0.915 16.5-177.5-113.6 131.1 -3.0 0.8 -6.5 53 54 A F E -BC 43 66A 34 13,-2.7 13,-2.9 -2,-0.5 2,-0.3 -0.916 30.3-122.8-125.2 148.6 -2.3 2.7 -3.2 54 55 A E E +BC 42 65A 18 -12,-3.1 -13,-3.2 -2,-0.3 -12,-1.3 -0.660 47.2 171.8 -78.7 140.5 0.5 3.2 -0.8 55 56 A A E -BC 40 64A 0 9,-2.7 9,-2.5 -2,-0.3 2,-0.4 -0.909 30.6-129.1-145.1 170.4 -0.6 2.0 2.6 56 57 A I E -BC 39 63A 48 -17,-2.1 -17,-2.9 -2,-0.3 2,-0.8 -0.994 20.1-129.5-125.0 134.4 0.5 1.4 6.1 57 58 A N E >> -B 38 0A 11 5,-3.0 4,-1.9 -2,-0.4 3,-1.0 -0.769 20.6-157.0 -79.4 112.3 -0.0 -1.8 8.0 58 59 A I T 34 S+ 0 0 104 -21,-2.6 -1,-0.2 -2,-0.8 -20,-0.1 0.662 85.9 61.2 -66.9 -20.1 -1.4 -0.3 11.3 59 60 A T T 34 S+ 0 0 90 -22,-0.6 -1,-0.2 1,-0.1 -21,-0.1 0.714 127.7 6.6 -80.1 -25.8 -0.4 -3.4 13.3 60 61 A N T <4 S- 0 0 72 -3,-1.0 -2,-0.2 2,-0.1 -1,-0.1 0.311 94.6-115.7-140.9 8.6 3.3 -3.1 12.7 61 62 A N < + 0 0 126 -4,-1.9 -3,-0.2 1,-0.2 2,-0.1 0.448 57.6 157.0 66.0 8.5 3.9 0.2 10.8 62 63 A E - 0 0 110 -5,-0.3 -5,-3.0 -6,-0.1 2,-0.4 -0.407 41.6-131.0 -67.4 133.6 5.1 -1.5 7.6 63 64 A K E +C 56 0A 119 -7,-0.2 51,-0.7 -2,-0.1 2,-0.2 -0.735 42.9 158.5 -83.4 129.4 4.8 0.6 4.4 64 65 A V E -CD 55 113A 5 -9,-2.5 -9,-2.7 -2,-0.4 2,-0.4 -0.815 39.6-112.7-138.1-178.4 3.1 -1.6 1.7 65 66 A V E -CD 54 112A 17 47,-2.7 47,-2.9 -2,-0.2 2,-0.5 -0.969 21.0-153.5-123.3 137.2 1.2 -1.2 -1.5 66 67 A V E -CD 53 111A 0 -13,-2.9 -13,-2.7 -2,-0.4 2,-0.8 -0.973 0.6-160.1-115.0 118.6 -2.5 -2.3 -1.8 67 68 A K E -CD 52 110A 19 43,-3.2 43,-2.4 -2,-0.5 2,-0.6 -0.871 12.6-156.6 -99.5 100.5 -3.7 -3.3 -5.3 68 69 A I E -CD 51 109A 34 -17,-2.8 -17,-1.9 -2,-0.8 41,-0.2 -0.721 19.0-131.4 -85.8 115.8 -7.5 -3.0 -5.0 69 70 A L E -C 50 0A 7 39,-2.5 -19,-0.3 -2,-0.6 3,-0.1 -0.486 10.8-148.5 -80.4 140.4 -9.1 -5.2 -7.7 70 71 A K - 0 0 103 -21,-2.9 2,-0.1 -2,-0.2 -1,-0.1 -0.462 55.1 -64.2 -87.4 167.4 -11.7 -4.4 -10.2 71 72 A P S S+ 0 0 133 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.381 72.3 155.9 -59.5 128.6 -14.1 -7.2 -11.2 72 73 A V - 0 0 34 -2,-0.1 2,-0.0 -3,-0.1 -3,-0.0 -0.945 48.9 -76.5-146.3 161.6 -12.1 -10.0 -13.1 73 74 A K > - 0 0 166 -2,-0.3 4,-1.8 1,-0.1 3,-0.5 -0.339 35.8-128.5 -63.8 140.1 -12.5 -13.7 -13.7 74 75 A K H > S+ 0 0 151 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.870 110.1 59.2 -56.8 -37.3 -11.8 -16.0 -10.7 75 76 A K H > S+ 0 0 111 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.873 105.4 48.7 -58.5 -42.6 -9.4 -18.0 -13.0 76 77 A K H > S+ 0 0 45 -3,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.881 112.8 45.9 -68.9 -42.6 -7.3 -14.9 -13.8 77 78 A I H X S+ 0 0 14 -4,-1.8 4,-2.5 1,-0.2 5,-0.2 0.900 110.9 52.3 -70.6 -35.7 -7.0 -13.8 -10.1 78 79 A K H X S+ 0 0 51 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.871 109.2 52.1 -65.1 -36.6 -6.1 -17.4 -9.0 79 80 A R H X S+ 0 0 32 -4,-1.7 4,-2.4 2,-0.2 5,-0.2 0.949 111.1 45.0 -65.0 -48.8 -3.4 -17.4 -11.7 80 81 A E H X S+ 0 0 2 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.940 117.4 45.7 -61.0 -44.8 -1.8 -14.1 -10.6 81 82 A I H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.935 112.7 48.0 -64.7 -48.1 -2.0 -15.2 -6.9 82 83 A K H X S+ 0 0 21 -4,-2.8 4,-2.7 2,-0.2 -1,-0.2 0.912 113.8 47.7 -64.0 -39.6 -0.6 -18.7 -7.4 83 84 A I H X S+ 0 0 0 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.944 111.9 49.8 -63.8 -45.3 2.3 -17.4 -9.5 84 85 A L H X S+ 0 0 0 -4,-2.6 4,-0.7 -5,-0.2 12,-0.3 0.881 112.9 47.8 -60.0 -39.5 3.1 -14.7 -6.9 85 86 A E H >< S+ 0 0 52 -4,-2.6 3,-0.6 2,-0.2 -1,-0.2 0.925 111.0 49.7 -69.0 -39.7 3.0 -17.3 -4.2 86 87 A N H 3< S+ 0 0 24 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.867 118.3 39.8 -65.5 -34.2 5.2 -19.8 -6.1 87 88 A L H >< S+ 0 0 0 -4,-2.3 3,-2.4 -5,-0.2 -1,-0.2 0.476 83.9 131.3 -92.7 -4.5 7.8 -17.0 -6.8 88 89 A R T << S+ 0 0 116 -4,-0.7 7,-0.1 -3,-0.6 6,-0.1 -0.272 74.9 17.3 -58.4 128.4 7.6 -15.3 -3.4 89 90 A G T 3 S+ 0 0 67 4,-0.3 -1,-0.3 1,-0.3 3,-0.1 0.223 92.8 133.3 95.5 -12.7 11.1 -14.7 -2.0 90 91 A G S X S- 0 0 8 -3,-2.4 3,-2.0 1,-0.2 -1,-0.3 -0.299 71.3 -73.7 -68.7 160.3 12.9 -15.1 -5.3 91 92 A P T 3 S- 0 0 57 0, 0.0 -1,-0.2 0, 0.0 54,-0.2 -0.262 111.9 -11.0 -59.0 122.9 15.5 -12.6 -6.4 92 93 A N T 3 S+ 0 0 14 1,-0.2 80,-2.9 -3,-0.1 2,-0.5 0.610 97.5 134.3 63.7 18.6 14.0 -9.3 -7.6 93 94 A I B < -f 172 0B 3 -3,-2.0 -4,-0.3 78,-0.2 -1,-0.2 -0.836 64.0-111.3 -95.1 132.1 10.5 -10.7 -7.6 94 95 A I - 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0 0 92 -5,-1.4 -1,-0.2 -6,-0.2 -2,-0.1 -0.846 51.8-143.8-142.0 96.8 15.1 5.6 -28.3 229 230 A E S S+ 0 0 72 -2,-0.3 2,-0.1 1,-0.2 -9,-0.1 -0.953 83.7 16.5-121.8 121.4 12.0 4.7 -26.3 230 231 A P S S- 0 0 16 0, 0.0 3,-0.2 0, 0.0 -1,-0.2 0.657 80.4-156.4 -76.9 163.9 10.3 2.5 -27.3 231 232 A F S S+ 0 0 5 -12,-0.3 2,-0.6 1,-0.2 -2,-0.1 0.920 86.2 38.5 -73.6 -44.8 12.7 1.0 -29.8 232 233 A F S S- 0 0 3 -37,-0.4 2,-0.7 2,-0.0 -1,-0.2 -0.946 75.0-174.5-109.9 107.0 10.1 -0.6 -32.1 233 234 A H + 0 0 89 -2,-0.6 -38,-0.1 -3,-0.2 2,-0.1 -0.541 9.8 175.2-108.4 64.7 7.2 1.9 -32.4 234 235 A G - 0 0 1 -2,-0.7 6,-0.1 1,-0.1 3,-0.1 -0.328 35.5-136.0 -73.8 154.0 4.4 0.2 -34.4 235 236 A H S S- 0 0 129 1,-0.1 2,-0.3 -2,-0.1 -1,-0.1 0.641 87.0 -17.0 -73.5 -26.7 1.0 1.7 -35.0 236 237 A D S > S- 0 0 71 -42,-0.1 4,-2.1 -41,-0.0 5,-0.1 -0.908 91.2 -71.7-165.7-176.9 -0.7 -1.7 -34.2 237 238 A N H > S+ 0 0 69 -2,-0.3 4,-0.9 2,-0.2 -3,-0.0 0.790 129.3 47.5 -67.7 -28.2 0.4 -5.4 -34.0 238 239 A Y H >> S+ 0 0 57 2,-0.2 4,-1.4 1,-0.2 3,-0.7 0.945 113.6 45.1 -76.8 -48.5 0.8 -5.7 -37.8 239 240 A D H 3> S+ 0 0 26 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.805 103.5 67.9 -64.4 -25.1 2.9 -2.5 -38.2 240 241 A Q H 3X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.917 100.7 47.5 -59.8 -41.3 4.9 -3.6 -35.1 241 242 A L H X S+ 0 0 0 -4,-1.9 4,-3.0 1,-0.2 3,-1.7 0.933 111.0 53.1 -65.8 -45.1 11.0 -5.0 -36.5 245 246 A A H 3X S+ 0 0 0 -4,-3.0 4,-1.7 1,-0.3 -2,-0.2 0.810 100.5 61.1 -61.9 -30.2 11.5 -6.0 -40.2 246 247 A K H 3< S+ 0 0 106 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.627 117.4 31.1 -71.9 -11.6 12.9 -2.6 -41.0 247 248 A V H <4 S+ 0 0 14 -3,-1.7 31,-2.8 -4,-0.3 -2,-0.2 0.786 128.8 33.4-107.6 -53.6 15.7 -3.3 -38.5 248 249 A L H < S- 0 0 0 -4,-3.0 4,-0.3 29,-0.2 29,-0.3 0.637 111.1-120.4 -81.9 -13.5 16.3 -7.1 -38.5 249 250 A G X - 0 0 3 -4,-1.7 4,-0.6 -5,-0.4 27,-0.2 0.132 10.3-101.6 90.4 154.4 15.4 -7.4 -42.2 250 251 A T H > S+ 0 0 7 25,-2.6 4,-2.7 2,-0.2 5,-0.2 0.758 109.2 69.1 -82.6 -26.9 12.8 -9.3 -44.1 251 252 A E H > S+ 0 0 139 24,-0.6 4,-2.2 1,-0.2 -1,-0.1 0.950 104.5 41.7 -59.8 -48.2 15.0 -12.2 -45.3 252 253 A D H > S+ 0 0 71 -4,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.785 112.4 56.0 -70.6 -27.0 15.5 -13.6 -41.8 253 254 A L H X S+ 0 0 0 -4,-0.6 4,-2.4 2,-0.2 -2,-0.2 0.951 110.4 43.5 -65.9 -51.5 11.8 -13.0 -41.0 254 255 A Y H X S+ 0 0 69 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.872 111.9 54.5 -64.7 -30.9 10.7 -15.1 -44.1 255 256 A D H X S+ 0 0 91 -4,-2.2 4,-2.9 -5,-0.2 -1,-0.2 0.905 109.0 48.5 -65.7 -38.8 13.4 -17.7 -43.2 256 257 A Y H X S+ 0 0 6 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.921 111.6 49.3 -64.8 -47.4 11.8 -18.0 -39.6 257 258 A I H <>S+ 0 0 16 -4,-2.4 5,-2.4 1,-0.2 4,-0.4 0.924 114.0 46.0 -59.0 -44.3 8.3 -18.3 -41.1 258 259 A D H ><5S+ 0 0 129 -4,-2.5 3,-1.3 3,-0.2 -2,-0.2 0.931 109.2 55.2 -66.0 -45.8 9.5 -21.0 -43.4 259 260 A K H 3<5S+ 0 0 108 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.897 117.4 34.7 -55.3 -42.8 11.5 -22.9 -40.7 260 261 A Y T 3<5S- 0 0 4 -4,-2.0 -256,-2.5 -5,-0.1 -1,-0.3 0.347 107.0-122.0 -95.3 6.5 8.4 -23.2 -38.4 261 262 A N T < 5 + 0 0 77 -3,-1.3 2,-0.4 -4,-0.4 -3,-0.2 0.918 46.8 178.8 52.0 47.0 5.8 -23.6 -41.3 262 263 A I < - 0 0 15 -5,-2.4 2,-0.8 -6,-0.2 -1,-0.2 -0.669 29.5-133.6 -83.9 132.7 4.0 -20.6 -40.0 263 264 A E - 0 0 184 -2,-0.4 2,-0.4 -59,-0.2 -1,-0.0 -0.812 26.5-142.6 -88.1 107.7 0.9 -19.5 -42.0 264 265 A L - 0 0 31 -2,-0.8 5,-0.1 1,-0.1 -61,-0.1 -0.640 19.4-108.4 -79.3 128.6 1.4 -15.8 -42.4 265 266 A D > - 0 0 62 -2,-0.4 3,-1.8 1,-0.1 4,-0.4 -0.297 32.0-121.3 -52.8 127.6 -1.7 -13.6 -42.2 266 267 A P T >> S+ 0 0 118 0, 0.0 3,-0.7 0, 0.0 4,-0.6 0.733 105.5 67.4 -50.6 -27.4 -2.4 -12.3 -45.8 267 268 A R H 3> S+ 0 0 145 1,-0.2 4,-1.5 2,-0.1 3,-0.2 0.796 89.2 70.3 -65.8 -22.4 -2.1 -8.5 -44.9 268 269 A F H <> S+ 0 0 2 -3,-1.8 4,-2.8 1,-0.2 5,-0.3 0.834 84.8 62.0 -62.9 -39.5 1.6 -9.0 -44.1 269 270 A N H <> S+ 0 0 110 -3,-0.7 4,-1.0 -4,-0.4 -1,-0.2 0.940 108.4 43.7 -57.8 -39.4 2.9 -9.5 -47.7 270 271 A D H < S+ 0 0 146 -4,-0.6 -1,-0.2 -3,-0.2 -2,-0.2 0.896 121.2 39.3 -69.5 -39.6 1.7 -6.0 -48.8 271 272 A I H < S+ 0 0 65 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.762 106.7 60.5 -86.7 -26.5 2.9 -4.2 -45.6 272 273 A L H < S+ 0 0 0 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.1 0.829 74.5 172.1 -70.2 -35.5 6.3 -6.0 -45.0 273 274 A G < - 0 0 43 -4,-1.0 2,-0.4 -5,-0.3 -1,-0.1 -0.207 48.0 -56.3 60.1-145.5 7.9 -5.0 -48.3 274 275 A R + 0 0 169 -25,-0.0 2,-0.4 -24,-0.0 -1,-0.1 -0.995 60.5 170.5-135.8 124.8 11.6 -5.8 -48.6 275 276 A H - 0 0 50 -2,-0.4 -25,-2.6 -30,-0.1 -24,-0.6 -0.997 24.7-139.8-141.2 133.9 14.1 -4.6 -46.1 276 277 A S - 0 0 74 -2,-0.4 -27,-0.4 -27,-0.2 2,-0.1 -0.520 44.6 -86.3 -80.2 160.7 17.8 -5.3 -45.6 277 278 A R - 0 0 89 -29,-0.3 2,-0.6 -2,-0.2 -29,-0.2 -0.422 36.1-135.4 -65.8 138.1 19.1 -5.6 -42.0 278 279 A K - 0 0 57 -31,-2.8 5,-0.1 -2,-0.1 -1,-0.1 -0.888 26.8-120.2 -94.0 117.9 20.1 -2.2 -40.4 279 280 A R > - 0 0 186 -2,-0.6 3,-1.8 1,-0.1 4,-0.2 -0.279 17.6-122.4 -57.1 140.5 23.5 -2.8 -38.7 280 281 A W G > S+ 0 0 14 1,-0.3 3,-2.2 2,-0.2 4,-0.3 0.839 108.7 68.7 -57.2 -32.6 23.3 -2.0 -34.9 281 282 A E G > S+ 0 0 113 1,-0.3 3,-1.6 2,-0.2 -1,-0.3 0.771 84.6 72.1 -59.7 -22.0 26.1 0.6 -35.2 282 283 A R G < S+ 0 0 167 -3,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.654 92.4 55.6 -66.9 -17.3 23.6 2.7 -37.2 283 284 A F G < S+ 0 0 19 -3,-2.2 2,-0.4 -4,-0.2 -1,-0.3 0.472 87.4 99.0 -90.1 -7.6 21.7 3.5 -34.0 284 285 A V < + 0 0 48 -3,-1.6 2,-0.3 -4,-0.3 -58,-0.1 -0.693 47.1 152.7 -85.3 132.1 24.8 4.9 -32.3 285 286 A H >> - 0 0 94 -2,-0.4 4,-1.8 -59,-0.0 3,-1.2 -0.860 58.8 -77.4-147.4-178.8 25.3 8.6 -32.2 286 287 A S T 34 S+ 0 0 88 -2,-0.3 4,-0.2 1,-0.3 -2,-0.0 0.763 123.5 50.0 -56.1 -32.7 26.9 11.4 -30.1 287 288 A E T 34 S+ 0 0 116 1,-0.2 -1,-0.3 2,-0.1 -3,-0.0 0.628 122.4 27.9 -87.6 -12.2 24.2 11.4 -27.4 288 289 A N T X4 S+ 0 0 0 -3,-1.2 3,-2.4 -62,-0.1 4,-0.4 0.453 87.9 99.8-122.0 -2.7 24.1 7.6 -26.7 289 290 A Q G >< S+ 0 0 107 -4,-1.8 3,-1.3 1,-0.3 -3,-0.1 0.778 76.4 62.7 -61.7 -27.8 27.6 6.4 -27.6 290 291 A H G 3 S+ 0 0 82 1,-0.3 -1,-0.3 -4,-0.2 -161,-0.2 0.610 103.8 50.7 -70.1 -13.5 28.8 6.4 -24.0 291 292 A L G < S+ 0 0 1 -3,-2.4 2,-0.3 -66,-0.3 -1,-0.3 0.425 100.8 81.1 -98.4 -5.8 26.1 3.7 -23.3 292 293 A V < + 0 0 25 -3,-1.3 3,-0.1 -4,-0.4 -163,-0.1 -0.779 48.2 157.7-108.6 146.3 27.3 1.5 -26.2 293 294 A S > - 0 0 17 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.954 56.2-100.0-152.6 164.6 30.2 -0.9 -26.4 294 295 A P H > S+ 0 0 104 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.892 125.9 52.7 -57.9 -36.2 31.1 -3.9 -28.6 295 296 A E H > S+ 0 0 80 2,-0.2 4,-2.5 1,-0.2 27,-0.3 0.906 106.8 51.1 -67.8 -40.8 29.8 -6.1 -25.7 296 297 A A H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.909 112.6 46.4 -62.0 -41.8 26.5 -4.2 -25.5 297 298 A L H X S+ 0 0 16 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.892 111.9 49.7 -71.0 -36.0 25.9 -4.6 -29.2 298 299 A D H X S+ 0 0 61 -4,-2.2 4,-1.2 -5,-0.2 -2,-0.2 0.927 112.9 48.2 -67.3 -41.8 26.8 -8.3 -29.2 299 300 A F H >< S+ 0 0 0 -4,-2.5 3,-0.6 2,-0.2 4,-0.5 0.949 113.4 46.5 -61.5 -51.0 24.5 -8.9 -26.3 300 301 A L H >X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 3,-1.7 0.924 107.6 57.6 -59.4 -39.7 21.6 -7.0 -28.0 301 302 A D H 3< S+ 0 0 43 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.798 105.8 50.7 -61.5 -31.4 22.2 -8.9 -31.2 302 303 A K T << S+ 0 0 61 -4,-1.2 10,-2.2 -3,-0.6 -1,-0.3 0.457 113.7 44.2 -89.3 -1.6 21.7 -12.2 -29.4 303 304 A L T <4 S+ 0 0 0 -3,-1.7 2,-1.8 -4,-0.5 -2,-0.2 0.786 103.1 62.5-101.4 -46.7 18.4 -11.1 -27.8 304 305 A L S < S+ 0 0 0 -4,-2.6 2,-0.4 -86,-0.1 -1,-0.2 -0.545 74.4 129.4 -87.9 74.4 16.7 -9.4 -30.8 305 306 A R - 0 0 76 -2,-1.8 6,-0.1 -3,-0.2 -3,-0.0 -0.983 58.2-137.8-125.8 141.0 16.4 -12.5 -33.1 306 307 A Y S S+ 0 0 8 -2,-0.4 2,-0.8 1,-0.1 -106,-0.2 0.942 90.7 75.0 -60.2 -50.6 13.3 -13.7 -34.9 307 308 A D S > S- 0 0 27 1,-0.2 3,-1.8 -3,-0.1 4,-0.4 -0.553 72.2-157.1 -72.0 108.5 14.0 -17.3 -34.1 308 309 A H G > S+ 0 0 1 -2,-0.8 3,-1.1 1,-0.3 -1,-0.2 0.811 90.3 60.2 -57.4 -30.8 13.0 -17.6 -30.4 309 310 A Q G 3 S+ 0 0 58 1,-0.2 -1,-0.3 -301,-0.1 4,-0.1 0.749 100.5 56.5 -68.4 -23.7 15.3 -20.7 -30.0 310 311 A S G < S+ 0 0 43 -3,-1.8 -1,-0.2 2,-0.1 -2,-0.2 0.492 85.6 100.7 -88.6 -4.5 18.3 -18.7 -31.1 311 312 A R S < S- 0 0 3 -3,-1.1 -8,-0.2 -4,-0.4 -9,-0.1 -0.500 85.0 -96.6 -77.3 152.8 18.0 -16.0 -28.4 312 313 A L - 0 0 23 -10,-2.2 2,-0.1 -13,-0.2 -1,-0.1 -0.354 36.3-127.4 -57.4 140.5 20.1 -16.1 -25.2 313 314 A T > - 0 0 19 1,-0.1 4,-2.8 -4,-0.1 5,-0.2 -0.445 31.5-102.7 -75.9 167.5 18.4 -17.8 -22.3 314 315 A A H > S+ 0 0 2 1,-0.2 4,-2.1 2,-0.2 -170,-0.2 0.911 124.5 48.7 -60.3 -40.2 18.4 -15.6 -19.1 315 316 A R H > S+ 0 0 35 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.907 111.5 48.3 -69.4 -37.7 21.2 -17.8 -17.7 316 317 A E H >4 S+ 0 0 74 1,-0.2 3,-0.9 2,-0.2 -1,-0.2 0.915 109.6 54.2 -65.4 -39.3 23.3 -17.5 -20.8 317 318 A A H >< S+ 0 0 0 -4,-2.8 3,-2.0 1,-0.3 6,-0.2 0.913 101.8 57.8 -61.2 -39.5 22.7 -13.7 -20.8 318 319 A M H 3< S+ 0 0 29 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.756 105.2 52.1 -63.6 -22.0 24.0 -13.5 -17.3 319 320 A E T << S+ 0 0 137 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.341 84.4 119.6 -93.1 3.9 27.3 -15.0 -18.5 320 321 A H S X S- 0 0 10 -3,-2.0 3,-2.4 -4,-0.2 4,-0.2 -0.440 75.8-118.3 -73.7 145.4 27.7 -12.5 -21.3 321 322 A P G > S+ 0 0 48 0, 0.0 3,-2.0 0, 0.0 4,-0.3 0.731 107.8 76.2 -51.1 -25.0 30.8 -10.2 -21.4 322 323 A Y G 3 S+ 0 0 0 -27,-0.3 3,-0.4 1,-0.3 -26,-0.1 0.805 99.2 44.6 -57.1 -29.2 28.5 -7.1 -21.2 323 324 A F G X S+ 0 0 10 -3,-2.4 3,-1.6 -6,-0.2 -1,-0.3 0.382 81.7 99.4 -97.3 5.3 28.1 -8.0 -17.5 324 325 A Y T < S+ 0 0 178 -3,-2.0 -1,-0.2 1,-0.3 -2,-0.1 0.759 84.4 51.7 -62.1 -24.8 31.9 -8.7 -16.8 325 326 A T T 3 S+ 0 0 86 -3,-0.4 2,-0.4 -4,-0.3 -1,-0.3 0.477 86.4 107.5 -87.0 -7.8 32.2 -5.2 -15.3 326 327 A V < 0 0 25 -3,-1.6 -3,-0.0 -193,-0.1 -196,-0.0 -0.635 360.0 360.0 -79.1 127.5 29.2 -5.7 -12.9 327 328 A V 0 0 163 -2,-0.4 -2,-0.1 0, 0.0 -1,-0.1 -0.493 360.0 360.0 -66.2 360.0 30.1 -6.1 -9.2