==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 10-JAN-11 3Q9Y . COMPND 2 MOLECULE: CASEIN KINASE II SUBUNIT ALPHA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR R.BATTISTUTTA,A.RANCHIO,E.PAPINUTTO . 327 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16152.0 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 . 25 7.6 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 . 89 27.2 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 2 1 0 1 0 0 1 1 1 1 0 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 3 A G 0 0 105 0, 0.0 260,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-176.2 6.1 -13.5 28.7 2 4 A P - 0 0 77 0, 0.0 258,-0.2 0, 0.0 259,-0.1 -0.290 360.0-116.1 -74.5 150.3 6.2 -10.9 31.6 3 5 A V - 0 0 53 256,-2.4 255,-0.0 1,-0.1 256,-0.0 -0.608 40.8-115.1 -73.3 133.7 7.9 -11.6 35.0 4 6 A P - 0 0 94 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.308 30.7-159.6 -71.2 162.2 5.2 -11.6 37.7 5 7 A S - 0 0 7 201,-0.1 178,-0.6 202,-0.1 2,-0.3 -0.957 8.4-170.0-136.1 153.0 5.0 -9.1 40.5 6 8 A R - 0 0 151 -2,-0.3 202,-0.1 176,-0.1 2,-0.1 -0.976 34.5 -95.0-139.3 155.5 3.5 -8.7 44.0 7 9 A A - 0 0 1 -2,-0.3 4,-0.1 200,-0.1 301,-0.1 -0.366 22.9-143.6 -62.2 142.1 3.0 -6.0 46.6 8 10 A R S S+ 0 0 181 -2,-0.1 2,-0.3 2,-0.1 -1,-0.1 0.538 85.1 43.1 -87.4 -7.3 5.7 -5.9 49.2 9 11 A V S S+ 0 0 50 1,-0.1 200,-0.2 2,-0.1 -2,-0.1 -0.955 120.3 5.7-134.6 151.2 3.1 -4.9 51.9 10 12 A Y S > S+ 0 0 68 -2,-0.3 3,-1.0 1,-0.1 4,-0.3 0.812 78.0 157.8 49.7 37.3 -0.5 -6.0 52.7 11 13 A T T 3 + 0 0 19 1,-0.3 3,-0.2 -4,-0.1 -4,-0.1 0.918 68.9 24.7 -62.2 -42.3 0.1 -8.7 50.0 12 14 A D T >> S+ 0 0 68 1,-0.2 4,-1.1 169,-0.1 3,-0.7 0.040 79.4 122.4-115.7 22.9 -2.6 -11.2 51.2 13 15 A V T <4 S+ 0 0 37 -3,-1.0 3,-0.3 1,-0.3 -1,-0.2 0.885 81.2 42.8 -60.4 -38.7 -5.1 -9.0 53.1 14 16 A N T 34 S+ 0 0 1 166,-0.5 3,-0.5 -4,-0.3 -1,-0.3 0.672 103.3 65.5 -78.8 -17.9 -8.0 -10.0 50.9 15 17 A T T <4 S+ 0 0 82 -3,-0.7 -1,-0.2 1,-0.2 -2,-0.2 0.805 107.2 42.7 -74.1 -26.4 -7.2 -13.8 50.8 16 18 A H S < S+ 0 0 156 -4,-1.1 -1,-0.2 -3,-0.3 -2,-0.2 0.327 98.6 95.6 -95.3 1.3 -7.8 -14.1 54.6 17 19 A R S S- 0 0 91 -3,-0.5 2,-0.1 -4,-0.1 5,-0.1 -0.565 89.1 -93.6 -88.2 156.9 -10.9 -12.0 54.6 18 20 A P >> - 0 0 67 0, 0.0 3,-1.2 0, 0.0 4,-0.7 -0.443 38.2-113.5 -66.2 150.7 -14.4 -13.4 54.4 19 21 A R H >> S+ 0 0 175 1,-0.3 4,-2.3 2,-0.2 3,-0.7 0.861 113.4 68.8 -53.8 -40.0 -15.6 -13.6 50.8 20 22 A E H 34 S+ 0 0 148 1,-0.2 -1,-0.3 2,-0.2 6,-0.1 0.881 92.7 61.9 -45.2 -45.4 -18.3 -11.0 51.6 21 23 A Y H <4 S+ 0 0 14 -3,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.864 119.5 16.8 -56.6 -47.8 -15.6 -8.3 52.0 22 24 A W H << S+ 0 0 58 -3,-0.7 2,-1.8 -4,-0.7 -1,-0.2 0.668 100.4 88.4-103.6 -16.0 -14.1 -8.4 48.4 23 25 A D >< + 0 0 35 -4,-2.3 3,-1.6 1,-0.2 4,-0.3 -0.541 48.6 167.8 -87.0 76.8 -16.8 -10.1 46.2 24 26 A Y G > + 0 0 20 -2,-1.8 3,-1.0 1,-0.3 -1,-0.2 0.716 65.3 72.1 -69.2 -23.7 -18.6 -6.9 45.4 25 27 A E G 3 S+ 0 0 112 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.818 99.5 49.2 -60.1 -27.2 -20.7 -8.6 42.7 26 28 A S G < S+ 0 0 82 -3,-1.6 -1,-0.2 -6,-0.1 -2,-0.2 0.517 84.8 121.9 -91.5 -6.9 -22.6 -10.4 45.5 27 29 A H < - 0 0 25 -3,-1.0 2,-0.6 -4,-0.3 54,-0.0 -0.284 53.4-147.5 -59.7 134.7 -23.2 -7.3 47.5 28 30 A V - 0 0 108 -2,-0.0 2,-0.2 49,-0.0 -2,-0.1 -0.924 20.0-132.0-103.4 122.7 -26.9 -6.4 48.3 29 31 A V - 0 0 24 -2,-0.6 2,-0.7 1,-0.0 48,-0.0 -0.547 6.8-141.0 -75.0 136.1 -27.4 -2.6 48.4 30 32 A E - 0 0 133 -2,-0.2 2,-0.4 69,-0.0 68,-0.3 -0.910 23.8-150.1 -93.8 111.7 -29.3 -1.2 51.4 31 33 A W - 0 0 101 -2,-0.7 68,-0.2 66,-0.1 2,-0.1 -0.710 9.9-162.0 -88.7 133.3 -31.4 1.6 49.9 32 34 A G - 0 0 24 66,-3.0 2,-0.6 -2,-0.4 68,-0.4 -0.067 41.4 -69.1 -89.4-162.5 -32.4 4.7 51.9 33 35 A N > - 0 0 113 1,-0.1 3,-1.7 66,-0.1 4,-0.2 -0.839 30.9-156.9-102.7 111.9 -35.2 7.1 51.2 34 36 A Q G > S+ 0 0 85 -2,-0.6 3,-1.4 1,-0.3 -1,-0.1 0.775 89.9 68.1 -59.1 -23.0 -34.7 9.3 48.1 35 37 A D G 3 S+ 0 0 113 1,-0.3 -1,-0.3 21,-0.0 22,-0.2 0.708 82.8 73.2 -69.0 -21.2 -37.2 11.9 49.5 36 38 A D G < S+ 0 0 36 -3,-1.7 21,-2.7 20,-0.1 22,-0.5 0.688 92.8 66.8 -65.1 -18.4 -34.8 12.8 52.3 37 39 A Y E < -A 56 0A 25 -3,-1.4 2,-0.5 -4,-0.2 19,-0.2 -0.909 57.5-171.9-119.0 138.6 -32.5 14.6 49.8 38 40 A Q E -A 55 0A 114 17,-2.3 17,-2.2 -2,-0.4 2,-0.2 -0.993 24.6-129.5-129.5 117.6 -33.1 17.7 47.8 39 41 A L E +A 54 0A 76 -2,-0.5 15,-0.3 15,-0.2 3,-0.1 -0.472 26.6 175.6 -66.2 136.7 -30.7 18.8 45.1 40 42 A V E - 0 0 75 13,-3.4 2,-0.3 1,-0.4 14,-0.2 0.793 60.5 -9.4-113.8 -45.2 -29.5 22.5 45.3 41 43 A R E -A 53 0A 132 12,-1.6 12,-2.9 0, 0.0 -1,-0.4 -0.981 63.6-110.1-157.3 147.1 -26.9 23.0 42.6 42 44 A K E +A 52 0A 116 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.600 28.4 178.8 -78.9 130.0 -24.9 21.0 40.1 43 45 A L E - 0 0 96 8,-3.6 2,-0.3 1,-0.4 9,-0.2 0.710 57.3 -28.3-100.4 -26.8 -21.2 20.9 40.9 44 46 A G E -A 51 0A 31 7,-1.5 7,-3.3 2,-0.0 2,-0.4 -0.978 41.4-134.0 177.7 156.7 -19.7 18.9 38.1 45 47 A R E +A 50 0A 162 -2,-0.3 5,-0.2 5,-0.2 2,-0.1 -0.997 26.8 179.6-129.5 129.1 -20.1 16.2 35.6 46 48 A G - 0 0 39 3,-3.4 -2,-0.0 -2,-0.4 5,-0.0 -0.391 48.8 -84.1-109.6-169.2 -17.5 13.5 35.1 47 49 A K S S+ 0 0 166 1,-0.2 3,-0.1 -2,-0.1 -1,-0.0 0.826 126.8 25.3 -59.1 -33.8 -17.2 10.5 32.8 48 50 A Y S S+ 0 0 70 1,-0.1 21,-3.4 22,-0.1 2,-0.3 0.427 124.2 10.8-125.0 -6.8 -19.3 8.4 35.1 49 51 A S E - B 0 68A 8 19,-0.3 -3,-3.4 21,-0.1 2,-0.4 -0.983 56.4-120.6-162.3 172.3 -21.5 10.7 37.1 50 52 A E E -AB 45 67A 45 17,-1.6 17,-2.7 -2,-0.3 2,-0.4 -0.981 30.8-147.6-121.0 136.9 -23.0 14.0 37.8 51 53 A V E -AB 44 66A 32 -7,-3.3 -8,-3.6 -2,-0.4 -7,-1.5 -0.878 16.2-178.0-120.8 135.5 -22.4 15.7 41.2 52 54 A F E -AB 42 65A 26 13,-2.9 13,-2.4 -2,-0.4 2,-0.4 -0.959 29.8-126.6-131.8 145.1 -24.7 18.0 43.2 53 55 A E E +AB 41 64A 22 -12,-2.9 -13,-3.4 -2,-0.4 -12,-1.6 -0.752 45.9 169.7 -81.6 143.0 -24.7 19.9 46.3 54 56 A A E -AB 39 63A 1 9,-2.6 9,-2.7 -2,-0.4 2,-0.4 -0.880 31.2-125.5-148.4 169.3 -27.9 18.9 48.2 55 57 A I E -AB 38 62A 40 -17,-2.2 -17,-2.3 -2,-0.3 2,-0.8 -0.974 14.9-137.6-126.5 141.3 -29.5 19.2 51.5 56 58 A N E >>> -AB 37 61A 15 5,-2.7 3,-1.3 -2,-0.4 4,-1.0 -0.897 14.8-160.5-100.5 108.8 -30.7 16.3 53.7 57 59 A I T 345S+ 0 0 78 -21,-2.7 -1,-0.1 -2,-0.8 -20,-0.1 0.527 83.4 67.2 -78.5 -4.3 -34.1 17.5 55.0 58 60 A T T 345S+ 0 0 92 -22,-0.5 -1,-0.3 1,-0.1 -21,-0.1 0.705 126.3 9.3 -84.9 -19.0 -34.2 15.1 57.9 59 61 A N T <45S- 0 0 83 -3,-1.3 -2,-0.2 2,-0.2 -1,-0.1 0.239 95.8-125.1-131.3 10.1 -31.2 16.9 59.6 60 62 A N T <5 + 0 0 117 -4,-1.0 2,-0.3 1,-0.2 -3,-0.2 0.677 61.0 150.2 41.1 24.8 -31.0 20.0 57.4 61 63 A E E < -B 56 0A 117 -5,-0.8 -5,-2.7 1,-0.1 2,-0.2 -0.612 51.3-115.1 -82.4 142.6 -27.3 19.0 56.8 62 64 A K E +B 55 0A 110 -2,-0.3 51,-0.7 -7,-0.2 2,-0.3 -0.531 44.6 171.8 -68.4 137.2 -25.6 19.9 53.6 63 65 A V E -BC 54 112A 8 -9,-2.7 -9,-2.6 -2,-0.2 2,-0.5 -0.902 31.6-117.6-138.7 174.2 -24.5 16.8 51.6 64 66 A V E -BC 53 111A 24 47,-2.1 47,-3.1 -2,-0.3 2,-0.5 -0.963 22.3-160.4-120.2 134.2 -23.1 15.8 48.3 65 67 A V E -BC 52 110A 6 -13,-2.4 -13,-2.9 -2,-0.5 2,-0.6 -0.915 3.5-167.7-117.9 124.3 -25.1 13.7 45.9 66 68 A K E -BC 51 109A 11 43,-3.2 43,-3.2 -2,-0.5 2,-0.7 -0.945 6.0-161.7-112.7 110.5 -23.4 11.7 43.1 67 69 A I E -BC 50 108A 16 -17,-2.7 -17,-1.6 -2,-0.6 41,-0.2 -0.846 20.8-132.0 -99.6 113.4 -25.8 10.3 40.5 68 70 A L E -B 49 0A 10 39,-2.1 -19,-0.3 -2,-0.7 -20,-0.0 -0.202 13.5-119.9 -70.7 145.5 -24.1 7.6 38.5 69 71 A K - 0 0 68 -21,-3.4 2,-0.5 2,-0.1 -1,-0.1 -0.607 34.5-110.1 -78.4 149.7 -24.3 7.5 34.7 70 72 A P S S+ 0 0 97 0, 0.0 2,-0.3 0, 0.0 3,-0.2 0.169 83.0 108.0 -75.0 26.0 -26.0 4.2 33.6 71 73 A V + 0 0 70 -2,-0.5 -2,-0.1 1,-0.2 4,-0.0 -0.722 66.8 17.6-115.9 149.5 -22.7 2.8 32.2 72 74 A K > - 0 0 109 -2,-0.3 3,-0.6 2,-0.1 4,-0.5 0.995 68.4-161.6 52.4 78.8 -20.2 0.0 33.2 73 75 A K T >> S+ 0 0 179 1,-0.2 3,-1.4 -3,-0.2 4,-0.6 0.837 80.3 60.8 -62.5 -37.5 -22.6 -1.7 35.6 74 76 A K H 3> S+ 0 0 126 1,-0.3 4,-1.4 2,-0.2 3,-0.3 0.841 92.5 64.7 -59.1 -43.5 -20.0 -3.6 37.5 75 77 A K H <> S+ 0 0 40 -3,-0.6 4,-2.5 1,-0.2 -1,-0.3 0.745 93.6 68.7 -46.3 -27.8 -18.1 -0.4 38.6 76 78 A I H <> S+ 0 0 32 -3,-1.4 4,-1.9 -4,-0.5 -1,-0.2 0.951 103.9 33.1 -71.9 -53.6 -21.2 0.4 40.6 77 79 A K H X S+ 0 0 75 -4,-0.6 4,-2.6 -3,-0.3 5,-0.3 0.775 116.1 61.0 -70.5 -25.2 -21.3 -2.2 43.4 78 80 A R H X S+ 0 0 19 -4,-1.4 4,-2.4 2,-0.2 -2,-0.2 0.972 108.1 42.8 -61.3 -49.8 -17.5 -2.2 43.3 79 81 A E H X S+ 0 0 11 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.876 115.4 49.3 -63.5 -43.7 -17.5 1.5 44.3 80 82 A I H X S+ 0 0 1 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.949 112.5 46.5 -61.3 -47.9 -20.3 1.0 46.9 81 83 A K H X S+ 0 0 28 -4,-2.6 4,-2.9 2,-0.2 -2,-0.2 0.914 112.6 50.4 -64.5 -35.8 -18.6 -2.0 48.6 82 84 A I H X S+ 0 0 0 -4,-2.4 4,-2.2 -5,-0.3 -1,-0.2 0.949 111.4 48.4 -66.5 -47.6 -15.2 -0.1 48.7 83 85 A L H X S+ 0 0 0 -4,-2.4 4,-0.7 2,-0.2 12,-0.3 0.873 113.6 47.5 -60.6 -37.9 -16.9 3.0 50.3 84 86 A E H >< S+ 0 0 47 -4,-2.5 3,-0.5 1,-0.2 -2,-0.2 0.913 111.6 49.7 -70.7 -40.5 -18.6 0.8 52.9 85 87 A N H 3< S+ 0 0 22 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.852 118.0 39.9 -63.7 -35.3 -15.5 -1.1 53.7 86 88 A L H >< S+ 0 0 0 -4,-2.2 3,-1.9 -5,-0.2 -1,-0.2 0.448 82.8 128.4 -95.6 0.4 -13.5 2.1 54.1 87 89 A R T << S+ 0 0 101 -4,-0.7 7,-0.1 -3,-0.5 6,-0.1 -0.251 74.1 22.3 -60.5 137.0 -16.1 4.2 55.9 88 90 A G T 3 S+ 0 0 71 4,-0.3 -1,-0.3 1,-0.3 3,-0.1 0.303 93.1 133.4 89.8 -12.4 -14.8 5.8 59.2 89 91 A G S X S- 0 0 8 -3,-1.9 3,-1.7 1,-0.1 -1,-0.3 -0.348 71.5 -76.4 -73.4 156.0 -11.1 5.5 58.0 90 92 A P T 3 S- 0 0 59 0, 0.0 54,-0.2 0, 0.0 -1,-0.1 -0.331 110.8 -12.3 -56.4 121.3 -8.8 8.6 58.3 91 93 A N T 3 S+ 0 0 20 1,-0.2 80,-2.3 -3,-0.1 2,-0.5 0.628 96.8 139.1 61.4 21.9 -9.5 11.2 55.7 92 94 A I B < -e 171 0B 2 -3,-1.7 -4,-0.3 78,-0.2 -1,-0.2 -0.839 63.1-108.6 -95.3 127.3 -11.7 8.8 53.6 93 95 A I - 0 0 9 78,-1.7 2,-0.6 -2,-0.5 -4,-0.1 -0.308 37.6-123.5 -53.1 138.4 -14.9 10.5 52.2 94 96 A T - 0 0 47 -7,-0.1 18,-2.2 -6,-0.1 2,-0.7 -0.821 10.6-144.7 -96.1 112.5 -17.9 9.1 54.2 95 97 A L E +D 111 0A 1 -2,-0.6 16,-0.3 -12,-0.3 3,-0.1 -0.735 21.1 179.0 -70.8 112.8 -20.7 7.5 52.3 96 98 A A E - 0 0 57 14,-2.8 2,-0.3 -2,-0.7 15,-0.2 0.751 57.1 -14.7 -90.3 -31.9 -23.8 8.6 54.2 97 99 A D E -D 110 0A 32 13,-2.0 13,-2.9 -65,-0.1 2,-0.4 -0.985 47.8-140.3-164.8 166.2 -26.5 6.9 52.1 98 100 A I E +D 109 0A 4 -2,-0.3 -66,-3.0 -68,-0.3 2,-0.3 -0.983 27.5 171.7-136.3 131.5 -27.5 5.3 48.9 99 101 A V E -D 108 0A 7 9,-2.1 9,-2.5 -2,-0.4 2,-0.6 -0.915 36.3-108.6-136.8 160.7 -30.8 6.0 47.1 100 102 A K E -D 107 0A 122 -68,-0.4 -66,-0.1 -2,-0.3 -2,-0.0 -0.797 30.4-138.8 -90.6 120.2 -32.4 5.1 43.8 101 103 A D > - 0 0 23 5,-2.8 4,-1.8 -2,-0.6 5,-0.4 -0.649 7.1-153.4 -78.2 125.7 -32.7 8.2 41.6 102 104 A P T 4 S+ 0 0 86 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.731 89.6 45.4 -73.5 -17.0 -36.2 8.2 39.9 103 105 A V T 4 S+ 0 0 129 3,-0.1 -2,-0.0 1,-0.1 0, 0.0 0.913 123.0 32.4 -88.5 -46.7 -35.2 10.3 36.8 104 106 A S T 4 S- 0 0 42 2,-0.2 -1,-0.1 1,-0.0 -4,-0.0 0.806 93.2-140.7 -84.4 -24.8 -31.9 8.6 36.0 105 107 A R < + 0 0 218 -4,-1.8 -5,-0.0 1,-0.3 -1,-0.0 0.804 68.6 105.4 63.4 33.0 -33.0 5.1 37.2 106 108 A T S S- 0 0 14 -5,-0.4 -5,-2.8 -38,-0.0 -1,-0.3 -0.866 81.1 -81.1-129.4 167.7 -29.5 4.7 38.7 107 109 A P E - D 0 100A 24 0, 0.0 -39,-2.1 0, 0.0 2,-0.5 -0.450 34.4-153.6 -66.2 143.6 -28.0 4.8 42.2 108 110 A A E -CD 67 99A 1 -9,-2.5 -9,-2.1 -41,-0.2 2,-0.4 -0.995 10.9-144.3-119.1 121.6 -27.2 8.2 43.7 109 111 A L E -CD 66 98A 0 -43,-3.2 -43,-3.2 -2,-0.5 2,-0.5 -0.758 8.9-153.7 -91.3 132.3 -24.4 8.1 46.3 110 112 A V E +CD 65 97A 1 -13,-2.9 -14,-2.8 -2,-0.4 -13,-2.0 -0.935 18.9 179.4-112.4 121.9 -24.9 10.5 49.3 111 113 A F E -CD 64 95A 15 -47,-3.1 -47,-2.1 -2,-0.5 -16,-0.2 -0.766 35.7 -87.7-119.2 160.1 -21.7 11.7 51.0 112 114 A E E -C 63 0A 41 -18,-2.2 2,-0.3 -2,-0.3 -49,-0.2 -0.330 57.1 -98.9 -56.8 148.3 -20.7 14.0 53.9 113 115 A H - 0 0 44 -51,-0.7 2,-0.4 -50,-0.1 -1,-0.1 -0.601 37.5-171.2 -77.9 131.3 -20.3 17.6 52.8 114 116 A V - 0 0 18 -2,-0.3 2,-1.2 -3,-0.1 48,-0.1 -0.992 16.5-148.6-119.9 128.9 -16.8 18.9 52.1 115 117 A N - 0 0 92 -2,-0.4 49,-0.3 46,-0.1 2,-0.0 -0.532 30.4-175.8 -92.1 67.1 -16.2 22.7 51.5 116 118 A N - 0 0 43 -2,-1.2 2,-0.4 47,-0.2 47,-0.2 -0.276 22.7-143.2 -61.3 138.6 -13.2 22.5 49.1 117 119 A T - 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0 0 89 -5,-1.2 -1,-0.2 -6,-0.2 -2,-0.2 -0.948 54.0-131.4-139.0 114.3 4.6 23.4 37.7 228 230 A E S S+ 0 0 93 -2,-0.4 2,-0.1 1,-0.2 -9,-0.0 -0.944 90.9 10.0-117.1 120.3 1.2 22.0 36.9 229 231 A P S S- 0 0 12 0, 0.0 3,-0.2 0, 0.0 -1,-0.2 0.809 78.9-153.4 -76.4 165.5 1.2 19.2 35.8 230 232 A F S S+ 0 0 10 -12,-0.3 2,-0.8 1,-0.2 -2,-0.1 0.969 91.1 39.3 -70.9 -46.9 4.8 18.1 36.4 231 233 A F S S- 0 0 3 -37,-0.3 2,-0.8 -4,-0.1 -1,-0.2 -0.859 79.0-174.2-103.5 102.6 5.0 15.6 33.6 232 234 A H + 0 0 81 -2,-0.8 2,-0.1 -3,-0.2 7,-0.1 -0.530 9.6 170.8-108.0 67.2 3.0 17.2 30.8 233 235 A G - 0 0 1 -2,-0.8 6,-0.1 1,-0.1 -39,-0.1 -0.447 36.1-138.3 -76.8 150.4 2.7 14.7 27.9 234 236 A H S S- 0 0 140 -2,-0.1 2,-0.2 1,-0.1 -1,-0.1 0.667 85.8 -10.4 -73.8 -24.7 0.4 15.3 24.9 235 237 A D S > S- 0 0 72 -42,-0.1 4,-1.7 0, 0.0 5,-0.1 -0.876 92.6 -73.8-162.8-175.8 -0.8 11.7 24.9 236 238 A N H > S+ 0 0 71 -2,-0.2 4,-1.0 2,-0.2 -3,-0.0 0.778 128.4 47.9 -70.4 -21.5 0.1 8.4 26.7 237 239 A Y H > S+ 0 0 75 2,-0.2 4,-1.7 1,-0.2 3,-0.4 0.938 113.2 45.0 -81.2 -53.7 3.3 7.8 24.6 238 240 A D H > S+ 0 0 35 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.773 105.5 65.9 -59.1 -27.1 4.6 11.4 25.0 239 241 A Q H X S+ 0 0 0 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.945 103.5 43.8 -60.0 -49.3 3.8 11.0 28.7 240 242 A L H X S+ 0 0 0 -4,-1.0 4,-2.8 -3,-0.4 -2,-0.2 0.896 111.8 54.7 -64.3 -36.0 6.4 8.2 29.1 241 243 A V H X S+ 0 0 6 -4,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.890 106.7 50.6 -60.4 -41.3 8.9 10.4 27.0 242 244 A R H < S+ 0 0 79 -4,-2.3 4,-0.4 1,-0.2 -1,-0.2 0.873 111.9 47.8 -70.1 -36.7 8.4 13.3 29.4 243 245 A I H >X S+ 0 0 0 -4,-1.7 4,-3.3 -5,-0.2 3,-1.7 0.932 109.1 52.6 -65.1 -46.3 9.1 11.0 32.3 244 246 A A H 3X S+ 0 0 0 -4,-2.8 4,-1.8 1,-0.3 -2,-0.2 0.831 99.1 65.7 -63.8 -27.5 12.2 9.5 30.6 245 247 A K H 3< S+ 0 0 101 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.695 115.9 27.7 -63.5 -15.9 13.5 13.1 30.1 246 248 A V H <4 S+ 0 0 14 -3,-1.7 31,-3.0 -4,-0.4 -2,-0.2 0.791 130.0 37.1-111.5 -52.8 13.8 13.4 33.9 247 249 A L H < S- 0 0 1 -4,-3.3 4,-0.2 29,-0.2 -3,-0.2 0.816 109.3-122.5 -73.2 -31.6 14.4 9.8 35.1 248 250 A G X - 0 0 2 -4,-1.8 4,-1.0 -5,-0.4 27,-0.2 0.074 9.7-102.0 100.2 152.1 16.5 8.8 32.1 249 251 A T H > S+ 0 0 6 25,-2.2 4,-2.6 2,-0.2 5,-0.2 0.816 112.2 63.9 -77.5 -33.5 16.3 6.1 29.5 250 252 A E H > S+ 0 0 146 24,-0.7 4,-2.4 2,-0.2 -1,-0.2 0.955 106.5 44.6 -58.4 -45.1 18.9 3.7 31.0 251 253 A D H > S+ 0 0 58 -4,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.857 110.6 55.8 -71.4 -24.6 16.7 3.2 34.2 252 254 A L H X S+ 0 0 0 -4,-1.0 4,-2.7 2,-0.2 5,-0.3 0.958 109.6 45.4 -66.1 -48.5 13.6 2.8 31.9 253 255 A Y H X S+ 0 0 92 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.899 110.4 54.3 -58.9 -42.8 15.3 -0.0 30.1 254 256 A D H X S+ 0 0 97 -4,-2.4 4,-2.5 -5,-0.2 -2,-0.2 0.932 110.3 48.4 -60.2 -41.1 16.4 -1.5 33.4 255 257 A Y H X S+ 0 0 6 -4,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.952 113.9 41.9 -61.2 -57.5 12.8 -1.5 34.5 256 258 A I H X>S+ 0 0 5 -4,-2.7 5,-2.4 1,-0.2 4,-0.5 0.888 114.4 54.3 -60.2 -37.2 11.3 -3.1 31.4 257 259 A D H ><5S+ 0 0 96 -4,-2.9 3,-0.8 -5,-0.3 -2,-0.2 0.905 103.7 55.0 -63.8 -44.4 14.2 -5.6 31.3 258 260 A K H 3<5S+ 0 0 93 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.897 116.1 37.6 -52.2 -44.1 13.5 -6.7 35.0 259 261 A Y H 3<5S- 0 0 1 -4,-1.5 -256,-2.4 -5,-0.1 -1,-0.2 0.393 110.1-121.6 -93.1 6.0 9.9 -7.5 34.1 260 262 A N T <<5 + 0 0 108 -3,-0.8 2,-0.3 -4,-0.5 -3,-0.2 0.939 63.6 146.9 51.1 52.4 10.8 -8.9 30.6 261 263 A I < - 0 0 21 -5,-2.4 2,-0.4 -259,-0.1 -1,-0.2 -0.834 38.6-146.4-110.4 144.8 8.4 -6.2 29.0 262 264 A E - 0 0 180 -2,-0.3 2,-0.1 -60,-0.1 -5,-0.0 -0.937 18.1-120.9-114.6 147.1 9.0 -4.5 25.5 263 265 A L - 0 0 22 -2,-0.4 -61,-0.1 1,-0.1 5,-0.1 -0.472 43.0 -88.0 -75.9 155.0 8.0 -1.0 24.8 264 266 A D > - 0 0 57 1,-0.2 3,-2.6 -2,-0.1 4,-0.2 -0.471 38.3-123.7 -53.2 127.5 5.6 -0.4 21.9 265 267 A P G > S+ 0 0 90 0, 0.0 3,-1.8 0, 0.0 4,-0.3 0.644 106.1 81.7 -55.1 -12.6 7.9 -0.1 18.9 266 268 A R G > S+ 0 0 136 1,-0.3 3,-0.6 2,-0.1 4,-0.1 0.787 81.2 65.9 -68.3 -19.0 6.2 3.2 18.3 267 269 A F G X> S+ 0 0 6 -3,-2.6 4,-2.6 1,-0.2 3,-1.6 0.659 77.7 87.8 -66.5 -17.1 8.7 4.5 20.9 268 270 A N G <4 S+ 0 0 125 -3,-1.8 4,-0.3 1,-0.3 -1,-0.2 0.823 96.8 32.3 -57.8 -37.8 11.6 3.7 18.5 269 271 A D G <4 S+ 0 0 156 -3,-0.6 -1,-0.3 -4,-0.3 -2,-0.1 0.253 127.2 39.0-103.8 15.1 11.5 7.1 16.8 270 272 A I T <4 S+ 0 0 82 -3,-1.6 -2,-0.2 2,-0.1 -3,-0.1 0.602 97.4 68.9-130.6 -23.5 10.4 9.2 19.7 271 273 A L < + 0 0 5 -4,-2.6 -3,-0.1 1,-0.1 -2,-0.1 0.864 66.9 173.8 -75.3 -42.8 12.1 8.0 22.9 272 274 A G - 0 0 52 -5,-0.3 2,-0.4 -4,-0.3 -1,-0.1 -0.092 44.4 -63.2 64.9-164.0 15.8 9.1 22.3 273 275 A R + 0 0 235 -24,-0.0 2,-0.4 -25,-0.0 -1,-0.1 -0.994 56.9 176.4-121.2 126.3 18.6 8.7 24.9 274 276 A H - 0 0 45 -2,-0.4 -25,-2.2 -30,-0.1 -24,-0.7 -0.997 23.9-134.4-133.8 128.8 18.3 10.8 28.1 275 277 A S - 0 0 81 -2,-0.4 2,-0.2 -27,-0.2 -27,-0.2 -0.368 36.7-100.1 -63.6 153.4 20.5 11.0 31.2 276 278 A R - 0 0 77 -29,-0.1 2,-0.3 -28,-0.1 -29,-0.2 -0.643 44.2-136.6 -73.1 135.8 18.8 10.9 34.8 277 279 A K - 0 0 38 -31,-3.0 2,-0.3 -2,-0.2 -31,-0.0 -0.712 9.2-115.1 -98.8 155.1 18.6 14.5 36.0 278 280 A R > - 0 0 204 -2,-0.3 3,-1.8 1,-0.1 4,-0.2 -0.652 28.3-124.8 -80.5 144.9 19.3 15.8 39.6 279 281 A W G > S+ 0 0 18 -2,-0.3 3,-1.7 1,-0.3 4,-0.1 0.730 104.6 74.1 -68.8 -20.2 16.2 17.2 41.1 280 282 A E G > S+ 0 0 120 1,-0.3 3,-1.8 2,-0.2 -1,-0.3 0.728 77.0 79.3 -61.0 -23.7 17.9 20.6 41.8 281 283 A R G < S+ 0 0 169 -3,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.789 91.6 51.1 -53.2 -29.6 17.5 21.2 38.0 282 284 A F G < S+ 0 0 45 -3,-1.7 2,-0.3 -4,-0.2 -1,-0.3 0.445 88.1 103.2 -94.2 -3.5 13.8 22.1 38.6 283 285 A V < + 0 0 49 -3,-1.8 2,-0.3 -4,-0.1 -58,-0.1 -0.654 41.4 152.8 -81.8 135.5 14.5 24.7 41.4 284 286 A H >> - 0 0 83 -2,-0.3 3,-1.6 -59,-0.0 4,-1.6 -0.904 58.8 -79.2-150.4 176.6 14.4 28.4 40.7 285 287 A S T 34 S+ 0 0 85 1,-0.3 4,-0.3 -2,-0.3 -2,-0.0 0.755 123.9 53.9 -53.9 -31.4 13.6 31.8 42.5 286 288 A E T 34 S+ 0 0 137 1,-0.2 -1,-0.3 2,-0.1 -3,-0.0 0.640 120.3 26.6 -82.9 -16.6 9.9 31.3 42.4 287 289 A N T X4 S+ 0 0 0 -3,-1.6 3,-2.3 2,-0.1 4,-0.4 0.491 88.8 99.8-119.1 -1.4 9.8 27.8 44.0 288 290 A Q G >< S+ 0 0 120 -4,-1.6 3,-1.0 1,-0.3 -3,-0.1 0.749 76.1 62.2 -65.4 -26.8 12.9 27.7 46.2 289 291 A H G 3 S+ 0 0 103 -4,-0.3 -1,-0.3 1,-0.2 -161,-0.2 0.572 105.3 50.4 -70.4 -13.1 11.0 28.5 49.5 290 292 A L G < S+ 0 0 0 -3,-2.3 2,-0.3 -66,-0.3 -1,-0.2 0.469 101.0 78.9-100.9 -6.2 9.0 25.2 48.9 291 293 A V < + 0 0 27 -3,-1.0 3,-0.1 -4,-0.4 -163,-0.0 -0.800 47.9 157.5-113.7 144.1 12.1 23.0 48.3 292 294 A S > - 0 0 16 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.947 56.0 -99.6-152.0 162.7 14.5 21.5 50.8 293 295 A P H > S+ 0 0 106 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.869 125.1 52.1 -53.8 -39.3 16.9 18.6 50.8 294 296 A E H > S+ 0 0 81 1,-0.2 4,-2.6 2,-0.2 27,-0.3 0.901 108.7 49.9 -64.0 -44.5 14.2 16.5 52.7 295 297 A A H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.898 112.6 47.1 -56.4 -43.3 11.6 17.4 50.1 296 298 A L H X S+ 0 0 14 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.832 112.6 48.8 -72.0 -34.5 13.9 16.3 47.2 297 299 A D H X S+ 0 0 59 -4,-1.9 4,-1.2 -5,-0.2 -2,-0.2 0.925 111.9 48.7 -71.6 -41.0 14.9 13.1 48.9 298 300 A F H >X S+ 0 0 0 -4,-2.6 4,-1.0 1,-0.2 3,-0.6 0.947 113.7 47.0 -62.0 -50.0 11.2 12.2 49.6 299 301 A L H >X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 3,-1.2 0.925 107.7 55.4 -54.4 -49.9 10.3 12.9 46.0 300 302 A D H 3< S+ 0 0 43 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.808 108.4 50.7 -51.2 -32.4 13.2 11.0 44.6 301 303 A K H << S+ 0 0 78 -4,-1.2 10,-1.7 -3,-0.6 -1,-0.2 0.592 112.0 45.4 -87.0 -14.3 12.0 8.0 46.6 302 304 A L H << S+ 0 0 0 -3,-1.2 2,-1.6 -4,-1.0 -2,-0.2 0.822 102.6 64.6 -90.3 -42.5 8.4 8.2 45.3 303 305 A L < + 0 0 0 -4,-2.5 2,-0.4 -5,-0.2 -1,-0.2 -0.602 68.5 138.9 -92.2 77.6 9.1 8.6 41.6 304 306 A R - 0 0 64 -2,-1.6 6,-0.1 -3,-0.2 -3,-0.0 -0.947 53.5-139.5-111.0 138.2 10.8 5.4 40.8 305 307 A Y S S+ 0 0 5 -2,-0.4 2,-0.7 1,-0.1 -106,-0.3 0.960 92.6 75.7 -55.3 -53.5 10.1 3.5 37.5 306 308 A D S >> S- 0 0 22 1,-0.2 3,-2.0 -3,-0.1 4,-0.7 -0.513 72.4-157.5 -64.8 104.2 10.2 0.2 39.5 307 309 A H G >4 S+ 0 0 2 -2,-0.7 3,-0.9 1,-0.3 -1,-0.2 0.873 94.0 59.8 -49.8 -34.2 6.8 0.1 41.3 308 310 A Q G 34 S+ 0 0 46 1,-0.2 -1,-0.3 -301,-0.1 -2,-0.1 0.681 101.2 53.0 -70.0 -18.7 8.6 -2.3 43.8 309 311 A S G <4 S+ 0 0 71 -3,-2.0 -1,-0.2 2,-0.1 -2,-0.2 0.561 85.4 104.9 -91.8 -14.5 11.2 0.3 44.7 310 312 A R S << S- 0 0 8 -3,-0.9 -8,-0.2 -4,-0.7 -9,-0.1 -0.323 82.3 -95.9 -67.6 147.7 8.8 3.1 45.7 311 313 A L - 0 0 23 -10,-1.7 -1,-0.1 -13,-0.2 2,-0.1 -0.406 38.3-125.7 -52.5 136.1 8.2 4.1 49.3 312 314 A T > - 0 0 26 1,-0.1 4,-2.7 -3,-0.1 5,-0.2 -0.352 29.2-104.2 -72.9 165.5 5.1 2.4 50.7 313 315 A A H > S+ 0 0 1 2,-0.2 4,-1.6 1,-0.2 -170,-0.1 0.919 124.8 50.6 -58.8 -42.7 2.5 4.9 52.3 314 316 A R H >> S+ 0 0 136 1,-0.2 4,-0.8 2,-0.2 3,-0.7 0.970 111.4 45.8 -59.0 -56.3 3.7 3.7 55.7 315 317 A E H >4 S+ 0 0 95 1,-0.2 3,-0.8 2,-0.2 4,-0.4 0.851 108.2 57.5 -55.4 -41.6 7.4 4.3 54.9 316 318 A A H >< S+ 0 0 0 -4,-2.7 3,-1.3 1,-0.2 -1,-0.2 0.861 102.9 54.6 -57.2 -35.4 6.6 7.7 53.4 317 319 A M H << S+ 0 0 30 -4,-1.6 -1,-0.2 -3,-0.7 -2,-0.2 0.674 104.0 56.2 -74.1 -19.6 5.0 8.8 56.8 318 320 A E T << S+ 0 0 131 -3,-0.8 -1,-0.3 -4,-0.8 -2,-0.2 0.550 85.3 118.1 -78.6 -15.8 8.3 7.9 58.4 319 321 A H S X S- 0 0 14 -3,-1.3 3,-2.3 -4,-0.4 4,-0.3 -0.291 75.8-120.5 -66.7 143.2 10.3 10.2 56.1 320 322 A P G > S+ 0 0 52 0, 0.0 3,-2.0 0, 0.0 4,-0.5 0.737 105.7 78.5 -48.2 -30.5 12.3 13.2 57.5 321 323 A Y G 3 S+ 0 0 0 -27,-0.3 3,-0.5 1,-0.3 4,-0.2 0.816 95.1 46.7 -41.0 -39.7 10.2 15.5 55.4 322 324 A F G X S+ 0 0 2 -3,-2.3 3,-1.0 -6,-0.2 -1,-0.3 0.480 82.6 95.3 -92.0 -2.2 7.4 15.2 58.0 323 325 A Y T < S+ 0 0 171 -3,-2.0 -1,-0.2 -4,-0.3 -2,-0.1 0.827 85.9 51.8 -58.8 -33.7 9.6 15.8 61.1 324 326 A T T 3 S+ 0 0 76 -3,-0.5 2,-0.3 -4,-0.5 -1,-0.3 0.762 89.0 97.5 -76.1 -19.2 8.6 19.5 61.0 325 327 A V S < S- 0 0 7 -3,-1.0 2,-0.1 -4,-0.2 -3,-0.0 -0.509 82.7-114.5 -75.2 123.0 4.8 18.7 60.9 326 328 A V 0 0 116 -2,-0.3 -1,-0.1 1,-0.1 -2,-0.1 -0.354 360.0 360.0 -59.3 124.2 3.0 18.9 64.3 327 329 A K 0 0 158 -2,-0.1 -1,-0.1 0, 0.0 -2,-0.0 0.937 360.0 360.0 -89.2 360.0 1.7 15.5 65.5