==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 12-NOV-11 4A7C . COMPND 2 MOLECULE: PROTO-ONCOGENE SERINE/THREONINE-PROTEIN KINASE PI . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.MAZZORANA,G.MONTOYA . 274 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13465.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 172 62.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 50 18.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 16 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 78 28.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 0 2 2 0 2 1 1 0 0 0 0 0 0 0 1 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 . 1 1 2 1 1 1 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 . 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 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 32 A E > 0 0 87 0, 0.0 4,-1.5 0, 0.0 5,-0.3 0.000 360.0 360.0 360.0 139.6 -38.1 16.7 -13.0 2 33 A P H > + 0 0 83 0, 0.0 4,-0.7 0, 0.0 5,-0.0 0.652 360.0 50.8 -57.5 -20.9 -40.0 13.6 -14.4 3 34 A L H > S+ 0 0 16 2,-0.2 4,-1.5 3,-0.1 3,-0.1 0.942 110.5 43.5 -79.5 -54.5 -39.9 12.0 -10.9 4 35 A E H 4 S+ 0 0 117 1,-0.2 5,-0.1 2,-0.2 -1,-0.1 0.669 119.2 44.5 -69.5 -18.0 -41.2 14.9 -8.8 5 36 A S H < S+ 0 0 77 -4,-1.5 -1,-0.2 1,-0.1 -2,-0.2 0.748 112.9 48.0 -96.9 -30.5 -44.0 15.8 -11.3 6 37 A Q H < S+ 0 0 76 -4,-0.7 21,-2.2 -5,-0.3 22,-0.4 0.711 115.6 43.5 -81.8 -21.0 -45.2 12.3 -12.1 7 38 A Y E < -A 26 0A 8 -4,-1.5 2,-0.6 19,-0.2 19,-0.2 -0.965 65.5-145.2-134.6 144.1 -45.5 11.2 -8.4 8 39 A Q E -A 25 0A 126 17,-2.6 17,-1.3 -2,-0.4 2,-0.1 -0.917 27.2-134.7-110.7 113.1 -46.7 12.6 -5.2 9 40 A V E +A 24 0A 89 -2,-0.6 15,-0.2 15,-0.2 3,-0.1 -0.395 26.9 175.5 -74.3 138.1 -44.7 11.5 -2.2 10 41 A G E - 0 0 29 13,-3.0 3,-0.1 1,-0.3 -1,-0.1 -0.301 43.7 -28.0-116.0-156.4 -46.3 10.4 1.1 11 42 A P E - 0 0 95 0, 0.0 12,-2.9 0, 0.0 2,-0.3 -0.164 66.6-102.4 -58.1 147.2 -45.1 9.0 4.4 12 43 A L E -A 22 0A 90 10,-0.2 10,-0.3 1,-0.2 3,-0.1 -0.582 32.0-167.3 -66.8 128.4 -41.8 7.0 4.7 13 44 A L E - 0 0 104 8,-3.6 2,-0.3 1,-0.4 9,-0.2 0.808 59.8 -34.2 -90.6 -31.9 -42.9 3.4 5.0 14 45 A G E -A 21 0A 24 7,-1.5 7,-3.0 2,-0.0 -1,-0.4 -0.961 48.8-149.1-177.2 166.8 -39.5 2.0 6.1 15 46 A S E +A 20 0A 64 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.989 38.4 97.9-148.2 147.5 -35.7 2.3 5.8 16 47 A G E > S-A 19 0A 45 3,-2.5 3,-2.8 -2,-0.3 -2,-0.0 -0.964 83.3 -18.2 170.4-150.4 -32.8 -0.2 5.9 17 48 A G T 3 S+ 0 0 94 1,-0.3 3,-0.1 -2,-0.3 -1,-0.0 0.715 131.3 56.1 -55.1 -21.2 -30.4 -2.3 3.9 18 49 A F T 3 S- 0 0 65 1,-0.3 2,-0.3 20,-0.0 -1,-0.3 0.467 114.7-116.7 -90.1 -4.5 -32.8 -1.8 1.0 19 50 A G E < -A 16 0A 17 -3,-2.8 -3,-2.5 19,-0.1 2,-0.4 -0.826 54.8 -34.0 104.0-145.9 -32.7 2.0 1.2 20 51 A S E -AB 15 37A 41 17,-2.1 17,-2.9 -2,-0.3 2,-0.5 -0.979 52.9-160.3-122.2 127.8 -35.7 4.2 1.9 21 52 A V E -AB 14 36A 29 -7,-3.0 -8,-3.6 -2,-0.4 -7,-1.5 -0.921 9.0-171.0-113.6 125.7 -39.3 3.3 0.9 22 53 A Y E -AB 12 35A 71 13,-2.9 13,-3.2 -2,-0.5 -10,-0.2 -0.862 24.0-123.3-114.0 146.2 -42.1 5.9 0.6 23 54 A S E + B 0 34A 18 -12,-2.9 -13,-3.0 -2,-0.3 2,-0.3 -0.535 48.2 154.6 -72.6 153.5 -45.8 5.6 0.1 24 55 A G E -AB 9 33A 3 9,-1.7 9,-2.4 -15,-0.2 2,-0.3 -0.973 35.5-124.9-168.1 175.3 -46.9 7.6 -3.0 25 56 A I E -AB 8 32A 46 -17,-1.3 -17,-2.6 -2,-0.3 2,-0.5 -0.999 23.3-122.3-136.0 141.1 -49.4 8.2 -5.8 26 57 A R E > -A 7 0A 58 5,-2.9 4,-1.4 -2,-0.3 5,-0.3 -0.735 27.9-144.3 -76.2 126.1 -49.1 8.5 -9.5 27 58 A V T 4 S+ 0 0 67 -21,-2.2 -1,-0.2 -2,-0.5 -20,-0.1 0.879 89.2 58.4 -67.0 -38.6 -50.6 11.9 -10.2 28 59 A S T 4 S+ 0 0 90 -22,-0.4 -1,-0.2 1,-0.2 -21,-0.0 0.975 128.2 6.9 -52.0 -71.0 -52.2 11.1 -13.5 29 60 A D T 4 S- 0 0 83 2,-0.1 -1,-0.2 3,-0.0 -2,-0.2 0.178 95.0-118.7-105.5 15.6 -54.5 8.2 -12.4 30 61 A N < + 0 0 112 -4,-1.4 -3,-0.1 1,-0.2 -2,-0.1 0.694 51.9 167.3 52.8 21.1 -54.0 8.3 -8.6 31 62 A L - 0 0 62 -5,-0.3 -5,-2.9 1,-0.1 -1,-0.2 -0.482 39.2-117.7 -59.3 128.3 -52.6 4.7 -8.7 32 63 A P E +B 25 0A 41 0, 0.0 59,-1.0 0, 0.0 2,-0.3 -0.506 44.0 171.5 -65.5 138.6 -51.0 4.0 -5.3 33 64 A V E -BC 24 90A 0 -9,-2.4 -9,-1.7 57,-0.2 2,-0.4 -0.908 32.2-125.8-142.6 167.4 -47.3 3.3 -5.6 34 65 A A E -BC 23 89A 12 55,-2.4 55,-2.7 -2,-0.3 2,-0.6 -0.959 19.6-151.0-116.4 139.9 -44.2 2.7 -3.4 35 66 A I E -BC 22 88A 2 -13,-3.2 -13,-2.9 -2,-0.4 2,-0.6 -0.942 13.2-167.7-118.3 111.7 -41.1 4.9 -4.1 36 67 A K E -BC 21 87A 9 51,-2.7 51,-3.0 -2,-0.6 2,-0.4 -0.881 2.7-164.0-112.0 120.0 -37.8 3.3 -3.2 37 68 A H E -BC 20 86A 39 -17,-2.9 -17,-2.1 -2,-0.6 2,-0.4 -0.858 7.0-178.6-102.2 132.1 -34.6 5.2 -3.0 38 69 A V E - C 0 85A 18 47,-2.5 47,-2.2 -2,-0.4 2,-0.2 -0.988 24.4-131.0-127.8 125.4 -31.1 3.5 -3.0 39 70 A E E > - C 0 84A 85 -2,-0.4 3,-0.6 45,-0.2 45,-0.3 -0.486 15.1-134.5 -69.9 138.6 -27.9 5.5 -2.7 40 71 A K G > S+ 0 0 44 43,-3.1 3,-1.6 1,-0.2 44,-0.1 0.886 105.1 56.3 -61.8 -40.0 -25.3 4.5 -5.4 41 72 A D G 3 S+ 0 0 151 42,-0.5 -1,-0.2 1,-0.3 43,-0.1 0.792 105.5 53.3 -62.0 -27.0 -22.5 4.2 -2.9 42 73 A R G < S+ 0 0 182 -3,-0.6 2,-0.4 2,-0.0 -1,-0.3 0.424 87.2 103.7 -90.0 1.2 -24.5 1.7 -0.9 43 74 A I < + 0 0 25 -3,-1.6 3,-0.1 -4,-0.2 -3,-0.0 -0.728 38.9 172.2 -91.6 131.3 -25.1 -0.5 -4.0 44 75 A S + 0 0 103 -2,-0.4 2,-0.6 1,-0.2 -1,-0.1 0.800 63.4 53.4-106.0 -39.9 -23.0 -3.7 -4.1 45 76 A D - 0 0 73 112,-0.2 12,-2.1 115,-0.0 13,-0.3 -0.888 65.7-172.0-107.6 115.6 -24.4 -5.6 -7.1 46 77 A W E +E 56 0B 67 -2,-0.6 2,-0.2 10,-0.2 8,-0.0 -0.761 4.2 179.7-104.5 153.6 -24.6 -3.9 -10.5 47 78 A G E -E 55 0B 13 8,-3.5 8,-2.1 -2,-0.3 2,-0.4 -0.777 19.5-125.0-135.2-177.4 -26.3 -5.2 -13.6 48 79 A E E -E 54 0B 120 -2,-0.2 6,-0.2 6,-0.2 5,-0.1 -0.999 13.1-133.9-138.6 137.6 -26.9 -4.0 -17.2 49 80 A L - 0 0 14 4,-2.2 11,-0.0 -2,-0.4 6,-0.0 -0.285 46.7 -88.8 -76.1 170.5 -30.0 -3.6 -19.3 50 81 A P S S+ 0 0 130 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.890 117.9 51.8 -48.9 -44.0 -30.1 -4.9 -22.9 51 82 A N S S- 0 0 93 2,-0.0 -2,-0.0 1,-0.0 0, 0.0 -0.036 117.0 -77.6 -77.9-168.6 -28.8 -1.5 -24.0 52 83 A G S S+ 0 0 63 -4,-0.1 -1,-0.0 2,-0.1 0, 0.0 0.776 87.1 118.1 -64.7 -29.8 -25.7 0.1 -22.5 53 84 A T - 0 0 54 -5,-0.1 -4,-2.2 1,-0.1 2,-0.5 -0.097 54.6-144.2 -58.0 128.0 -27.1 1.4 -19.2 54 85 A R E +E 48 0B 145 -6,-0.2 -6,-0.2 -8,-0.0 -1,-0.1 -0.779 31.3 164.8 -89.8 124.7 -25.7 0.1 -16.0 55 86 A V E -E 47 0B 0 -8,-2.1 -8,-3.5 -2,-0.5 2,-0.1 -0.834 45.5 -72.6-133.1 167.1 -28.3 -0.2 -13.2 56 87 A P E >> -E 46 0B 5 0, 0.0 3,-1.5 0, 0.0 4,-1.4 -0.409 45.2-120.2 -56.8 140.0 -28.8 -1.9 -9.9 57 88 A M H 3> S+ 0 0 27 -12,-2.1 4,-2.9 1,-0.3 5,-0.3 0.880 113.4 66.8 -47.4 -40.9 -29.1 -5.7 -10.3 58 89 A E H 3> S+ 0 0 18 -13,-0.3 4,-2.4 1,-0.2 -1,-0.3 0.840 98.2 50.3 -51.3 -39.9 -32.5 -5.3 -8.7 59 90 A V H <> S+ 0 0 0 -3,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.938 110.4 49.7 -67.7 -46.2 -33.8 -3.3 -11.7 60 91 A V H X S+ 0 0 17 -4,-1.4 4,-1.7 1,-0.2 3,-0.2 0.969 114.6 44.3 -50.2 -58.2 -32.6 -6.0 -14.1 61 92 A L H X S+ 0 0 0 -4,-2.9 4,-1.6 1,-0.2 5,-0.2 0.880 111.6 52.9 -59.3 -41.1 -34.2 -8.7 -12.0 62 93 A L H X S+ 0 0 2 -4,-2.4 4,-2.2 -5,-0.3 13,-0.4 0.877 108.1 50.5 -66.5 -36.3 -37.4 -6.8 -11.6 63 94 A K H < S+ 0 0 96 -4,-2.2 -1,-0.2 -3,-0.2 -2,-0.2 0.836 107.9 53.9 -69.1 -32.1 -37.8 -6.2 -15.3 64 95 A K H < S+ 0 0 87 -4,-1.7 3,-0.3 -5,-0.2 -1,-0.2 0.846 121.5 29.4 -69.5 -32.8 -37.3 -9.9 -16.0 65 96 A V H < S+ 0 0 0 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.646 100.8 81.5-100.3 -17.2 -40.1 -10.9 -13.6 66 97 A S < + 0 0 17 -4,-2.2 2,-0.4 -5,-0.2 -1,-0.2 0.258 65.2 111.9 -79.8 14.7 -42.4 -7.8 -13.9 67 98 A S S S- 0 0 83 -3,-0.3 -3,-0.0 -4,-0.1 -4,-0.0 -0.755 80.1 -18.0 -89.2 131.8 -44.0 -9.0 -17.1 68 99 A G S S- 0 0 50 -2,-0.4 2,-0.2 2,-0.0 -3,-0.0 -0.168 103.7 -36.8 73.9-169.2 -47.6 -9.9 -16.9 69 100 A F S S+ 0 0 194 2,-0.0 2,-0.3 5,-0.0 -2,-0.1 -0.609 73.1 128.7 -85.9 148.5 -49.6 -10.7 -13.8 70 101 A S - 0 0 35 -2,-0.2 4,-0.1 2,-0.2 53,-0.1 -0.992 69.7 -81.6-174.0-173.6 -48.1 -12.6 -10.8 71 102 A G S S+ 0 0 19 -2,-0.3 82,-3.0 48,-0.1 2,-0.4 -0.037 97.2 99.7 -91.3 29.4 -47.4 -12.9 -7.1 72 103 A V B S-f 153 0C 6 80,-0.3 -2,-0.2 -7,-0.1 82,-0.1 -0.970 84.8-109.6-116.9 133.1 -44.5 -10.6 -7.7 73 104 A I - 0 0 7 80,-2.4 2,-0.3 -2,-0.4 -8,-0.1 -0.378 40.5-123.7 -54.3 127.3 -44.5 -6.9 -7.0 74 105 A R - 0 0 76 -2,-0.1 16,-2.1 -4,-0.1 2,-0.7 -0.607 7.5-136.8 -84.3 131.2 -44.5 -5.0 -10.3 75 106 A L E +D 89 0A 21 -13,-0.4 14,-0.2 -2,-0.3 3,-0.1 -0.791 23.5 178.8 -79.4 114.3 -41.8 -2.5 -11.2 76 107 A L E - 0 0 50 12,-2.5 2,-0.3 -2,-0.7 13,-0.2 0.817 59.4 -28.6 -87.2 -34.0 -43.7 0.5 -12.8 77 108 A D E -D 88 0A 53 11,-1.5 11,-3.4 2,-0.0 -1,-0.3 -0.979 51.5-148.3-170.4 165.2 -40.7 2.8 -13.5 78 109 A W E -D 87 0A 56 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.988 6.6-162.7-146.4 157.1 -37.2 3.8 -12.4 79 110 A F E -D 86 0A 31 7,-2.3 7,-2.7 -2,-0.3 2,-0.4 -0.984 13.5-137.3-138.1 145.1 -35.1 7.0 -12.4 80 111 A E E -D 85 0A 102 -2,-0.3 5,-0.2 5,-0.2 3,-0.0 -0.896 20.5-176.5-102.6 135.6 -31.5 7.7 -12.0 81 112 A R - 0 0 81 3,-3.4 3,-0.2 -2,-0.4 -2,-0.0 -0.762 44.2 -95.6-116.9 169.8 -30.2 10.6 -9.9 82 113 A P S S+ 0 0 110 0, 0.0 -1,-0.1 0, 0.0 3,-0.0 0.911 121.7 15.2 -51.5 -45.1 -26.7 11.8 -9.4 83 114 A D S S+ 0 0 115 -43,-0.1 -43,-3.1 -44,-0.0 -42,-0.5 0.345 129.1 25.3-115.0 4.7 -26.2 9.8 -6.2 84 115 A S E -C 39 0A 18 -45,-0.3 -3,-3.4 -3,-0.2 2,-0.4 -0.964 61.6-122.3-157.0 170.0 -29.1 7.4 -6.2 85 116 A F E -CD 38 80A 0 -47,-2.2 -47,-2.5 -2,-0.3 2,-0.5 -0.941 21.8-153.2-117.8 147.1 -31.7 5.4 -8.1 86 117 A V E -CD 37 79A 0 -7,-2.7 -7,-2.3 -2,-0.4 2,-0.4 -0.983 7.7-160.6-124.7 123.6 -35.4 5.7 -7.5 87 118 A L E -CD 36 78A 1 -51,-3.0 -51,-2.7 -2,-0.5 2,-0.5 -0.847 7.6-150.3-106.2 140.0 -37.7 2.8 -8.2 88 119 A I E +CD 35 77A 0 -11,-3.4 -12,-2.5 -2,-0.4 -11,-1.5 -0.944 26.7 179.0-108.7 122.7 -41.5 3.1 -8.6 89 120 A L E -CD 34 75A 17 -55,-2.7 -55,-2.4 -2,-0.5 -14,-0.2 -0.837 33.7 -92.0-126.7 157.0 -43.3 -0.1 -7.5 90 121 A E E -C 33 0A 51 -16,-2.1 -57,-0.2 -2,-0.3 -1,-0.1 -0.341 36.3-160.1 -61.5 142.5 -46.8 -1.4 -7.2 91 122 A R - 0 0 36 -59,-1.0 -1,-0.0 -58,-0.1 -67,-0.0 -0.854 3.5-153.5-132.1 103.7 -48.5 -0.7 -3.9 92 123 A P - 0 0 10 0, 0.0 3,-0.2 0, 0.0 52,-0.1 -0.316 24.4-123.1 -64.2 157.4 -51.6 -2.8 -2.8 93 124 A E S S+ 0 0 122 1,-0.4 2,-0.1 -61,-0.0 52,-0.1 -0.898 91.9 25.8-158.1 121.3 -53.9 -1.1 -0.4 94 125 A P S S+ 0 0 45 0, 0.0 52,-1.2 0, 0.0 53,-0.6 0.572 92.6 162.3 -79.5 157.2 -54.7 -2.1 2.2 95 126 A V E -G 145 0C 51 -3,-0.2 2,-0.3 50,-0.2 50,-0.2 -0.938 21.5-178.7-140.2 153.1 -51.5 -4.2 2.7 96 127 A Q E -G 144 0C 35 48,-1.3 48,-2.0 -2,-0.3 -3,-0.0 -0.934 28.9-121.3-152.8 132.4 -49.6 -5.9 5.5 97 128 A D E > -G 143 0C 36 -2,-0.3 4,-1.9 46,-0.2 46,-0.2 -0.324 28.1-116.1 -69.8 160.0 -46.3 -7.9 5.3 98 129 A L H > S+ 0 0 0 44,-2.1 4,-2.2 41,-1.2 42,-0.2 0.805 112.7 60.1 -71.4 -28.2 -46.4 -11.5 6.5 99 130 A F H > S+ 0 0 86 40,-0.9 4,-2.4 43,-0.3 3,-0.3 0.984 109.4 41.0 -60.4 -56.2 -44.0 -10.7 9.4 100 131 A D H > S+ 0 0 74 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.873 112.9 57.4 -57.1 -37.9 -46.4 -8.2 10.9 101 132 A F H X S+ 0 0 2 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.885 109.1 43.3 -62.6 -40.6 -49.3 -10.5 10.2 102 133 A I H X S+ 0 0 7 -4,-2.2 4,-3.0 -3,-0.3 -1,-0.2 0.862 109.3 58.3 -75.2 -35.9 -47.7 -13.4 12.1 103 134 A T H < S+ 0 0 98 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.940 114.4 37.8 -54.9 -48.1 -46.8 -11.0 14.9 104 135 A E H < S+ 0 0 145 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.879 128.5 32.1 -71.7 -39.3 -50.4 -10.0 15.3 105 136 A R H < S- 0 0 119 -4,-2.3 -2,-0.2 1,-0.2 -3,-0.2 0.659 90.2-150.7 -92.8 -20.9 -51.9 -13.5 14.7 106 137 A G < + 0 0 30 -4,-3.0 101,-0.2 -5,-0.2 -1,-0.2 -0.374 65.1 7.0 70.3-161.5 -49.3 -15.8 16.1 107 138 A A S S- 0 0 33 99,-0.3 2,-0.2 1,-0.1 98,-0.2 -0.228 86.5-121.1 -50.2 134.0 -49.1 -19.3 14.5 108 139 A L - 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0 0 30 -38,-0.3 3,-1.5 1,-0.1 4,-0.3 -0.739 45.3-149.3 -91.9 121.2 -30.9 -13.4 5.5 174 205 A R G > S+ 0 0 105 -2,-0.6 3,-1.9 1,-0.3 -1,-0.1 0.859 93.3 56.1 -58.1 -44.2 -28.6 -15.7 7.4 175 206 A V G 3 S+ 0 0 31 1,-0.3 -1,-0.3 37,-0.0 36,-0.3 0.621 111.4 47.1 -69.2 -9.0 -31.3 -17.5 9.5 176 207 A Y G < S+ 0 0 14 -3,-1.5 -1,-0.3 2,-0.1 -2,-0.2 0.366 93.1 103.6-104.9 -0.0 -33.0 -18.5 6.2 177 208 A S S < S- 0 0 2 -3,-1.9 16,-0.0 -4,-0.3 5,-0.0 -0.583 74.9-107.5 -90.0 148.2 -29.7 -19.6 4.5 178 209 A P >> - 0 0 4 0, 0.0 4,-1.8 0, 0.0 3,-0.7 -0.181 22.9-111.6 -77.7 165.1 -28.9 -23.3 4.1 179 210 A P H 3> S+ 0 0 5 0, 0.0 4,-3.1 0, 0.0 5,-0.3 0.834 115.5 61.5 -63.5 -32.8 -26.3 -25.4 6.0 180 211 A E H 3> S+ 0 0 17 2,-0.2 4,-1.9 1,-0.2 6,-1.4 0.818 105.7 48.1 -65.8 -29.5 -24.1 -25.7 2.9 181 212 A W H <> S+ 0 0 19 -3,-0.7 4,-1.8 4,-0.2 -1,-0.2 0.949 113.0 47.3 -68.8 -49.1 -23.7 -21.9 2.8 182 213 A I H < S+ 0 0 17 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.1 0.926 123.6 32.9 -57.2 -47.6 -22.9 -21.8 6.5 183 214 A R H < S+ 0 0 147 -4,-3.1 -1,-0.2 -5,-0.1 -3,-0.2 0.851 138.8 10.8 -78.5 -40.1 -20.3 -24.6 6.3 184 215 A Y H < S- 0 0 141 -4,-1.9 -3,-0.2 -5,-0.3 -2,-0.2 0.441 84.9-123.8-124.0 -4.4 -18.8 -24.2 2.8 185 216 A H S < S+ 0 0 95 -4,-1.8 2,-0.3 -5,-0.4 -4,-0.2 0.886 78.9 111.3 53.8 39.1 -20.0 -20.9 1.4 186 217 A R + 0 0 133 -6,-1.4 2,-0.3 -18,-0.0 -2,-0.2 -0.998 34.4 149.6-141.2 137.0 -21.4 -22.9 -1.6 187 218 A Y B -J 167 0E 7 -20,-1.5 -20,-2.9 -2,-0.3 2,-0.3 -0.985 36.4-123.5-156.2 162.1 -24.9 -23.5 -2.7 188 219 A H > - 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0 0 22 -2,-0.3 -9,-0.1 1,-0.1 -10,-0.1 -0.399 32.8-130.7 -72.9 153.0 -38.4 -19.6 12.6 210 241 A P S S+ 0 0 13 0, 0.0 2,-0.4 0, 0.0 13,-0.2 0.761 83.1 48.3 -78.9 -27.1 -36.8 -22.9 13.8 211 242 A F + 0 0 3 -36,-0.3 -2,-0.1 1,-0.1 3,-0.1 -0.941 41.7 163.4-123.4 138.7 -33.1 -21.9 13.9 212 243 A E + 0 0 114 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.721 65.7 53.9-110.6 -43.2 -31.2 -19.0 15.4 213 244 A H S >> S- 0 0 111 1,-0.1 4,-1.9 -38,-0.0 3,-1.0 -0.676 80.0-118.6-104.7 150.3 -27.6 -20.0 15.5 214 245 A D H 3> S+ 0 0 55 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.874 114.8 56.2 -44.6 -45.9 -25.2 -21.4 12.9 215 246 A E H 3> S+ 0 0 125 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.814 106.2 49.2 -63.4 -34.2 -24.8 -24.6 14.9 216 247 A E H <> S+ 0 0 74 -3,-1.0 4,-2.3 2,-0.2 5,-0.5 0.893 110.3 50.4 -69.0 -44.2 -28.6 -25.3 14.8 217 248 A I H < S+ 0 0 0 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.946 112.5 48.0 -55.9 -49.0 -28.8 -24.7 11.1 218 249 A I H < S+ 0 0 54 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.840 111.8 48.3 -63.8 -37.5 -25.9 -27.1 10.6 219 250 A R H < S- 0 0 179 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.844 88.4-161.1 -73.3 -33.6 -27.5 -29.8 12.8 220 251 A G < + 0 0 16 -4,-2.3 2,-0.6 1,-0.2 -3,-0.1 0.685 29.8 154.0 62.6 21.1 -30.8 -29.4 11.0 221 252 A Q - 0 0 112 -5,-0.5 2,-0.6 1,-0.0 -1,-0.2 -0.725 33.3-148.0 -83.2 119.0 -32.8 -31.0 13.8 222 253 A V - 0 0 5 -2,-0.6 2,-0.5 -3,-0.1 -11,-0.1 -0.789 14.4-173.4 -96.7 117.3 -36.4 -29.6 13.7 223 254 A F - 0 0 155 -2,-0.6 2,-0.6 -13,-0.2 -2,-0.0 -0.927 18.1-140.8-106.7 125.6 -38.3 -29.3 17.0 224 255 A F - 0 0 26 -2,-0.5 4,-0.1 1,-0.1 -2,-0.0 -0.765 17.6-177.4 -89.8 118.9 -42.0 -28.3 16.7 225 256 A R S S+ 0 0 119 -2,-0.6 2,-0.3 2,-0.1 -1,-0.1 0.477 70.2 46.0 -93.1 -6.6 -43.0 -25.9 19.4 226 257 A Q S S- 0 0 103 2,-0.0 2,-0.4 0, 0.0 -20,-0.0 -0.910 102.0 -85.7-134.1 156.9 -46.7 -25.8 18.3 227 258 A R + 0 0 186 -2,-0.3 2,-0.4 -21,-0.0 -2,-0.1 -0.541 55.8 169.9 -66.5 120.5 -49.1 -28.5 17.4 228 259 A V - 0 0 3 -2,-0.4 -4,-0.1 -4,-0.1 5,-0.1 -0.999 36.3-104.1-136.8 136.6 -48.6 -29.3 13.7 229 260 A S > - 0 0 25 -2,-0.4 4,-2.3 1,-0.1 5,-0.2 -0.123 29.8-116.3 -57.2 157.8 -50.1 -32.1 11.6 230 261 A X H > S+ 0 0 163 1,-0.2 4,-1.8 2,-0.2 -1,-0.1 0.836 115.0 53.3 -64.8 -35.3 -47.8 -35.1 10.7 231 262 A E H > S+ 0 0 98 2,-0.2 4,-2.0 1,-0.2 27,-0.3 0.895 109.8 47.0 -69.0 -40.9 -48.1 -34.3 7.0 232 263 A C H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.916 110.8 52.2 -67.4 -42.6 -47.1 -30.7 7.5 233 264 A Q H X S+ 0 0 48 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.878 109.3 51.4 -57.0 -40.0 -44.1 -31.7 9.7 234 265 A H H X S+ 0 0 102 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.927 109.1 48.5 -67.3 -45.6 -43.0 -34.1 7.0 235 266 A L H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 5,-0.2 0.928 113.1 48.7 -58.3 -46.2 -43.1 -31.5 4.2 236 267 A I H X S+ 0 0 0 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.934 111.5 48.3 -59.6 -47.0 -41.1 -29.1 6.4 237 268 A R H < S+ 0 0 103 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.804 110.1 53.2 -66.9 -27.3 -38.5 -31.7 7.3 238 269 A W H >< S+ 0 0 74 -4,-1.8 3,-1.7 1,-0.2 -1,-0.2 0.942 108.6 47.9 -73.4 -47.1 -38.2 -32.6 3.6 239 270 A C H 3< S+ 0 0 0 -4,-2.4 -41,-0.2 1,-0.3 -2,-0.2 0.808 112.8 52.6 -58.0 -31.2 -37.5 -29.0 2.6 240 271 A L T 3< S+ 0 0 4 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.081 75.4 143.7 -97.7 24.0 -35.0 -28.8 5.4 241 272 A A < - 0 0 18 -3,-1.7 6,-0.1 1,-0.1 -3,-0.1 -0.375 52.2-134.8 -58.0 140.5 -33.0 -31.9 4.5 242 273 A L S S+ 0 0 81 -23,-0.1 -62,-0.2 -22,-0.1 -1,-0.1 0.891 91.5 69.7 -68.7 -39.2 -29.3 -31.4 5.2 243 274 A R S >> S- 0 0 164 1,-0.2 3,-1.9 -64,-0.1 4,-0.5 -0.711 81.7-142.6 -80.7 119.2 -28.2 -32.8 1.8 244 275 A P G >4 S+ 0 0 47 0, 0.0 3,-1.6 0, 0.0 -1,-0.2 0.869 100.5 54.6 -47.9 -41.6 -29.2 -30.3 -0.9 245 276 A S G 34 S+ 0 0 94 1,-0.3 -3,-0.0 -3,-0.1 -2,-0.0 0.663 98.0 65.0 -72.8 -13.6 -30.1 -33.2 -3.3 246 277 A D G <4 S+ 0 0 81 -3,-1.9 -1,-0.3 2,-0.1 -4,-0.1 0.614 84.0 97.3 -79.4 -13.2 -32.4 -34.7 -0.6 247 278 A R S << S- 0 0 6 -3,-1.6 -8,-0.2 -4,-0.5 2,-0.1 -0.397 81.1-103.4 -76.6 153.6 -34.8 -31.6 -0.8 248 279 A P - 0 0 0 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.374 27.4-120.8 -71.2 154.3 -38.0 -31.7 -2.9 249 280 A T > - 0 0 48 1,-0.1 4,-2.3 -2,-0.1 5,-0.2 -0.417 37.0-100.1 -77.3 168.0 -38.3 -29.9 -6.3 250 281 A F H > S+ 0 0 24 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.917 127.2 53.9 -56.8 -40.4 -41.0 -27.3 -6.6 251 282 A E H > S+ 0 0 136 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.903 107.2 48.1 -60.7 -46.7 -43.1 -29.9 -8.3 252 283 A E H 4 S+ 0 0 84 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.852 110.2 53.8 -63.5 -34.9 -42.7 -32.4 -5.4 253 284 A I H >< S+ 0 0 0 -4,-2.3 3,-1.2 1,-0.2 6,-0.2 0.959 111.0 44.6 -61.3 -49.2 -43.6 -29.7 -2.9 254 285 A Q H 3< S+ 0 0 13 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.679 112.8 51.3 -74.6 -16.7 -46.9 -28.9 -4.8 255 286 A N T 3< S+ 0 0 109 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.403 84.6 120.0 -94.1 -0.3 -47.8 -32.6 -5.2 256 287 A H S X S- 0 0 8 -3,-1.2 3,-1.8 -4,-0.4 4,-0.3 -0.352 76.2-119.1 -63.8 141.7 -47.2 -33.2 -1.5 257 288 A P G > S+ 0 0 76 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.828 113.3 58.3 -49.9 -36.0 -50.3 -34.5 0.4 258 289 A W G 3 S+ 0 0 1 -27,-0.3 -26,-0.1 1,-0.2 -4,-0.1 0.740 100.8 57.2 -68.8 -20.9 -50.3 -31.5 2.7 259 290 A M G X S+ 0 0 1 -3,-1.8 3,-0.6 -6,-0.2 -1,-0.2 0.391 82.4 114.3 -92.7 2.5 -50.6 -29.1 -0.3 260 291 A Q T < S+ 0 0 80 -3,-1.2 -5,-0.1 -4,-0.3 -146,-0.0 -0.350 71.5 17.6 -78.1 153.8 -53.8 -30.6 -1.7 261 292 A D T 3 S- 0 0 153 1,-0.1 -1,-0.2 -2,-0.1 -147,-0.0 0.825 79.8-173.7 60.3 38.5 -57.2 -28.8 -1.9 262 293 A V < - 0 0 39 -3,-0.6 2,-0.2 1,-0.1 -1,-0.1 -0.236 23.9-113.4 -58.5 149.0 -55.7 -25.3 -1.5 263 294 A L - 0 0 27 -152,-0.3 -1,-0.1 1,-0.1 -2,-0.0 -0.533 29.3-107.6 -78.3 153.1 -58.2 -22.4 -1.1 264 295 A L > - 0 0 114 -2,-0.2 4,-1.8 1,-0.1 5,-0.2 -0.414 33.6-109.7 -70.3 157.1 -58.5 -19.7 -3.7 265 296 A P H > S+ 0 0 42 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.907 115.3 51.4 -56.7 -44.4 -57.1 -16.3 -2.8 266 297 A Q H > S+ 0 0 77 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.897 111.1 45.7 -67.0 -41.9 -60.5 -14.6 -2.5 267 298 A E H > S+ 0 0 68 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.810 108.4 58.2 -69.2 -27.5 -62.0 -17.3 -0.2 268 299 A T H X>S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 5,-0.6 0.923 109.1 45.9 -62.0 -43.2 -58.9 -17.1 1.9 269 300 A A H X>S+ 0 0 0 -4,-2.0 5,-3.3 -121,-0.3 4,-2.0 0.938 113.3 48.6 -64.1 -47.5 -59.6 -13.4 2.3 270 301 A E H <5S+ 0 0 120 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.943 120.6 35.4 -59.6 -49.7 -63.3 -14.0 3.2 271 302 A I H <5S+ 0 0 98 -4,-2.7 -1,-0.2 1,-0.1 -2,-0.2 0.838 136.2 14.9 -72.4 -36.6 -62.5 -16.8 5.7 272 303 A H H <5S+ 0 0 15 -4,-2.5 -3,-0.2 -5,-0.3 -2,-0.2 0.605 128.4 35.1-120.8 -18.9 -59.3 -15.5 7.3 273 304 A L T << 0 0 21 -4,-2.0 -3,-0.2 -5,-0.6 -4,-0.1 0.767 360.0 360.0-113.6 -37.0 -58.6 -11.8 6.4 274 305 A H < 0 0 135 -5,-3.3 -4,-0.1 -6,-0.2 -3,-0.1 0.924 360.0 360.0 -76.5 360.0 -62.0 -10.1 6.3