==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 17-JAN-11 3QCX . COMPND 2 MOLECULE: 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.R.MEDINA,C.J.BECKER,C.W.BLACKLEDGE,C.DUQUENNE,Y.FENG,S.W.G . 277 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13558.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 189 68.2 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 . 40 14.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 20 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 80 28.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.4 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 1 2 0 1 1 1 0 0 1 0 0 0 1 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 . 1 1 1 0 1 2 1 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 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 73 A Q 0 0 148 0, 0.0 3,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 140.8 -56.5 -4.6 12.9 2 74 A P - 0 0 112 0, 0.0 3,-0.1 0, 0.0 0, 0.0 -0.300 360.0 -85.3 -67.3 152.5 -54.5 -3.9 16.1 3 75 A R - 0 0 90 1,-0.1 2,-0.4 -2,-0.0 0, 0.0 0.047 53.9 -86.0 -49.4 163.1 -56.2 -2.4 19.2 4 76 A K - 0 0 142 -3,-0.1 -1,-0.1 1,-0.1 73,-0.1 -0.640 51.4-128.4 -72.6 125.9 -56.7 1.4 19.5 5 77 A K - 0 0 46 -2,-0.4 73,-0.2 71,-0.3 -1,-0.1 -0.229 23.2-161.5 -73.8 166.6 -53.5 2.7 21.1 6 78 A R > - 0 0 42 71,-0.1 3,-2.4 1,-0.1 4,-0.3 -0.960 35.2-100.4-144.4 160.8 -53.4 5.0 24.2 7 79 A P G > S+ 0 0 23 0, 0.0 3,-1.9 0, 0.0 5,-0.1 0.838 119.4 61.2 -53.2 -34.8 -50.9 7.4 25.8 8 80 A E G 3 S+ 0 0 138 1,-0.3 22,-0.1 3,-0.1 -3,-0.0 0.688 90.0 72.5 -67.9 -13.7 -49.9 4.8 28.4 9 81 A D G < S+ 0 0 63 -3,-2.4 21,-2.8 20,-0.1 22,-0.4 0.658 98.6 57.9 -72.1 -12.3 -48.8 2.6 25.5 10 82 A F E < -A 29 0A 13 -3,-1.9 2,-0.6 -4,-0.3 19,-0.2 -0.835 68.5-140.2-123.7 151.9 -45.8 4.9 25.1 11 83 A K E -A 28 0A 141 17,-2.4 17,-2.6 -2,-0.3 2,-0.2 -0.963 35.8-147.3 -98.1 109.7 -42.8 6.4 26.8 12 84 A F E +A 27 0A 73 -2,-0.6 15,-0.3 15,-0.2 2,-0.1 -0.531 25.5 163.7 -78.1 147.4 -42.7 10.0 25.6 13 85 A G E + 0 0 49 13,-3.4 -1,-0.1 1,-0.3 14,-0.1 -0.121 38.6 0.5-128.8-128.0 -39.4 11.9 25.2 14 86 A K E - 0 0 131 11,-0.1 12,-2.6 1,-0.1 2,-0.5 -0.147 66.8-103.8 -73.8 158.7 -38.1 15.0 23.5 15 87 A I E -A 25 0A 97 10,-0.2 10,-0.3 1,-0.1 -1,-0.1 -0.685 31.5-178.0 -78.8 125.9 -39.9 17.6 21.5 16 88 A L E - 0 0 57 8,-3.4 2,-0.3 -2,-0.5 9,-0.2 0.646 65.1 -6.0 -96.9 -21.6 -39.2 17.1 17.8 17 89 A G E -A 24 0A 23 7,-1.4 7,-3.0 2,-0.0 2,-0.4 -0.964 53.4-149.6-173.4 150.9 -41.3 20.0 16.5 18 90 A E E +A 23 0A 159 -2,-0.3 2,-0.2 5,-0.2 5,-0.2 -0.993 17.7 172.1-134.5 130.8 -43.6 22.8 17.4 19 91 A G - 0 0 44 3,-3.1 3,-0.1 -2,-0.4 -2,-0.0 -0.714 50.2 -91.6-123.3-178.6 -46.3 24.5 15.4 20 92 A S S S+ 0 0 103 -2,-0.2 3,-0.0 1,-0.2 -1,-0.0 0.870 124.7 18.0 -59.5 -36.4 -49.1 26.9 16.1 21 93 A F S S+ 0 0 56 20,-0.0 21,-0.6 30,-0.0 2,-0.3 0.310 125.0 38.8-122.4 8.5 -51.6 24.2 16.8 22 94 A S E - B 0 41A 19 19,-0.2 -3,-3.1 -3,-0.1 2,-0.3 -0.966 52.4-148.8-153.7 168.1 -49.5 21.1 17.5 23 95 A T E -AB 18 40A 47 17,-1.8 17,-3.9 -2,-0.3 2,-0.5 -0.992 15.9-145.4-141.4 136.4 -46.4 19.7 19.1 24 96 A V E -AB 17 39A 30 -7,-3.0 -8,-3.4 -2,-0.3 -7,-1.4 -0.910 20.7-175.3-108.0 125.0 -44.5 16.6 17.8 25 97 A V E -AB 15 38A 15 13,-2.8 13,-3.3 -2,-0.5 2,-0.3 -0.952 26.8-121.2-123.7 139.7 -42.9 14.4 20.5 26 98 A L E + B 0 37A 23 -12,-2.6 -13,-3.4 -2,-0.4 2,-0.3 -0.636 39.1 177.7 -74.8 133.5 -40.7 11.4 20.1 27 99 A A E -AB 12 36A 1 9,-2.4 9,-2.6 -2,-0.3 2,-0.6 -0.997 24.5-142.5-139.8 143.2 -42.3 8.4 21.8 28 100 A R E -AB 11 35A 84 -17,-2.6 -17,-2.4 -2,-0.3 2,-0.5 -0.928 21.5-130.7-106.6 124.7 -41.3 4.7 22.2 29 101 A E E >> -A 10 0A 12 5,-2.9 4,-2.3 -2,-0.6 3,-0.8 -0.617 17.8-146.9 -70.1 124.2 -44.1 2.2 22.0 30 102 A L T 34 S+ 0 0 109 -21,-2.8 -1,-0.2 -2,-0.5 -20,-0.1 0.940 91.3 52.0 -66.0 -46.8 -43.5 0.1 25.0 31 103 A A T 34 S+ 0 0 97 -22,-0.4 -1,-0.2 1,-0.2 -21,-0.1 0.704 126.3 22.4 -61.4 -19.2 -44.7 -3.2 23.6 32 104 A T T <4 S- 0 0 60 -3,-0.8 -1,-0.2 2,-0.2 -2,-0.2 0.573 89.9-127.4-124.4 -16.1 -42.5 -3.0 20.5 33 105 A S < + 0 0 70 -4,-2.3 2,-0.2 1,-0.2 -3,-0.1 0.517 60.6 150.4 67.2 7.8 -39.6 -0.7 21.3 34 106 A R - 0 0 151 -5,-0.4 -5,-2.9 -6,-0.1 2,-0.4 -0.455 41.6-134.1 -72.8 138.2 -40.7 1.1 18.1 35 107 A E E +B 28 0A 72 -7,-0.2 54,-0.5 -2,-0.2 2,-0.3 -0.777 26.2 176.9 -95.3 137.8 -40.1 4.9 17.8 36 108 A Y E -B 27 0A 19 -9,-2.6 -9,-2.4 -2,-0.4 2,-0.8 -0.956 33.7-129.4-133.8 153.3 -42.7 7.2 16.5 37 109 A A E -BC 26 87A 7 50,-2.9 50,-2.5 -2,-0.3 2,-0.8 -0.912 33.0-158.5 -97.8 103.5 -43.1 11.0 16.1 38 110 A I E -BC 25 86A 0 -13,-3.3 -13,-2.8 -2,-0.8 2,-0.6 -0.789 4.5-151.6 -92.8 113.3 -46.4 11.6 17.8 39 111 A K E -BC 24 85A 22 46,-2.6 46,-2.4 -2,-0.8 2,-0.5 -0.753 15.5-159.1 -81.0 118.7 -48.1 14.8 16.7 40 112 A I E -BC 23 84A 26 -17,-3.9 -17,-1.8 -2,-0.6 2,-0.4 -0.860 10.9-176.8-107.0 128.1 -50.1 16.0 19.7 41 113 A L E -BC 22 83A 6 42,-2.9 42,-2.9 -2,-0.5 2,-0.8 -0.971 25.8-129.3-125.5 137.8 -53.0 18.5 19.2 42 114 A E E > - C 0 82A 87 -21,-0.6 4,-2.0 -2,-0.4 3,-0.3 -0.760 15.2-150.1 -87.2 114.2 -55.2 20.1 21.8 43 115 A K H > S+ 0 0 46 38,-2.5 4,-2.3 -2,-0.8 5,-0.2 0.915 93.6 49.9 -44.9 -55.1 -58.9 19.5 20.8 44 116 A R H > S+ 0 0 161 37,-0.4 4,-3.3 1,-0.2 -1,-0.2 0.876 110.6 49.3 -54.9 -44.9 -60.2 22.8 22.4 45 117 A H H > S+ 0 0 48 -3,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.867 110.5 51.2 -65.5 -37.7 -57.5 25.0 20.7 46 118 A I H <>S+ 0 0 8 -4,-2.0 5,-3.1 2,-0.2 6,-0.5 0.910 115.6 40.8 -63.8 -43.7 -58.3 23.4 17.3 47 119 A I H ><5S+ 0 0 111 -4,-2.3 3,-2.2 -5,-0.2 -2,-0.2 0.966 112.5 54.8 -69.4 -52.1 -62.0 24.1 17.7 48 120 A K H 3<5S+ 0 0 92 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.825 115.1 40.7 -49.3 -35.3 -61.4 27.5 19.2 49 121 A E T 3<5S- 0 0 77 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.351 110.4-117.2-100.9 8.4 -59.3 28.4 16.2 50 122 A N T < 5S+ 0 0 126 -3,-2.2 -3,-0.2 -4,-0.2 4,-0.2 0.903 71.8 134.0 56.4 46.5 -61.5 26.8 13.4 51 123 A K >>< + 0 0 57 -5,-3.1 4,-1.9 1,-0.2 3,-0.6 0.380 28.5 106.3-105.9 4.8 -58.7 24.4 12.5 52 124 A V H 3> S+ 0 0 69 -6,-0.5 4,-2.6 1,-0.2 5,-0.3 0.888 77.5 54.6 -54.3 -42.1 -60.7 21.2 12.3 53 125 A P H 3> S+ 0 0 89 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.891 108.7 49.8 -60.3 -35.7 -60.7 21.1 8.5 54 126 A Y H <> S+ 0 0 57 -3,-0.6 4,-2.6 2,-0.2 -2,-0.2 0.920 111.9 45.2 -67.7 -45.4 -56.8 21.3 8.5 55 127 A V H X S+ 0 0 15 -4,-1.9 4,-2.6 2,-0.2 5,-0.2 0.915 116.0 47.8 -64.8 -43.6 -56.4 18.5 11.0 56 128 A T H X S+ 0 0 65 -4,-2.6 4,-2.8 -5,-0.2 5,-0.2 0.938 109.6 52.6 -59.7 -50.1 -58.9 16.4 9.2 57 129 A R H X S+ 0 0 58 -4,-2.8 4,-2.5 -5,-0.3 5,-0.2 0.927 111.4 48.0 -52.7 -46.4 -57.2 17.2 5.8 58 130 A E H X S+ 0 0 3 -4,-2.6 4,-2.8 2,-0.2 5,-0.3 0.938 111.2 47.6 -61.7 -51.3 -53.9 16.0 7.3 59 131 A R H X S+ 0 0 101 -4,-2.6 4,-1.2 1,-0.2 -1,-0.2 0.920 115.1 48.2 -56.2 -42.9 -55.2 12.8 8.8 60 132 A D H X S+ 0 0 83 -4,-2.8 4,-1.1 -5,-0.2 -1,-0.2 0.902 116.6 40.2 -68.1 -40.1 -56.9 12.0 5.5 61 133 A V H X S+ 0 0 0 -4,-2.5 4,-0.7 -5,-0.2 3,-0.4 0.953 114.1 50.3 -73.8 -48.4 -54.0 12.7 3.3 62 134 A M H < S+ 0 0 0 -4,-2.8 11,-1.5 1,-0.3 -1,-0.2 0.680 107.7 55.9 -69.9 -18.7 -51.2 11.2 5.4 63 135 A S H < S+ 0 0 48 -4,-1.2 -1,-0.3 -5,-0.3 -2,-0.2 0.883 108.8 46.1 -73.5 -42.4 -53.3 8.0 5.7 64 136 A R H < S+ 0 0 114 -4,-1.1 2,-0.5 -3,-0.4 -2,-0.2 0.465 88.2 102.0 -80.4 -7.2 -53.6 7.5 2.0 65 137 A L < + 0 0 3 -4,-0.7 8,-0.2 6,-0.1 2,-0.1 -0.716 40.5 170.2 -83.4 127.7 -49.9 8.2 1.2 66 138 A D + 0 0 130 -2,-0.5 -1,-0.1 6,-0.1 6,-0.0 -0.559 35.6 105.3-138.1 70.9 -48.0 5.0 0.6 67 139 A H S > S- 0 0 48 3,-0.2 3,-1.5 -2,-0.1 -2,-0.0 -0.991 71.8-120.0-155.7 136.6 -44.6 5.9 -0.7 68 140 A P T 3 S+ 0 0 54 0, 0.0 4,-0.1 0, 0.0 78,-0.1 0.704 105.3 64.4 -56.5 -25.8 -41.1 5.9 0.9 69 141 A F T 3 S+ 0 0 3 79,-0.1 80,-2.8 47,-0.1 2,-0.4 0.223 94.5 74.7 -88.0 17.3 -40.5 9.7 0.5 70 142 A F B < S-e 149 0B 8 -3,-1.5 80,-0.2 78,-0.3 -3,-0.2 -0.987 85.2-113.2-131.0 137.7 -43.4 10.7 2.8 71 143 A V - 0 0 2 78,-2.3 2,-0.3 -2,-0.4 -6,-0.1 -0.460 42.9-135.9 -58.8 136.1 -43.9 10.6 6.6 72 144 A K - 0 0 56 -2,-0.1 16,-1.6 -4,-0.1 2,-0.7 -0.771 4.7-135.6-104.8 141.0 -46.6 8.0 7.2 73 145 A L E +D 87 0A 8 -11,-1.5 14,-0.2 -2,-0.3 3,-0.1 -0.894 27.2 174.6 -90.6 117.4 -49.6 8.3 9.5 74 146 A Y E - 0 0 127 12,-3.5 2,-0.3 -2,-0.7 -1,-0.1 0.728 56.7 -22.7 -97.6 -26.8 -49.7 5.0 11.4 75 147 A F E -D 86 0A 25 11,-0.7 11,-3.4 2,-0.0 -1,-0.3 -0.966 50.6-146.7-174.2 165.0 -52.5 5.5 13.9 76 148 A T E +D 85 0A 9 -2,-0.3 -71,-0.3 9,-0.2 2,-0.3 -0.966 20.3 157.7-139.2 153.2 -54.5 8.0 15.8 77 149 A F E -D 84 0A 8 7,-1.6 7,-3.0 -2,-0.3 2,-0.3 -0.947 17.6-151.7-158.7 177.4 -56.1 8.1 19.2 78 150 A Q E -D 83 0A 121 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.953 5.3-157.9-145.1 162.3 -57.3 10.7 21.7 79 151 A D - 0 0 58 3,-2.0 5,-0.0 -2,-0.3 -2,-0.0 -0.514 58.8 -64.0-117.1-159.0 -57.8 11.3 25.3 80 152 A D S S+ 0 0 142 -2,-0.2 3,-0.0 1,-0.2 -2,-0.0 0.915 132.0 11.6 -51.3 -48.0 -60.1 13.9 27.1 81 153 A E S S+ 0 0 122 -38,-0.1 -38,-2.5 -39,-0.0 -37,-0.4 0.662 116.5 68.9-107.9 -18.5 -58.2 16.9 25.7 82 154 A K E -C 42 0A 87 -40,-0.2 -3,-2.0 -39,-0.1 2,-0.4 -0.817 51.4-151.4-122.7 148.1 -55.8 15.6 23.0 83 155 A L E -CD 41 78A 28 -42,-2.9 -42,-2.9 -2,-0.3 2,-0.5 -0.919 20.7-162.0-100.5 137.0 -55.4 14.2 19.5 84 156 A Y E -CD 40 77A 12 -7,-3.0 -7,-1.6 -2,-0.4 2,-0.5 -0.978 6.4-168.6-122.9 126.1 -52.4 12.0 18.8 85 157 A F E -CD 39 76A 5 -46,-2.4 -46,-2.6 -2,-0.5 2,-0.9 -0.971 17.4-142.0-112.2 122.7 -51.2 11.2 15.4 86 158 A G E +CD 38 75A 0 -11,-3.4 -12,-3.5 -2,-0.5 -11,-0.7 -0.727 31.8 179.9 -84.8 109.7 -48.6 8.5 15.2 87 159 A L E -CD 37 73A 6 -50,-2.5 -50,-2.9 -2,-0.9 -14,-0.2 -0.753 35.7 -86.3-110.7 156.1 -46.1 9.5 12.5 88 160 A S - 0 0 11 -16,-1.6 2,-0.7 -2,-0.3 -52,-0.1 -0.286 43.4-127.9 -42.2 133.3 -42.9 8.1 10.9 89 161 A Y - 0 0 47 -54,-0.5 2,-1.1 -53,-0.1 54,-0.3 -0.848 17.8-163.0 -92.3 111.8 -39.9 9.2 13.0 90 162 A A > - 0 0 8 -2,-0.7 3,-1.9 1,-0.2 51,-0.3 -0.795 7.0-163.9 -97.0 97.3 -37.4 10.8 10.6 91 163 A K T 3 S+ 0 0 109 -2,-1.1 51,-0.2 1,-0.3 -1,-0.2 0.769 80.0 53.4 -58.8 -35.4 -34.3 10.6 12.9 92 164 A N T 3 S- 0 0 41 49,-1.7 -1,-0.3 1,-0.2 50,-0.2 0.439 94.8-153.5 -85.4 3.3 -32.1 13.1 11.1 93 165 A G < + 0 0 26 -3,-1.9 48,-2.6 48,-0.5 -1,-0.2 -0.208 43.7 11.6 66.1-147.6 -34.7 15.9 11.2 94 166 A E B >> -F 140 0B 64 46,-0.2 4,-1.0 1,-0.1 3,-0.9 -0.364 49.2-138.4 -81.0 140.3 -35.0 18.8 8.7 95 167 A L H 3> S+ 0 0 2 44,-2.6 4,-2.1 41,-0.8 42,-0.2 0.825 107.5 65.8 -51.6 -34.4 -33.4 19.4 5.4 96 168 A L H 3> S+ 0 0 29 40,-1.6 4,-2.5 1,-0.2 -1,-0.2 0.874 92.6 59.4 -57.1 -39.6 -33.0 23.0 6.6 97 169 A K H <> S+ 0 0 82 -3,-0.9 4,-3.1 39,-0.2 -1,-0.2 0.911 108.1 46.1 -55.4 -43.7 -30.6 21.7 9.4 98 170 A Y H X S+ 0 0 19 -4,-1.0 4,-2.6 2,-0.2 5,-0.3 0.894 107.7 53.5 -73.6 -38.1 -28.3 20.4 6.7 99 171 A I H X S+ 0 0 3 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.965 116.5 41.4 -56.8 -50.2 -28.4 23.5 4.4 100 172 A R H < S+ 0 0 192 -4,-2.5 3,-0.2 2,-0.2 -2,-0.2 0.957 113.8 53.0 -57.9 -54.0 -27.4 25.5 7.5 101 173 A K H < S+ 0 0 132 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.917 124.9 22.7 -48.6 -54.8 -24.8 22.9 8.7 102 174 A I H < S- 0 0 62 -4,-2.6 2,-1.4 -5,-0.1 -1,-0.2 0.471 98.2-130.9-102.7 -1.8 -22.9 22.6 5.5 103 175 A G S < S- 0 0 39 -4,-1.6 2,-0.3 -5,-0.3 -1,-0.1 -0.484 74.7 -5.5 91.9 -68.3 -23.8 26.0 3.9 104 176 A S S S- 0 0 55 -2,-1.4 92,-0.2 -6,-0.1 91,-0.1 -0.962 78.1-105.7-159.6 151.0 -24.8 24.8 0.4 105 177 A F - 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0 0 7 -3,-0.8 -36,-0.1 -4,-0.8 -6,-0.0 -0.394 57.7-129.4 -59.9 129.2 -45.2 31.3 -1.9 170 250 A S > - 0 0 3 -2,-0.1 4,-0.7 1,-0.1 3,-0.4 -0.425 15.9-117.9 -78.5 158.1 -46.0 31.1 -5.6 171 251 A P H >> S+ 0 0 6 0, 0.0 4,-2.1 0, 0.0 3,-0.9 0.864 111.4 62.0 -67.0 -39.4 -47.2 34.3 -7.5 172 252 A E H 3> S+ 0 0 11 1,-0.3 4,-1.6 2,-0.2 6,-1.0 0.850 100.6 56.7 -52.8 -35.6 -50.6 32.9 -8.4 173 253 A L H 3> S+ 0 0 22 -3,-0.4 4,-1.0 4,-0.2 -1,-0.3 0.852 111.6 40.5 -66.4 -32.9 -51.2 32.7 -4.7 174 254 A L H << S+ 0 0 55 -3,-0.9 -2,-0.2 -4,-0.7 -1,-0.2 0.759 119.5 44.1 -84.6 -26.8 -50.5 36.4 -4.3 175 255 A T H < S+ 0 0 83 -4,-2.1 -2,-0.2 3,-0.1 -3,-0.2 0.514 135.2 1.2-104.4 -8.2 -52.3 37.6 -7.4 176 256 A E H < S- 0 0 116 -4,-1.6 -3,-0.2 -5,-0.2 -2,-0.2 0.298 87.5-109.0-170.1 34.4 -55.5 35.5 -7.1 177 257 A K S < S+ 0 0 143 -4,-1.0 -4,-0.2 1,-0.2 2,-0.2 0.589 76.4 125.3 59.7 13.6 -55.8 33.3 -4.1 178 258 A S - 0 0 47 -6,-1.0 2,-0.3 -17,-0.1 -1,-0.2 -0.613 40.6-165.0-109.6 166.9 -55.4 30.1 -6.1 179 259 A A + 0 0 31 -2,-0.2 2,-0.2 -3,-0.1 -49,-0.0 -0.992 10.0 169.5-150.6 137.7 -53.1 27.0 -6.0 180 260 A C >> - 0 0 49 -2,-0.3 3,-1.6 -48,-0.0 4,-0.7 -0.760 56.9 -86.0-133.8-179.9 -52.3 24.3 -8.5 181 261 A K H >> S+ 0 0 41 1,-0.3 4,-1.2 -2,-0.2 3,-0.8 0.843 125.5 68.4 -57.5 -33.1 -49.7 21.5 -8.8 182 262 A S H 3> S+ 0 0 5 1,-0.3 4,-2.3 2,-0.2 -1,-0.3 0.743 86.9 66.6 -57.2 -24.8 -47.5 24.2 -10.3 183 263 A S H <> S+ 0 0 8 -3,-1.6 4,-2.1 1,-0.2 -1,-0.3 0.909 101.1 47.3 -66.2 -41.0 -47.4 25.9 -6.9 184 264 A D H S- 0 0 82 1,-0.1 4,-1.6 -3,-0.0 5,-0.1 -0.901 81.5 -85.8-153.8-179.6 -40.3 41.4 5.9 207 287 A E H > S+ 0 0 120 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 0.897 120.3 55.4 -63.4 -44.3 -43.1 39.4 4.3 208 288 A Y H > S+ 0 0 161 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.926 109.6 46.4 -53.8 -49.7 -44.5 42.3 2.3 209 289 A L H > S+ 0 0 65 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.830 111.3 52.0 -65.4 -33.9 -41.1 43.0 0.6 210 290 A I H X S+ 0 0 8 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.948 109.2 50.1 -66.3 -48.3 -40.6 39.3 -0.1 211 291 A F H X S+ 0 0 41 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.838 107.8 54.4 -56.7 -34.1 -44.0 39.2 -1.8 212 292 A Q H X S+ 0 0 78 -4,-1.7 4,-1.0 -5,-0.2 -1,-0.2 0.915 108.2 47.5 -73.1 -42.0 -43.2 42.2 -3.8 213 293 A K H <>S+ 0 0 61 -4,-1.9 5,-2.9 1,-0.2 4,-0.5 0.912 109.8 56.2 -60.8 -40.3 -40.0 40.6 -5.2 214 294 A I H ><5S+ 0 0 0 -4,-2.5 3,-1.5 1,-0.2 -2,-0.2 0.948 106.3 46.7 -58.8 -50.7 -42.0 37.4 -5.9 215 295 A I H 3<5S+ 0 0 82 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.711 117.4 44.7 -70.4 -14.6 -44.6 39.1 -8.1 216 296 A K T 3<5S- 0 0 138 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.375 108.3-125.5-102.7 0.5 -41.8 41.0 -10.0 217 297 A L T < 5 + 0 0 62 -3,-1.5 2,-1.1 -4,-0.5 -3,-0.2 0.901 48.0 171.0 55.6 43.7 -39.7 37.8 -10.3 218 298 A E < + 0 0 91 -5,-2.9 2,-0.3 -6,-0.1 -1,-0.2 -0.699 26.6 94.7 -96.0 94.6 -37.0 39.8 -8.6 219 299 A Y - 0 0 40 -2,-1.1 2,-0.3 -3,-0.1 -17,-0.1 -0.935 46.7-160.5-160.7 168.2 -34.1 37.5 -7.7 220 300 A D - 0 0 121 -19,-0.3 -2,-0.0 -2,-0.3 0, 0.0 -0.992 21.4 -96.9-158.8 173.6 -30.8 36.4 -9.3 221 301 A F - 0 0 26 -2,-0.3 2,-0.1 1,-0.0 -28,-0.0 -0.654 28.5-125.5 -96.3 137.8 -28.2 33.7 -9.4 222 302 A P > - 0 0 57 0, 0.0 3,-0.9 0, 0.0 -1,-0.0 -0.439 33.8-109.8 -65.4 157.6 -24.8 33.8 -7.6 223 303 A E T 3 S+ 0 0 110 1,-0.2 -2,-0.0 -2,-0.1 0, 0.0 0.878 114.2 57.9 -55.0 -43.1 -21.8 33.3 -10.0 224 304 A K T 3 S+ 0 0 96 2,-0.1 -1,-0.2 -27,-0.1 -3,-0.0 0.694 75.7 126.2 -71.6 -16.8 -21.0 29.8 -8.6 225 305 A F S < S- 0 0 11 -3,-0.9 5,-0.1 1,-0.1 -4,-0.0 -0.085 73.3-104.5 -44.3 125.0 -24.5 28.4 -9.3 226 306 A F > - 0 0 43 1,-0.1 4,-3.3 2,-0.1 5,-0.2 -0.322 27.8-135.5 -55.4 125.2 -24.3 25.1 -11.4 227 307 A P H > S+ 0 0 106 0, 0.0 4,-3.0 0, 0.0 5,-0.1 0.853 103.3 45.6 -56.7 -43.5 -25.4 26.1 -15.0 228 308 A K H > S+ 0 0 96 2,-0.2 4,-2.5 1,-0.2 33,-0.3 0.898 114.2 49.2 -68.9 -39.2 -27.7 23.1 -15.5 229 309 A A H > S+ 0 0 0 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.919 111.8 50.7 -59.4 -44.2 -29.2 23.7 -12.0 230 310 A R H X S+ 0 0 109 -4,-3.3 4,-2.3 1,-0.2 -2,-0.2 0.962 109.8 48.5 -61.1 -51.7 -29.6 27.4 -13.0 231 311 A D H X S+ 0 0 56 -4,-3.0 4,-0.9 1,-0.2 -1,-0.2 0.891 112.3 49.4 -54.4 -42.5 -31.3 26.5 -16.3 232 312 A L H >X S+ 0 0 0 -4,-2.5 3,-0.8 1,-0.2 4,-0.7 0.926 108.9 52.0 -62.2 -45.4 -33.6 24.1 -14.4 233 313 A V H >X S+ 0 0 0 -4,-2.9 4,-2.9 1,-0.2 3,-1.1 0.898 105.9 55.2 -60.2 -36.9 -34.5 26.8 -11.8 234 314 A E H 3< S+ 0 0 77 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.761 104.8 53.7 -66.3 -23.6 -35.3 29.2 -14.6 235 315 A K H << S+ 0 0 87 -4,-0.9 10,-2.3 -3,-0.8 -1,-0.2 0.605 116.2 39.1 -86.2 -7.7 -37.8 26.6 -16.0 236 316 A L H << S+ 0 0 0 -3,-1.1 2,-1.8 -4,-0.7 -2,-0.2 0.765 102.7 66.1-105.6 -40.8 -39.5 26.4 -12.6 237 317 A L S < S+ 0 0 4 -4,-2.9 2,-0.5 -5,-0.2 -1,-0.2 -0.561 71.2 138.7 -85.8 72.4 -39.5 30.0 -11.4 238 318 A V - 0 0 37 -2,-1.8 5,-0.1 1,-0.2 6,-0.1 -0.979 53.8-141.8-122.8 128.2 -41.9 31.3 -14.1 239 319 A L S S+ 0 0 75 -2,-0.5 2,-0.6 -68,-0.1 -67,-0.2 0.940 91.5 72.7 -55.4 -50.0 -44.6 33.8 -13.2 240 320 A D S > S- 0 0 75 1,-0.2 3,-1.4 -3,-0.1 -2,-0.1 -0.574 73.8-158.9 -68.0 112.8 -47.0 32.0 -15.6 241 321 A A G > S+ 0 0 16 -2,-0.6 3,-1.0 1,-0.3 -1,-0.2 0.712 86.9 64.8 -69.7 -22.3 -47.8 28.8 -13.8 242 322 A T G 3 S+ 0 0 51 1,-0.2 -1,-0.3 7,-0.1 -2,-0.1 0.587 100.4 55.2 -75.1 -6.3 -48.9 27.0 -17.0 243 323 A K G < S+ 0 0 118 -3,-1.4 2,-0.4 -5,-0.1 -1,-0.2 0.214 76.0 116.7-115.0 13.6 -45.3 27.3 -18.2 244 324 A R S X S- 0 0 0 -3,-1.0 3,-2.3 -6,-0.1 6,-0.2 -0.706 75.4-105.9 -85.3 131.3 -43.4 25.6 -15.3 245 325 A L T 3 S+ 0 0 18 -10,-2.3 3,-0.1 -2,-0.4 8,-0.1 -0.333 106.7 28.3 -56.7 128.6 -41.6 22.5 -16.3 246 326 A G T 3 S+ 0 0 4 1,-0.4 -1,-0.3 6,-0.4 7,-0.2 0.144 90.2 117.6 106.1 -18.9 -43.5 19.5 -14.8 247 327 A C S X >S- 0 0 4 -3,-2.3 5,-2.3 5,-0.2 3,-1.8 -0.433 79.4-104.0 -81.7 163.8 -47.0 21.0 -14.9 248 328 A E G > 5S+ 0 0 131 1,-0.3 3,-1.6 3,-0.2 -1,-0.1 0.811 119.8 54.7 -59.7 -37.4 -49.7 19.4 -17.0 249 329 A E G 3 5S+ 0 0 117 1,-0.3 -1,-0.3 2,-0.1 -7,-0.1 0.608 108.5 50.2 -72.3 -13.5 -49.6 22.1 -19.7 250 330 A M G < 5S- 0 0 67 -3,-1.8 -1,-0.3 -6,-0.2 -4,-0.2 0.187 129.3-100.7-104.6 12.1 -45.9 21.4 -20.1 251 331 A E T X 5 - 0 0 149 -3,-1.6 3,-0.5 -6,-0.1 -3,-0.2 0.740 57.3-103.1 72.0 29.0 -46.7 17.7 -20.4 252 332 A G T 3>< - 0 0 15 -5,-2.3 4,-1.0 1,-0.2 -6,-0.4 -0.127 69.3 -18.9 76.3-153.0 -45.8 16.7 -16.8 253 333 A Y H 3> S+ 0 0 24 1,-0.2 4,-3.5 2,-0.2 5,-0.2 0.668 113.9 74.8 -80.6 -20.1 -42.9 14.9 -15.2 254 334 A G H <> S+ 0 0 49 -3,-0.5 4,-1.4 2,-0.2 -1,-0.2 0.972 103.5 38.3 -54.5 -59.7 -41.4 13.2 -18.2 255 335 A P H 4 S+ 0 0 55 0, 0.0 -1,-0.2 0, 0.0 -2,-0.2 0.886 117.3 53.5 -60.9 -38.2 -39.9 16.5 -19.6 256 336 A L H >< S+ 0 0 0 -4,-1.0 3,-2.0 1,-0.2 -2,-0.2 0.973 110.8 44.1 -59.2 -54.9 -39.0 17.5 -16.0 257 337 A K H 3< S+ 0 0 50 -4,-3.5 -1,-0.2 1,-0.3 -3,-0.2 0.719 108.9 61.0 -63.5 -19.6 -37.2 14.3 -15.3 258 338 A A T 3< S+ 0 0 75 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.401 74.6 126.6 -90.1 6.1 -35.5 14.6 -18.7 259 339 A H S X S- 0 0 9 -3,-2.0 3,-2.8 1,-0.1 -3,-0.0 -0.382 72.3-119.8 -64.8 141.7 -33.9 17.9 -17.8 260 340 A P G > S+ 0 0 62 0, 0.0 3,-1.9 0, 0.0 4,-0.2 0.741 110.6 70.2 -55.6 -28.0 -30.1 17.8 -18.4 261 341 A F G 3 S+ 0 0 0 -33,-0.3 3,-0.3 1,-0.3 -32,-0.1 0.761 100.2 49.1 -56.4 -27.3 -29.5 18.5 -14.7 262 342 A F G X S+ 0 0 5 -3,-2.8 3,-2.6 1,-0.2 -1,-0.3 0.172 75.2 125.3 -99.5 18.1 -30.8 15.0 -14.1 263 343 A E T < S+ 0 0 144 -3,-1.9 -1,-0.2 1,-0.3 -2,-0.1 0.874 77.1 39.3 -42.9 -54.4 -28.5 13.4 -16.7 264 344 A S T 3 S+ 0 0 88 -3,-0.3 2,-0.4 -4,-0.2 -1,-0.3 0.234 91.6 118.1 -88.4 16.9 -26.9 10.9 -14.4 265 345 A V < - 0 0 25 -3,-2.6 2,-0.8 -8,-0.1 3,-0.1 -0.695 51.0-155.6 -89.4 133.4 -30.1 10.1 -12.4 266 346 A T > - 0 0 82 -2,-0.4 3,-0.6 1,-0.1 7,-0.1 -0.909 15.5-173.4 -96.1 106.2 -31.7 6.6 -12.2 267 347 A W G > + 0 0 48 -2,-0.8 3,-0.6 1,-0.2 -1,-0.1 0.652 64.6 76.7 -74.1 -18.7 -35.2 7.6 -11.4 268 348 A E G 3 S+ 0 0 98 1,-0.2 -1,-0.2 2,-0.1 3,-0.1 0.752 109.4 12.5 -72.8 -32.8 -36.6 4.1 -10.8 269 349 A N G X> + 0 0 69 -3,-0.6 3,-1.7 1,-0.1 4,-1.1 -0.224 68.2 146.1-143.9 43.8 -35.2 3.2 -7.4 270 350 A L G X4 S+ 0 0 5 -3,-0.6 3,-0.8 1,-0.3 -2,-0.1 0.873 76.6 58.3 -52.3 -40.2 -33.9 6.3 -5.8 271 351 A H G 34 S+ 0 0 76 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.752 105.8 49.2 -62.5 -26.3 -35.0 5.0 -2.4 272 352 A Q G <4 S+ 0 0 150 -3,-1.7 -1,-0.3 2,-0.1 -2,-0.2 0.620 95.4 91.9 -89.1 -16.7 -32.8 1.9 -2.9 273 353 A Q S << S- 0 0 52 -4,-1.1 -3,-0.0 -3,-0.8 0, 0.0 -0.426 85.4-110.7 -77.5 159.5 -29.8 4.0 -3.9 274 354 A T - 0 0 130 -2,-0.1 3,-0.1 1,-0.0 -1,-0.1 -0.804 36.4-119.9 -87.9 119.2 -27.3 5.1 -1.3 275 355 A P - 0 0 22 0, 0.0 -166,-0.1 0, 0.0 3,-0.1 -0.260 30.6-103.7 -61.7 142.4 -27.5 8.9 -0.8 276 356 A P - 0 0 29 0, 0.0 2,-0.2 0, 0.0 -163,-0.0 -0.343 45.4-100.4 -60.8 146.6 -24.3 10.9 -1.5 277 357 A K 0 0 91 1,-0.1 -168,-0.1 -3,-0.1 -132,-0.0 -0.464 360.0 360.0 -70.7 138.2 -22.5 11.9 1.6 278 358 A L 0 0 78 -2,-0.2 -1,-0.1 -3,-0.1 -172,-0.1 0.803 360.0 360.0 -86.9 360.0 -23.0 15.5 2.8