==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 16-DEC-03 1UU8 . COMPND 2 MOLECULE: 3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE-1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.KOMANDER,G.S.KULAR,A.W.SCHUTTELKOPF,M.DEAK,K.R.PRAKASH, . 278 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13624.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 194 69.8 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 . 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 . 23 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 78 28.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.2 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 0 2 0 1 0 2 1 0 0 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 72 A P 0 0 193 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 95.6 37.8 52.5 27.9 2 73 A Q - 0 0 92 1,-0.2 3,-0.1 0, 0.0 0, 0.0 -0.414 360.0 -73.8 -91.8 166.8 36.9 56.1 28.9 3 74 A P - 0 0 109 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.198 66.0 -80.1 -57.6 150.0 37.8 58.0 32.1 4 75 A R - 0 0 90 1,-0.1 0, 0.0 -3,-0.1 0, 0.0 -0.143 61.5 -91.4 -47.1 144.0 35.9 57.1 35.3 5 76 A K - 0 0 138 -3,-0.1 -1,-0.1 1,-0.1 2,-0.1 -0.359 49.5-125.7 -58.6 141.0 32.5 58.8 35.3 6 77 A K - 0 0 52 71,-0.4 73,-0.2 -3,-0.1 -1,-0.1 -0.441 24.6-158.0 -88.1 167.7 33.0 62.2 37.0 7 78 A R > - 0 0 131 -2,-0.1 3,-3.4 71,-0.1 4,-0.3 -0.988 32.2 -99.7-144.8 156.2 30.9 63.4 40.0 8 79 A P G > S+ 0 0 27 0, 0.0 3,-2.7 0, 0.0 -1,-0.1 0.823 117.8 59.7 -38.7 -49.9 29.9 66.7 41.7 9 80 A E G 3 S+ 0 0 112 1,-0.3 22,-0.1 3,-0.1 -3,-0.0 0.642 90.0 72.0 -61.1 -12.7 32.5 66.3 44.4 10 81 A D G < S+ 0 0 43 -3,-3.4 21,-2.1 21,-0.1 22,-0.5 0.632 100.2 61.5 -76.4 -9.5 35.1 66.3 41.7 11 82 A F E < -A 30 0A 13 -3,-2.7 2,-0.5 -4,-0.3 19,-0.2 -0.662 67.8-145.3-117.9 168.6 34.3 70.0 41.3 12 83 A K E -A 29 0A 137 17,-1.3 17,-2.3 -2,-0.2 2,-0.2 -0.949 32.1-148.8-128.5 101.1 34.3 73.3 43.1 13 84 A F E +A 28 0A 73 -2,-0.5 15,-0.3 15,-0.2 3,-0.1 -0.519 22.4 172.1 -77.2 145.3 31.3 75.1 41.8 14 85 A G E - 0 0 48 13,-3.4 -1,-0.1 1,-0.4 14,-0.1 -0.012 42.4 -1.5-121.8-131.6 31.5 78.9 41.6 15 86 A K E - 0 0 135 11,-0.1 12,-2.8 1,-0.1 2,-0.5 -0.279 65.8-115.4 -69.6 150.3 29.3 81.6 40.2 16 87 A I E -A 26 0A 89 10,-0.2 10,-0.3 1,-0.2 3,-0.1 -0.727 22.5-165.3 -81.3 121.8 26.1 80.9 38.3 17 88 A L E - 0 0 67 8,-2.2 2,-0.3 -2,-0.5 9,-0.2 0.828 65.7 -25.7 -79.9 -31.3 26.7 82.1 34.8 18 89 A G E -A 25 0A 32 7,-1.7 7,-2.6 -3,-0.1 2,-0.4 -0.974 52.1-133.5-174.4 161.0 23.0 81.9 34.0 19 90 A E E -A 24 0A 150 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.990 18.3-178.4-130.3 132.9 19.6 80.4 34.7 20 91 A G - 0 0 47 3,-3.8 -2,-0.0 -2,-0.4 0, 0.0 -0.618 46.0 -95.6-115.9 179.7 17.0 79.1 32.3 21 92 A S S S+ 0 0 95 -2,-0.2 3,-0.0 1,-0.2 -1,-0.0 0.898 124.3 24.4 -64.5 -38.2 13.5 77.7 33.0 22 93 A F S S+ 0 0 60 1,-0.1 21,-0.5 20,-0.1 2,-0.3 0.385 127.7 21.4-108.8 2.0 14.8 74.1 32.9 23 94 A S E - B 0 42A 23 19,-0.2 -3,-3.8 2,-0.0 2,-0.4 -0.982 53.3-139.2-160.6 173.4 18.5 74.5 33.8 24 95 A T E -AB 19 41A 41 17,-1.8 17,-3.3 -2,-0.3 2,-0.5 -0.994 15.9-147.6-140.5 130.0 21.3 76.5 35.4 25 96 A V E -AB 18 40A 40 -7,-2.6 -8,-2.2 -2,-0.4 -7,-1.7 -0.890 23.0-177.3-100.2 125.0 24.8 76.9 34.0 26 97 A V E -AB 16 39A 13 13,-2.6 13,-2.6 -2,-0.5 2,-0.4 -0.977 28.9-120.7-128.4 136.7 27.4 77.3 36.7 27 98 A L E + B 0 38A 17 -12,-2.8 -13,-3.4 -2,-0.4 2,-0.3 -0.597 39.6 179.5 -73.6 126.2 31.2 77.9 36.4 28 99 A A E -AB 13 37A 1 9,-2.8 9,-2.9 -2,-0.4 2,-0.5 -0.960 22.2-145.9-130.8 146.7 33.0 74.9 38.1 29 100 A R E -AB 12 36A 104 -17,-2.3 -17,-1.3 -2,-0.3 2,-0.6 -0.957 21.4-129.0-116.0 124.3 36.7 74.1 38.5 30 101 A E E >> -A 11 0A 11 5,-2.9 4,-3.0 -2,-0.5 3,-0.8 -0.587 14.1-149.6 -72.1 116.1 37.8 70.5 38.4 31 102 A L T 34 S+ 0 0 110 -21,-2.1 -1,-0.2 -2,-0.6 -20,-0.1 0.915 91.4 53.5 -51.7 -51.8 39.9 69.9 41.5 32 103 A A T 34 S+ 0 0 91 -22,-0.5 -1,-0.2 1,-0.2 -21,-0.1 0.759 128.5 15.5 -59.3 -26.5 42.1 67.2 40.0 33 104 A T T <4 S- 0 0 60 -3,-0.8 -2,-0.2 2,-0.2 -1,-0.2 0.512 89.2-125.3-127.5 -7.4 43.2 69.3 37.0 34 105 A S < + 0 0 77 -4,-3.0 2,-0.2 1,-0.3 -3,-0.1 0.500 58.0 152.5 72.3 1.7 42.3 73.0 37.7 35 106 A R - 0 0 149 -5,-0.4 -5,-2.9 -6,-0.1 2,-0.6 -0.456 40.8-137.7 -68.2 135.3 40.4 73.0 34.4 36 107 A E E +B 29 0A 56 -7,-0.2 54,-0.4 -2,-0.2 2,-0.3 -0.863 28.6 174.9 -99.9 122.0 37.5 75.5 34.4 37 108 A Y E -B 28 0A 16 -9,-2.9 -9,-2.8 -2,-0.6 2,-0.7 -0.821 34.4-126.7-121.8 161.9 34.3 74.2 32.8 38 109 A A E -BC 27 88A 8 50,-2.5 50,-2.3 -2,-0.3 2,-0.6 -0.936 32.1-160.2-106.6 108.4 30.7 75.6 32.4 39 110 A I E -BC 26 87A 0 -13,-2.6 -13,-2.6 -2,-0.7 2,-0.6 -0.818 5.7-150.0 -97.7 123.2 28.5 72.8 33.9 40 111 A K E -BC 25 86A 23 46,-2.2 46,-1.6 -2,-0.6 2,-0.5 -0.813 13.6-160.0 -93.6 119.5 24.9 72.9 32.8 41 112 A I E -BC 24 85A 25 -17,-3.3 -17,-1.8 -2,-0.6 2,-0.4 -0.885 10.3-177.9-106.8 122.0 22.6 71.5 35.6 42 113 A L E -BC 23 84A 5 42,-2.3 42,-2.9 -2,-0.5 2,-0.7 -0.960 25.3-129.8-118.9 134.6 19.1 70.2 34.8 43 114 A E E > - C 0 83A 107 -21,-0.5 4,-2.1 -2,-0.4 40,-0.2 -0.740 12.7-147.1 -86.5 116.9 16.8 68.9 37.4 44 115 A K H > S+ 0 0 50 38,-1.9 4,-2.7 -2,-0.7 5,-0.2 0.888 94.3 52.5 -49.3 -49.9 15.4 65.5 36.4 45 116 A R H > S+ 0 0 61 37,-0.5 4,-3.0 1,-0.2 5,-0.2 0.947 109.5 48.3 -56.4 -49.8 12.0 65.9 38.0 46 117 A H H > S+ 0 0 71 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.908 112.6 49.5 -57.7 -40.6 11.3 69.2 36.3 47 118 A I H <>S+ 0 0 6 -4,-2.1 5,-3.1 2,-0.2 6,-0.5 0.897 112.6 47.2 -64.3 -41.9 12.3 67.8 33.0 48 119 A I H ><5S+ 0 0 110 -4,-2.7 3,-1.6 -5,-0.2 -2,-0.2 0.947 111.0 50.6 -66.0 -49.9 10.1 64.8 33.4 49 120 A K H 3<5S+ 0 0 62 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.923 114.8 42.9 -55.6 -47.3 7.1 66.9 34.5 50 121 A E T 3<5S- 0 0 102 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.261 112.8-116.9 -87.4 17.1 7.3 69.2 31.6 51 122 A N T < 5 + 0 0 122 -3,-1.6 -3,-0.2 1,-0.1 4,-0.1 0.879 69.4 137.2 51.4 50.4 8.0 66.4 29.1 52 123 A K >>< + 0 0 58 -5,-3.1 4,-2.4 1,-0.2 3,-1.5 0.461 30.8 104.4-103.3 -3.2 11.5 67.6 28.1 53 124 A V H 3> S+ 0 0 71 -6,-0.5 4,-3.0 1,-0.3 5,-0.3 0.856 80.8 54.8 -46.0 -42.3 13.3 64.3 28.1 54 125 A P H 3> S+ 0 0 72 0, 0.0 4,-2.3 0, 0.0 -1,-0.3 0.866 111.1 46.8 -62.1 -32.1 13.3 64.3 24.3 55 126 A Y H <> S+ 0 0 43 -3,-1.5 4,-2.8 2,-0.2 -2,-0.2 0.914 114.0 43.9 -75.5 -46.6 14.9 67.7 24.4 56 127 A V H X S+ 0 0 17 -4,-2.4 4,-1.8 2,-0.2 5,-0.2 0.910 115.3 50.2 -66.0 -40.1 17.6 66.9 26.9 57 128 A T H X S+ 0 0 67 -4,-3.0 4,-2.8 -5,-0.3 3,-0.4 0.985 113.6 45.9 -59.2 -55.6 18.3 63.6 25.2 58 129 A R H X S+ 0 0 48 -4,-2.3 4,-2.6 -5,-0.3 5,-0.3 0.881 108.9 53.7 -53.4 -48.7 18.6 65.5 21.8 59 130 A E H X S+ 0 0 7 -4,-2.8 4,-1.9 95,-0.2 -1,-0.2 0.885 114.8 42.9 -54.3 -40.8 20.8 68.3 23.2 60 131 A R H X S+ 0 0 105 -4,-1.8 4,-1.4 -3,-0.4 -2,-0.2 0.904 113.9 49.4 -72.1 -44.6 23.2 65.6 24.5 61 132 A D H < S+ 0 0 92 -4,-2.8 4,-0.4 -5,-0.2 -2,-0.2 0.785 113.1 47.6 -69.2 -25.8 23.0 63.4 21.4 62 133 A V H >X S+ 0 0 1 -4,-2.6 3,-1.4 -5,-0.2 4,-0.7 0.945 110.2 49.6 -79.8 -49.7 23.7 66.4 19.1 63 134 A M H 3< S+ 0 0 4 -4,-1.9 11,-0.5 -5,-0.3 3,-0.4 0.775 105.0 58.5 -60.2 -27.2 26.6 67.9 21.0 64 135 A S T 3< S+ 0 0 79 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.720 104.1 53.8 -75.4 -18.5 28.3 64.5 21.2 65 136 A R T <4 S+ 0 0 114 -3,-1.4 2,-0.3 -4,-0.4 -1,-0.2 0.632 91.4 91.1 -88.1 -15.9 28.3 64.4 17.4 66 137 A L < + 0 0 17 -4,-0.7 8,-0.2 -3,-0.4 2,-0.0 -0.648 38.4 164.5 -88.3 136.6 30.0 67.8 17.0 67 138 A D + 0 0 131 -2,-0.3 -1,-0.1 6,-0.1 6,-0.1 -0.522 36.0 112.0-146.3 71.6 33.7 68.1 16.7 68 139 A H > - 0 0 50 3,-0.1 3,-1.7 4,-0.1 -2,-0.0 -0.996 69.3-118.2-149.0 139.2 34.6 71.5 15.3 69 140 A P T 3 S+ 0 0 51 0, 0.0 4,-0.1 0, 0.0 -1,-0.0 0.689 106.3 60.9 -50.5 -24.1 36.3 74.6 16.7 70 141 A F T 3 S+ 0 0 3 79,-0.1 80,-2.8 50,-0.1 2,-0.4 0.161 95.4 74.7 -94.0 24.0 33.2 76.9 16.3 71 142 A F B < S-e 150 0B 6 -3,-1.7 80,-0.2 78,-0.3 -3,-0.1 -0.985 88.3-105.6-135.2 143.7 31.0 74.9 18.6 72 143 A V - 0 0 5 78,-2.8 2,-0.3 -2,-0.4 -6,-0.1 -0.446 42.3-131.6 -63.9 136.7 30.9 74.5 22.4 73 144 A K - 0 0 104 -2,-0.1 16,-1.5 -4,-0.1 2,-0.8 -0.723 3.3-140.6 -96.2 141.6 32.3 71.1 23.2 74 145 A L E +D 88 0A 23 -11,-0.5 14,-0.2 -2,-0.3 3,-0.1 -0.897 21.7 178.5 -99.4 111.3 30.6 68.7 25.6 75 146 A Y E - 0 0 110 12,-3.0 2,-0.3 -2,-0.8 -1,-0.2 0.816 57.4 -25.9 -85.0 -31.5 33.4 67.1 27.6 76 147 A F E -D 87 0A 25 11,-1.0 11,-3.4 2,-0.0 2,-0.3 -0.995 47.4-144.7-171.7 168.5 31.3 64.9 29.8 77 148 A T E +D 86 0A 14 -2,-0.3 -71,-0.4 9,-0.2 2,-0.3 -0.961 22.0 152.4-142.8 157.7 28.1 64.1 31.5 78 149 A F E -D 85 0A 9 7,-1.4 7,-3.0 -2,-0.3 2,-0.3 -0.952 18.7-153.8-171.1 169.4 27.0 62.5 34.8 79 150 A Q E -D 84 0A 114 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.986 4.8-155.9-154.0 160.6 24.1 62.6 37.2 80 151 A D - 0 0 40 3,-1.8 5,-0.0 -2,-0.3 -2,-0.0 -0.390 57.1 -67.0-117.9-159.2 23.2 62.1 40.8 81 152 A D S S+ 0 0 151 -2,-0.2 3,-0.1 1,-0.2 -2,-0.0 0.750 129.9 19.0 -68.6 -20.6 19.9 61.3 42.3 82 153 A E S S+ 0 0 103 1,-0.1 -38,-1.9 -38,-0.1 -37,-0.5 0.738 116.0 46.8-123.0 -26.6 18.4 64.6 41.4 83 154 A K E -C 43 0A 81 -40,-0.2 -3,-1.8 -39,-0.1 2,-0.4 -0.798 56.3-136.4-125.8 165.4 20.3 66.4 38.6 84 155 A L E -CD 42 79A 26 -42,-2.9 -42,-2.3 -2,-0.3 2,-0.4 -0.937 23.4-157.1-113.7 134.5 21.9 66.0 35.2 85 156 A Y E -CD 41 78A 14 -7,-3.0 -7,-1.4 -2,-0.4 2,-0.5 -0.952 9.8-170.8-121.1 132.8 25.3 67.5 34.6 86 157 A F E -CD 40 77A 9 -46,-1.6 -46,-2.2 -2,-0.4 2,-0.8 -0.969 16.6-145.4-119.8 116.5 26.9 68.5 31.2 87 158 A G E +CD 39 76A 0 -11,-3.4 -12,-3.0 -2,-0.5 -11,-1.0 -0.724 30.9 178.2 -84.3 113.8 30.5 69.6 31.2 88 159 A L E -CD 38 74A 10 -50,-2.3 -50,-2.5 -2,-0.8 -14,-0.2 -0.753 36.7 -91.8-115.7 159.2 30.8 72.3 28.6 89 160 A S - 0 0 12 -16,-1.5 2,-0.8 -2,-0.3 -52,-0.1 -0.384 40.6-131.0 -61.4 146.7 33.6 74.5 27.2 90 161 A Y - 0 0 55 -54,-0.4 2,-1.0 -3,-0.0 -1,-0.1 -0.893 13.5-151.6-106.0 104.7 33.6 77.8 29.2 91 162 A A > - 0 0 10 -2,-0.8 3,-1.1 1,-0.2 51,-0.2 -0.691 7.2-160.1 -77.8 104.3 33.7 80.6 26.6 92 163 A K T 3 S+ 0 0 110 -2,-1.0 51,-0.2 1,-0.2 -1,-0.2 0.704 79.4 58.7 -60.3 -26.5 35.4 83.3 28.6 93 164 A N T 3 S- 0 0 52 49,-1.9 -1,-0.2 1,-0.3 50,-0.1 0.151 95.7-135.3 -96.7 22.8 34.3 86.3 26.5 94 165 A G < - 0 0 39 -3,-1.1 48,-1.9 48,-0.1 2,-0.3 -0.349 45.7 -28.6 70.2-143.2 30.5 85.9 26.8 95 166 A E B >> -F 141 0B 71 46,-0.3 4,-1.2 -2,-0.1 3,-0.7 -0.790 47.6-117.1-117.0 159.2 28.1 86.2 23.9 96 167 A L H 3> S+ 0 0 1 44,-2.1 4,-2.6 41,-1.0 42,-0.2 0.799 111.7 63.4 -61.9 -31.1 28.1 88.1 20.7 97 168 A L H 3> S+ 0 0 11 40,-1.3 4,-2.3 1,-0.2 -1,-0.2 0.889 97.6 56.9 -62.7 -37.6 25.1 90.1 21.7 98 169 A K H <> S+ 0 0 42 -3,-0.7 4,-3.3 39,-0.2 -1,-0.2 0.937 109.6 45.3 -58.9 -48.1 27.1 91.7 24.6 99 170 A Y H X>S+ 0 0 55 -4,-1.2 4,-3.3 2,-0.2 5,-0.7 0.931 107.8 55.8 -62.6 -45.8 29.6 92.9 22.1 100 171 A I H X5S+ 0 0 2 -4,-2.6 4,-1.3 1,-0.2 -1,-0.2 0.928 115.8 39.3 -53.0 -45.2 27.1 94.2 19.7 101 172 A R H <5S+ 0 0 173 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.964 115.5 53.1 -66.2 -53.8 25.6 96.3 22.5 102 173 A K H <5S+ 0 0 145 -4,-3.3 -2,-0.2 1,-0.2 -3,-0.2 0.893 125.7 21.8 -48.7 -52.6 29.0 97.2 23.9 103 174 A I H <5S- 0 0 86 -4,-3.3 2,-1.6 -5,-0.1 -1,-0.2 0.588 96.1-146.5 -97.0 -10.2 30.5 98.5 20.7 104 175 A G << + 0 0 30 -4,-1.3 2,-0.4 -5,-0.7 -1,-0.1 -0.475 69.1 21.6 87.1 -71.5 27.2 99.3 19.1 105 176 A S S S- 0 0 63 -2,-1.6 2,-0.2 -3,-0.1 93,-0.2 -0.991 73.7-132.0-141.4 126.9 27.7 98.6 15.4 106 177 A F - 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0 0 56 -2,-0.3 3,-1.5 -23,-0.0 4,-0.7 -0.771 60.6 -68.4-142.9-174.4 14.6 73.2 7.9 183 261 A K H >> S+ 0 0 79 1,-0.3 4,-1.6 -2,-0.2 3,-1.2 0.868 126.2 68.8 -50.4 -37.2 18.1 74.5 7.0 184 262 A S H 3> S+ 0 0 7 1,-0.3 4,-2.4 2,-0.2 -1,-0.3 0.835 89.7 60.3 -50.6 -41.9 16.4 77.5 5.6 185 263 A S H <> S+ 0 0 8 -3,-1.5 4,-1.9 1,-0.2 -1,-0.3 0.851 104.8 48.7 -60.6 -34.7 15.3 78.7 9.0 186 264 A D H S- 0 0 80 1,-0.1 4,-1.2 -3,-0.0 5,-0.1 -0.858 81.9 -94.0-144.3-177.3 5.1 92.5 21.1 209 287 A E H >> S+ 0 0 122 -2,-0.3 4,-2.9 1,-0.2 3,-0.6 0.944 118.1 56.8 -69.2 -44.0 5.6 89.2 19.5 210 288 A Y H 3> S+ 0 0 153 1,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.890 107.8 48.7 -54.3 -42.8 2.5 89.3 17.4 211 289 A L H 3> S+ 0 0 61 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.808 110.7 51.4 -67.4 -30.2 3.6 92.6 15.8 212 290 A I H X>S+ 0 0 57 -4,-1.6 5,-2.8 -3,-0.2 4,-0.8 0.915 108.5 57.4 -66.9 -43.6 6.4 92.2 10.1 216 294 A I H ><5S+ 0 0 0 -4,-2.4 3,-1.1 1,-0.2 -2,-0.2 0.939 107.6 45.2 -53.9 -52.5 8.2 89.0 9.3 217 295 A I H 3<5S+ 0 0 82 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.680 117.7 44.0 -70.6 -15.6 5.6 87.5 7.0 218 296 A K H <<5S- 0 0 131 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.424 110.0-126.3-102.3 -2.2 5.1 90.8 5.2 219 297 A L T <<5 + 0 0 57 -3,-1.1 2,-1.1 -4,-0.8 -3,-0.2 0.916 43.9 176.0 55.4 50.9 8.9 91.2 5.1 220 298 A E < + 0 0 95 -5,-2.8 2,-0.3 -6,-0.1 -1,-0.2 -0.649 27.7 94.7 -92.5 87.3 8.6 94.6 6.7 221 299 A Y - 0 0 37 -2,-1.1 2,-0.3 -3,-0.1 -17,-0.1 -0.953 46.4-154.7-157.6 171.1 12.0 96.1 7.4 222 300 A D - 0 0 124 -19,-0.3 -2,-0.0 -2,-0.3 0, 0.0 -0.991 19.6-110.0-153.3 159.3 14.5 98.4 5.8 223 301 A F - 0 0 27 -2,-0.3 -28,-0.0 1,-0.1 -2,-0.0 -0.631 34.4-109.0 -93.4 147.9 18.2 99.2 5.8 224 302 A P > - 0 0 63 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 -0.242 39.5-100.8 -66.0 164.3 19.9 102.3 7.3 225 303 A E T 3 S+ 0 0 114 1,-0.2 -2,-0.1 0, 0.0 0, 0.0 0.863 116.7 39.4 -55.8 -44.7 21.3 104.8 4.8 226 304 A K T 3 S+ 0 0 93 2,-0.0 2,-0.4 3,-0.0 -1,-0.2 -0.024 76.2 146.2-103.3 34.6 25.0 103.8 5.0 227 305 A F < - 0 0 12 -3,-1.2 5,-0.1 1,-0.1 -4,-0.0 -0.549 66.5 -96.1 -70.8 121.9 24.7 100.0 5.3 228 306 A F > - 0 0 44 -2,-0.4 4,-2.7 1,-0.2 5,-0.2 -0.154 35.8-137.2 -42.2 121.9 27.7 98.4 3.5 229 307 A P H > S+ 0 0 105 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.838 100.5 48.4 -55.1 -43.5 26.3 97.7 -0.0 230 308 A K H > S+ 0 0 101 2,-0.2 4,-2.2 1,-0.2 33,-0.3 0.896 112.9 49.8 -70.6 -33.3 27.7 94.2 -0.4 231 309 A A H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.953 110.3 50.4 -65.9 -47.2 26.4 93.3 3.0 232 310 A R H X S+ 0 0 103 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.936 109.1 51.0 -54.6 -48.7 23.0 94.7 2.1 233 311 A D H X S+ 0 0 57 -4,-2.5 4,-0.9 1,-0.2 -1,-0.2 0.939 110.4 49.8 -55.9 -47.5 22.9 92.7 -1.0 234 312 A L H >X S+ 0 0 0 -4,-2.2 3,-1.5 1,-0.2 4,-0.5 0.944 110.3 49.0 -55.0 -53.7 23.8 89.5 0.9 235 313 A V H >X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.3 3,-1.0 0.841 106.3 58.3 -56.0 -35.2 21.1 90.1 3.5 236 314 A E H 3< S+ 0 0 81 -4,-2.4 -1,-0.3 -5,-0.3 -2,-0.2 0.755 105.3 49.9 -69.8 -19.3 18.6 90.6 0.7 237 315 A K H << S+ 0 0 93 -3,-1.5 10,-2.0 -4,-0.9 -1,-0.3 0.481 115.9 41.3 -96.0 -4.6 19.4 87.2 -0.6 238 316 A L H << S+ 0 0 0 -3,-1.0 2,-2.0 -4,-0.5 -2,-0.2 0.776 103.4 64.1-105.5 -44.7 19.0 85.5 2.8 239 317 A L S < S+ 0 0 4 -4,-2.8 2,-0.4 -5,-0.1 -1,-0.2 -0.561 73.4 138.5 -81.5 76.6 15.9 87.3 4.0 240 318 A V - 0 0 36 -2,-2.0 5,-0.2 -3,-0.2 6,-0.1 -0.990 53.7-142.0-124.2 126.4 13.7 85.9 1.2 241 319 A L S S+ 0 0 74 -2,-0.4 2,-1.2 1,-0.1 -67,-0.1 0.901 90.0 76.4 -56.8 -41.9 10.1 84.8 2.0 242 320 A D S > S- 0 0 91 1,-0.2 3,-2.4 3,-0.1 -1,-0.1 -0.583 73.9-159.3 -73.3 99.3 10.4 81.8 -0.4 243 321 A A G > S+ 0 0 20 -2,-1.2 3,-1.3 1,-0.3 -1,-0.2 0.828 85.5 62.0 -47.5 -41.9 12.6 79.5 1.7 244 322 A T G 3 S+ 0 0 76 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.419 99.1 57.6 -70.7 2.4 13.8 77.5 -1.3 245 323 A K G < S+ 0 0 34 -3,-2.4 2,-0.4 -5,-0.2 -1,-0.3 0.034 76.7 120.1-120.5 25.8 15.4 80.6 -2.8 246 324 A R S X S- 0 0 0 -3,-1.3 3,-2.7 -5,-0.1 6,-0.3 -0.791 73.8-104.7 -95.7 133.1 17.8 81.5 0.0 247 325 A L T 3 S+ 0 0 18 -10,-2.0 3,-0.1 -2,-0.4 8,-0.1 -0.272 109.6 31.3 -51.8 129.7 21.5 81.6 -0.6 248 326 A G T 3 S+ 0 0 5 6,-0.6 -1,-0.3 1,-0.4 7,-0.2 0.039 88.4 119.9 106.6 -24.8 22.9 78.5 1.0 249 327 A C S X >S- 0 0 4 -3,-2.7 5,-2.3 5,-0.2 3,-1.8 -0.436 74.8-118.4 -74.9 150.7 19.9 76.2 0.5 250 328 A E G > 5S+ 0 0 70 1,-0.3 3,-2.0 3,-0.3 -1,-0.1 0.848 117.0 61.7 -53.4 -36.4 20.4 73.1 -1.6 251 329 A E G 3 5S+ 0 0 117 1,-0.3 -1,-0.3 2,-0.1 -7,-0.1 0.785 107.2 43.9 -62.1 -28.1 17.9 74.5 -4.0 252 330 A M G < 5S- 0 0 74 -3,-1.8 -1,-0.3 -6,-0.3 -4,-0.2 0.183 131.8 -96.5-102.1 16.1 20.3 77.4 -4.5 253 331 A E T X 5 - 0 0 147 -3,-2.0 3,-0.6 -6,-0.1 -3,-0.3 0.714 60.7-102.5 77.5 24.6 23.2 74.9 -4.8 254 332 A G T 3>< - 0 0 16 -5,-2.3 4,-1.1 1,-0.2 -6,-0.6 -0.148 68.7 -22.7 74.2-157.9 24.4 75.1 -1.2 255 333 A Y H 3> S+ 0 0 24 -7,-0.2 4,-2.9 1,-0.2 5,-0.3 0.634 115.5 78.1 -72.2 -17.4 27.3 76.8 0.5 256 334 A G H <> S+ 0 0 52 -3,-0.6 4,-1.3 2,-0.2 -1,-0.2 0.986 101.4 37.3 -55.5 -61.6 29.4 77.2 -2.6 257 335 A P H > S+ 0 0 53 0, 0.0 4,-0.6 0, 0.0 3,-0.2 0.900 117.0 53.8 -55.9 -44.8 27.5 80.2 -3.9 258 336 A L H >< S+ 0 0 1 -4,-1.1 3,-1.4 1,-0.2 -2,-0.2 0.934 109.1 45.5 -59.2 -49.7 27.0 81.6 -0.5 259 337 A K H 3< S+ 0 0 44 -4,-2.9 -1,-0.2 1,-0.3 -3,-0.1 0.750 109.1 60.2 -67.1 -19.7 30.6 81.6 0.5 260 338 A A H 3< S+ 0 0 70 -4,-1.3 -1,-0.3 -5,-0.3 -2,-0.2 0.562 74.7 128.1 -83.6 -10.0 31.3 83.1 -3.0 261 339 A H S X< S- 0 0 9 -3,-1.4 3,-2.5 -4,-0.6 4,-0.1 -0.127 71.9-117.4 -49.3 140.2 29.2 86.2 -2.4 262 340 A P G > S+ 0 0 57 0, 0.0 3,-2.5 0, 0.0 4,-0.3 0.822 111.8 69.8 -49.7 -33.9 31.1 89.4 -3.1 263 341 A F G 3 S+ 0 0 0 -33,-0.3 3,-0.2 1,-0.3 -32,-0.1 0.825 102.6 44.5 -55.7 -29.0 30.8 90.5 0.5 264 342 A F G X S+ 0 0 3 -3,-2.5 3,-2.4 -6,-0.2 -1,-0.3 0.207 76.2 124.8-100.7 13.6 33.2 87.7 1.3 265 343 A E T < S+ 0 0 126 -3,-2.5 -1,-0.2 1,-0.3 -2,-0.1 0.876 78.2 40.3 -38.1 -58.6 35.7 88.4 -1.5 266 344 A S T 3 S+ 0 0 90 -4,-0.3 -1,-0.3 -3,-0.2 2,-0.2 0.472 91.8 114.5 -77.0 0.1 38.7 88.8 0.7 267 345 A V < - 0 0 23 -3,-2.4 2,-0.7 -8,-0.1 -3,-0.1 -0.493 53.4-154.0 -76.1 136.8 37.8 85.9 3.0 268 346 A T > - 0 0 70 -2,-0.2 3,-0.8 1,-0.1 -2,-0.1 -0.905 14.7-176.7-107.4 101.2 40.0 82.7 3.2 269 347 A W G > + 0 0 26 -2,-0.7 3,-0.9 1,-0.2 -1,-0.1 0.779 63.6 81.5 -71.1 -30.1 37.5 80.0 4.3 270 348 A E G 3 S+ 0 0 159 1,-0.2 -1,-0.2 2,-0.1 3,-0.0 0.613 112.1 9.8 -55.3 -12.8 39.9 77.1 4.6 271 349 A N G X> + 0 0 61 -3,-0.8 3,-1.5 2,-0.0 4,-0.6 -0.069 64.5 147.7-164.3 51.1 41.1 78.2 8.1 272 350 A L G X4 S+ 0 0 4 -3,-0.9 3,-1.4 1,-0.3 -2,-0.1 0.869 76.4 65.9 -58.8 -33.8 39.2 81.0 9.8 273 351 A H G 34 S+ 0 0 70 1,-0.3 -1,-0.3 -156,-0.1 -126,-0.1 0.759 102.0 48.2 -58.7 -27.2 39.9 79.3 13.1 274 352 A Q G <4 S+ 0 0 139 -3,-1.5 -1,-0.3 2,-0.1 -2,-0.2 0.513 93.2 92.3 -91.6 -10.3 43.6 80.1 12.6 275 353 A Q S << S- 0 0 59 -3,-1.4 -3,-0.0 -4,-0.6 0, 0.0 -0.431 83.7-107.8 -81.8 163.9 43.3 83.7 11.6 276 354 A T - 0 0 126 -2,-0.1 -2,-0.1 1,-0.0 -130,-0.1 -0.805 32.8-122.0 -92.1 125.2 43.5 86.5 14.1 277 355 A P - 0 0 19 0, 0.0 2,-0.2 0, 0.0 -167,-0.1 -0.397 34.6-104.3 -64.9 142.4 40.1 88.2 14.8 278 356 A P 0 0 38 0, 0.0 -165,-0.0 0, 0.0 0, 0.0 -0.495 360.0 360.0 -68.2 130.0 40.2 91.9 14.1 279 357 A K 0 0 145 -2,-0.2 -169,-0.0 -3,-0.1 -3,-0.0 -0.219 360.0 360.0 -77.0 360.0 40.4 93.8 17.3