==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 07-JUN-13 4L43 . COMPND 2 MOLECULE: RPS6KB1 PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.WANG,C.ZHONG,J.DING . 316 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15747.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 193 61.1 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 . 42 13.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 24 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 76 24.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.3 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 2 1 0 0 0 2 0 0 0 0 1 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 . 1 1 1 0 1 0 3 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 . 0 0 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 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 58 A R 0 0 279 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 21.3 -61.7 52.2 -22.8 2 59 A G - 0 0 55 1,-0.3 2,-0.2 0, 0.0 3,-0.1 0.545 360.0 -16.0 -76.6-134.8 -60.9 48.9 -24.5 3 60 A P S S- 0 0 130 0, 0.0 -1,-0.3 0, 0.0 2,-0.0 -0.511 82.6 -95.1 -74.9 144.6 -58.7 46.2 -23.1 4 61 A E - 0 0 62 -2,-0.2 29,-0.0 1,-0.1 0, 0.0 -0.313 26.1-140.5 -60.6 136.2 -56.4 47.0 -20.2 5 62 A K - 0 0 124 -3,-0.1 -1,-0.1 -2,-0.0 5,-0.0 0.851 21.5-151.5 -69.6 -36.8 -52.9 48.0 -21.3 6 63 A I + 0 0 11 1,-0.1 75,-0.1 76,-0.1 -2,-0.0 0.981 29.3 162.3 59.9 63.9 -51.1 46.2 -18.4 7 64 A R > - 0 0 130 75,-0.1 3,-2.0 1,-0.0 4,-0.1 -0.514 56.4 -89.6 -99.6 174.6 -47.9 48.2 -17.9 8 65 A P G > S+ 0 0 26 0, 0.0 3,-1.6 0, 0.0 76,-0.0 0.790 120.9 67.7 -59.3 -29.9 -45.6 48.2 -14.9 9 66 A E G 3 S+ 0 0 134 1,-0.3 22,-0.1 3,-0.0 -3,-0.0 0.469 81.9 77.7 -69.9 -1.9 -47.5 51.0 -13.2 10 67 A C G < S+ 0 0 0 -3,-2.0 21,-3.0 20,-0.1 22,-0.8 0.545 92.1 63.1 -77.6 -9.2 -50.5 48.6 -12.8 11 68 A F E < S-A 30 0A 10 -3,-1.6 2,-0.5 19,-0.3 19,-0.2 -0.915 70.2-144.6-124.8 144.0 -48.7 47.0 -9.8 12 69 A E E -A 29 0A 89 17,-2.8 17,-2.2 -2,-0.4 2,-0.4 -0.930 26.1-124.5-106.0 127.8 -47.5 48.2 -6.4 13 70 A L E +A 28 0A 30 -2,-0.5 15,-0.2 15,-0.2 3,-0.1 -0.575 35.1 168.5 -71.3 125.1 -44.3 46.8 -5.1 14 71 A L E - 0 0 23 13,-3.1 2,-0.3 -2,-0.4 284,-0.3 0.838 57.5 -27.6-101.9 -61.1 -44.8 45.2 -1.7 15 72 A R E -A 27 0A 91 12,-1.1 12,-3.6 282,-0.1 -1,-0.4 -0.992 59.6 -97.0-155.4 159.4 -41.6 43.3 -1.0 16 73 A V E -A 26 0A 24 282,-0.5 10,-0.3 -2,-0.3 3,-0.1 -0.558 26.8-177.7 -71.3 137.0 -38.7 41.4 -2.5 17 74 A L E S- 0 0 29 8,-3.3 2,-0.2 1,-0.5 9,-0.2 0.449 70.2 -21.2-111.3 -7.8 -39.2 37.6 -2.6 18 75 A G E -A 25 0A 17 7,-1.1 7,-2.9 274,-0.1 -1,-0.5 -0.732 56.7-140.0 166.4 142.0 -35.7 36.9 -4.1 19 76 A K E +A 24 0A 142 5,-0.2 5,-0.2 -2,-0.2 2,-0.2 -0.954 21.5 175.1-118.7 141.8 -32.9 38.6 -6.0 20 77 A G - 0 0 13 3,-3.0 141,-0.2 -2,-0.4 -2,-0.0 -0.695 44.2-100.5-126.6-176.5 -30.8 37.2 -8.8 21 78 A G S S+ 0 0 23 139,-0.2 140,-0.1 -2,-0.2 -1,-0.1 0.940 120.9 42.2 -70.0 -48.7 -28.1 38.3 -11.2 22 79 A Y S S- 0 0 31 138,-0.6 24,-2.3 1,-0.1 2,-0.3 0.686 129.2 -52.3 -77.0 -19.4 -30.4 38.8 -14.1 23 80 A G E - B 0 45A 10 22,-0.2 -3,-3.0 64,-0.0 2,-0.3 -0.972 58.2 -76.5 175.2-158.0 -33.2 40.4 -12.1 24 81 A K E -AB 19 44A 27 20,-1.6 20,-3.4 -2,-0.3 2,-0.5 -0.917 16.1-139.4-135.0 154.0 -35.6 40.3 -9.2 25 82 A V E -AB 18 43A 44 -7,-2.9 -8,-3.3 -2,-0.3 -7,-1.1 -0.976 28.6-176.0-111.8 121.9 -38.8 38.7 -7.9 26 83 A F E -AB 16 42A 0 16,-2.8 16,-3.1 -2,-0.5 2,-0.5 -0.824 29.3-125.5-111.2 155.4 -41.2 41.0 -6.1 27 84 A Q E -AB 15 41A 0 -12,-3.6 -13,-3.1 -2,-0.3 -12,-1.1 -0.893 43.5-175.6 -88.3 128.0 -44.5 40.5 -4.3 28 85 A V E -AB 13 40A 0 12,-3.0 12,-2.8 -2,-0.5 2,-0.5 -0.920 27.6-143.9-129.5 154.1 -46.9 42.9 -5.9 29 86 A R E -AB 12 39A 76 -17,-2.2 -17,-2.8 -2,-0.3 2,-0.4 -0.979 26.3-128.1-112.8 124.0 -50.5 44.1 -5.6 30 87 A K E -A 11 0A 0 8,-2.6 7,-3.4 -2,-0.5 -19,-0.3 -0.608 25.6-173.0 -70.6 125.5 -52.3 44.9 -8.8 31 88 A V + 0 0 62 -21,-3.0 2,-0.3 -2,-0.4 -20,-0.2 0.445 58.7 34.9-108.0 -2.7 -53.7 48.4 -8.2 32 89 A T S S- 0 0 67 -22,-0.8 3,-0.4 3,-0.0 2,-0.3 -0.993 95.6 -0.1-146.7 147.2 -55.9 49.0 -11.3 33 90 A G S > S+ 0 0 46 -2,-0.3 3,-1.1 1,-0.2 -3,-0.0 -0.600 104.8 9.0 100.1-138.1 -58.2 46.9 -13.6 34 91 A A T 3 S+ 0 0 75 -2,-0.3 -1,-0.2 1,-0.3 -4,-0.0 0.653 137.7 22.3 -69.0 -22.6 -59.4 43.3 -13.8 35 92 A N T > S+ 0 0 64 -3,-0.4 3,-3.0 3,-0.1 -5,-0.3 -0.083 79.8 179.6-135.1 37.2 -57.9 42.1 -10.5 36 93 A T T < S+ 0 0 87 -3,-1.1 -5,-0.2 1,-0.3 -3,-0.1 -0.178 74.8 14.6 -52.1 104.7 -57.5 45.4 -8.5 37 94 A G T 3 S+ 0 0 29 -7,-3.4 -1,-0.3 1,-0.4 2,-0.1 0.268 92.1 130.9 115.4 -7.9 -56.1 44.4 -5.2 38 95 A K < - 0 0 96 -3,-3.0 -8,-2.6 -8,-0.2 2,-0.4 -0.456 54.8-120.1 -81.3 152.4 -54.9 40.8 -5.9 39 96 A I E +B 29 0A 7 -10,-0.2 55,-0.8 -2,-0.1 2,-0.3 -0.774 36.7 164.8 -98.8 130.2 -51.4 39.6 -5.0 40 97 A F E -BC 28 93A 0 -12,-2.8 -12,-3.0 -2,-0.4 2,-0.5 -0.826 37.7-115.1-129.8 170.1 -48.9 38.4 -7.6 41 98 A A E -BC 27 92A 12 51,-2.6 51,-2.3 -2,-0.3 2,-0.6 -0.946 29.0-154.4-101.9 132.1 -45.2 37.7 -7.9 42 99 A M E -BC 26 91A 5 -16,-3.1 -16,-2.8 -2,-0.5 2,-0.6 -0.935 4.1-162.5-112.0 114.4 -43.5 39.9 -10.4 43 100 A K E -BC 25 90A 26 47,-3.1 47,-2.5 -2,-0.6 2,-0.5 -0.839 9.5-165.9 -95.0 123.6 -40.4 38.6 -12.0 44 101 A V E -BC 24 89A 9 -20,-3.4 -20,-1.6 -2,-0.6 2,-0.3 -0.944 4.2-171.2-119.2 117.6 -38.3 41.4 -13.6 45 102 A L E -BC 23 88A 6 43,-2.7 43,-2.7 -2,-0.5 2,-0.9 -0.814 25.2-124.7-109.3 145.8 -35.5 40.6 -16.0 46 103 A K E >> - C 0 87A 62 -24,-2.3 4,-1.4 -2,-0.3 3,-0.9 -0.784 18.2-163.4 -87.2 104.5 -32.9 42.9 -17.5 47 104 A K H 3> S+ 0 0 15 39,-2.0 4,-2.1 -2,-0.9 3,-0.5 0.887 82.6 64.4 -49.5 -47.5 -33.2 42.6 -21.3 48 105 A A H 34 S+ 0 0 71 38,-0.7 -1,-0.2 1,-0.3 4,-0.1 0.770 110.0 35.1 -55.8 -35.0 -29.8 44.2 -21.9 49 106 A M H <4 S+ 0 0 78 -3,-0.9 -1,-0.3 2,-0.1 -2,-0.2 0.666 110.5 61.7 -95.8 -18.5 -27.8 41.4 -20.2 50 107 A I H >< S+ 0 0 0 -4,-1.4 3,-1.7 -3,-0.5 7,-0.5 0.944 104.2 49.4 -65.3 -48.0 -30.0 38.5 -21.3 51 108 A V T 3< S+ 0 0 68 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.1 0.545 94.0 75.3 -73.8 -8.9 -29.3 39.1 -24.9 52 109 A R T 3 S+ 0 0 215 -5,-0.2 2,-0.4 -3,-0.2 -1,-0.3 0.568 101.5 45.6 -74.0 -10.3 -25.6 39.3 -24.2 53 110 A N <> - 0 0 70 -3,-1.7 4,-2.0 1,-0.1 5,-0.1 -0.998 68.4-151.5-141.3 132.8 -25.7 35.5 -23.9 54 111 A A H > S+ 0 0 84 -2,-0.4 4,-3.4 2,-0.2 5,-0.2 0.957 99.0 48.6 -66.3 -55.7 -27.4 32.9 -26.2 55 112 A K H > S+ 0 0 153 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.827 113.2 51.4 -55.5 -35.5 -28.1 30.2 -23.5 56 113 A D H > S+ 0 0 22 2,-0.2 4,-1.9 -6,-0.2 -1,-0.2 0.898 111.6 44.6 -67.8 -46.6 -29.6 32.9 -21.3 57 114 A T H X S+ 0 0 19 -4,-2.0 4,-2.7 -7,-0.5 5,-0.3 0.929 110.1 57.7 -61.5 -46.4 -31.9 34.2 -24.0 58 115 A A H X S+ 0 0 57 -4,-3.4 4,-2.4 1,-0.2 -2,-0.2 0.893 108.2 45.4 -50.0 -47.9 -32.8 30.6 -24.9 59 116 A H H X S+ 0 0 64 -4,-1.8 4,-2.8 2,-0.2 -1,-0.2 0.896 112.5 51.0 -66.0 -43.5 -34.0 30.0 -21.3 60 117 A T H X S+ 0 0 2 -4,-1.9 4,-2.6 2,-0.2 5,-0.2 0.982 114.3 42.3 -55.4 -62.6 -35.9 33.3 -21.1 61 118 A K H X S+ 0 0 58 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.887 114.0 52.7 -51.9 -46.2 -37.8 32.7 -24.4 62 119 A A H >X S+ 0 0 40 -4,-2.4 4,-3.7 -5,-0.3 3,-0.6 0.969 109.8 47.6 -57.3 -57.7 -38.4 29.0 -23.5 63 120 A E H 3X S+ 0 0 3 -4,-2.8 4,-3.1 94,-0.3 5,-0.3 0.938 108.8 53.8 -43.7 -58.7 -39.9 29.9 -20.2 64 121 A R H 3< S+ 0 0 13 -4,-2.6 4,-0.4 1,-0.2 -1,-0.3 0.834 115.7 41.4 -50.9 -35.5 -42.1 32.5 -21.8 65 122 A N H XX S+ 0 0 92 -4,-1.9 4,-2.5 -3,-0.6 3,-1.0 0.938 113.3 51.6 -76.6 -48.8 -43.3 29.8 -24.1 66 123 A I H 3X S+ 0 0 23 -4,-3.7 4,-3.5 1,-0.2 -2,-0.2 0.892 109.4 50.4 -51.9 -45.9 -43.6 27.0 -21.5 67 124 A L H 3< S+ 0 0 2 -4,-3.1 11,-0.6 1,-0.2 -1,-0.2 0.632 113.8 44.6 -78.3 -14.0 -45.7 29.2 -19.1 68 125 A E H <4 S+ 0 0 82 -3,-1.0 -1,-0.2 -4,-0.4 -2,-0.2 0.814 124.9 32.4 -87.3 -39.9 -48.1 30.1 -21.9 69 126 A E H < S+ 0 0 132 -4,-2.5 2,-0.7 1,-0.1 -2,-0.2 0.876 110.6 62.9 -88.1 -41.5 -48.4 26.6 -23.3 70 127 A V < + 0 0 2 -4,-3.5 2,-0.4 -5,-0.3 -1,-0.1 -0.802 57.7 168.9 -96.2 112.5 -48.0 24.3 -20.3 71 128 A K + 0 0 76 -2,-0.7 6,-0.1 6,-0.1 5,-0.1 -0.988 10.9 151.6-125.7 121.3 -50.8 24.7 -17.6 72 129 A H > - 0 0 18 -2,-0.4 3,-2.3 3,-0.4 53,-0.0 -0.994 53.9-115.3-151.7 142.1 -50.9 22.2 -14.8 73 130 A P T 3 S+ 0 0 37 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.798 117.9 45.0 -47.1 -36.1 -52.1 22.2 -11.2 74 131 A F T 3 S+ 0 0 0 47,-0.1 80,-2.4 79,-0.1 2,-0.4 0.097 101.8 80.5-102.3 20.6 -48.6 21.5 -9.9 75 132 A I B < S-f 154 0B 0 -3,-2.3 -3,-0.4 78,-0.3 80,-0.1 -0.996 91.3-100.7-126.6 133.6 -46.9 24.1 -12.2 76 133 A V - 0 0 4 78,-2.5 2,-0.6 -2,-0.4 -4,-0.1 -0.159 39.2-127.6 -47.6 135.8 -46.8 27.8 -11.4 77 134 A D - 0 0 40 -4,-0.1 16,-1.8 -6,-0.1 2,-0.3 -0.824 11.0-143.3 -98.0 122.6 -49.4 29.8 -13.4 78 135 A L E +D 92 0A 0 -11,-0.6 14,-0.2 -2,-0.6 3,-0.1 -0.666 21.8 174.1 -78.2 135.1 -48.3 32.8 -15.5 79 136 A I E + 0 0 27 12,-3.2 237,-3.0 1,-0.4 2,-0.3 0.789 62.0 6.1-109.8 -48.9 -50.9 35.5 -15.5 80 137 A Y E -DE 91 315A 15 11,-1.8 11,-3.5 235,-0.2 -1,-0.4 -0.960 53.2-173.0-133.6 155.2 -49.4 38.4 -17.4 81 138 A A E +DE 90 314A 3 233,-2.0 233,-1.9 -2,-0.3 2,-0.3 -0.975 21.9 145.3-140.6 137.3 -46.2 39.1 -19.3 82 139 A F E -D 89 0A 16 7,-2.6 7,-3.3 -2,-0.3 2,-0.3 -0.959 26.0-141.3-158.5 176.4 -45.1 42.4 -20.7 83 140 A Q E -D 88 0A 66 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.990 6.0-163.5-146.2 151.3 -42.0 44.5 -21.4 84 141 A T - 0 0 52 3,-2.4 5,-0.0 -2,-0.3 -2,-0.0 -0.436 55.9 -72.6-110.6-165.4 -40.6 48.0 -21.2 85 142 A G S S+ 0 0 67 1,-0.2 3,-0.0 -2,-0.2 -2,-0.0 0.931 127.2 9.5 -55.6 -52.2 -37.5 49.4 -23.0 86 143 A G S S+ 0 0 42 -39,-0.1 -39,-2.0 -40,-0.0 -38,-0.7 0.524 120.5 66.2-110.0 -8.8 -34.9 47.6 -20.8 87 144 A K E -C 46 0A 45 -41,-0.2 -3,-2.4 -40,-0.1 2,-0.4 -0.882 57.1-148.5-125.4 147.7 -36.9 45.2 -18.7 88 145 A L E -CD 45 83A 0 -43,-2.7 -43,-2.7 -2,-0.3 2,-0.5 -0.923 18.6-156.5-108.6 141.0 -39.1 42.1 -19.1 89 146 A Y E -CD 44 82A 18 -7,-3.3 -7,-2.6 -2,-0.4 2,-0.5 -0.973 11.9-177.1-125.6 124.8 -42.0 41.5 -16.7 90 147 A L E -CD 43 81A 2 -47,-2.5 -47,-3.1 -2,-0.5 2,-0.7 -0.987 10.4-159.6-118.0 127.3 -43.6 38.2 -15.8 91 148 A I E +CD 42 80A 0 -11,-3.5 -12,-3.2 -2,-0.5 -11,-1.8 -0.894 21.8 170.9-110.7 103.0 -46.6 38.2 -13.5 92 149 A L E -CD 41 78A 14 -51,-2.3 -51,-2.6 -2,-0.7 -14,-0.2 -0.612 43.3 -79.7-105.9 166.3 -47.1 34.8 -11.9 93 150 A E E -C 40 0A 36 -16,-1.8 2,-0.6 -53,-0.2 -53,-0.2 -0.435 48.5-115.3 -62.7 135.6 -49.4 33.6 -9.1 94 151 A Y - 0 0 20 -55,-0.8 2,-1.4 -2,-0.1 54,-0.2 -0.690 24.0-149.5 -76.3 117.0 -48.0 34.5 -5.7 95 152 A L > + 0 0 12 -2,-0.6 3,-2.1 1,-0.2 51,-0.3 -0.624 17.8 179.9 -93.9 79.4 -47.2 31.2 -4.0 96 153 A S T 3 + 0 0 21 -2,-1.4 195,-0.4 1,-0.3 51,-0.2 0.631 69.6 79.9 -54.1 -16.3 -47.8 32.0 -0.3 97 154 A G T 3 S- 0 0 1 49,-1.3 -1,-0.3 1,-0.1 50,-0.2 0.625 84.8-156.5 -70.3 -15.1 -46.9 28.4 0.6 98 155 A G < - 0 0 0 -3,-2.1 48,-1.7 48,-0.5 -1,-0.1 -0.079 42.3 -23.4 68.4-171.3 -43.1 29.1 0.3 99 156 A E B -G 145 0B 84 192,-0.6 3,-0.4 46,-0.2 4,-0.4 -0.461 51.9-143.6 -71.2 144.4 -40.5 26.4 -0.4 100 157 A L S >> S+ 0 0 0 44,-2.2 3,-1.7 41,-0.4 4,-0.6 0.908 98.9 56.0 -75.1 -43.2 -41.4 22.8 0.5 101 158 A F T 34 S+ 0 0 16 43,-0.4 4,-0.5 40,-0.4 -1,-0.2 0.422 90.2 75.7 -73.8 1.7 -37.9 21.8 1.7 102 159 A M T >> S+ 0 0 50 -3,-0.4 4,-0.8 2,-0.2 3,-0.6 0.798 93.2 52.9 -75.6 -32.6 -38.1 24.7 4.1 103 160 A Q H <> S+ 0 0 13 -3,-1.7 4,-2.4 -4,-0.4 5,-0.3 0.818 94.9 70.6 -65.7 -32.9 -40.4 22.5 6.1 104 161 A L H 3X S+ 0 0 10 -4,-0.6 4,-1.6 1,-0.2 -1,-0.2 0.818 94.9 54.9 -53.1 -33.7 -37.7 19.8 5.9 105 162 A E H <4 S+ 0 0 145 -3,-0.6 -1,-0.2 -4,-0.5 -2,-0.2 0.911 111.8 40.2 -70.2 -42.7 -35.7 21.9 8.3 106 163 A R H < S+ 0 0 152 -4,-0.8 -2,-0.2 -3,-0.3 -1,-0.2 0.731 122.1 43.3 -79.1 -22.0 -38.4 22.1 11.0 107 164 A E H < S- 0 0 93 -4,-2.4 2,-2.4 1,-0.1 -2,-0.2 0.689 89.8-153.5 -86.2 -23.7 -39.3 18.4 10.5 108 165 A G S < S+ 0 0 39 -4,-1.6 2,-0.3 -5,-0.3 -1,-0.1 -0.442 78.6 19.3 76.5 -61.9 -35.6 17.4 10.3 109 166 A I S S- 0 0 55 -2,-2.4 2,-0.4 -3,-0.1 88,-0.2 -0.985 80.4-124.1-136.4 144.8 -36.9 14.5 8.2 110 167 A F - 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0 0 28 -4,-1.1 2,-0.6 -5,-0.2 -3,-0.2 0.962 15.8-174.9 58.7 66.7 -22.8 6.2 -7.5 219 286 A K < - 0 0 136 -5,-0.8 2,-0.4 2,-0.0 -1,-0.2 -0.847 20.8-132.3-101.7 116.6 -22.7 4.5 -4.1 220 287 A L - 0 0 115 -2,-0.6 2,-0.7 1,-0.1 -17,-0.0 -0.498 17.7-170.2 -70.5 116.7 -26.0 3.8 -2.3 221 288 A N - 0 0 96 -2,-0.4 -1,-0.1 -19,-0.1 -2,-0.0 -0.746 12.9-176.1-107.5 82.2 -26.1 5.0 1.3 222 289 A L - 0 0 86 -2,-0.7 9,-0.0 2,-0.0 -2,-0.0 -0.695 17.4-144.2 -86.4 115.6 -29.3 3.4 2.6 223 290 A P > - 0 0 26 0, 0.0 3,-1.5 0, 0.0 -2,-0.0 -0.638 21.2-123.8 -74.7 138.1 -30.3 4.3 6.2 224 291 A P T 3 S+ 0 0 113 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.703 101.6 68.6 -55.1 -30.6 -32.0 1.3 8.0 225 292 A Y T 3 S+ 0 0 132 2,-0.0 2,-0.1 0, 0.0 -3,-0.0 0.669 75.1 104.7 -70.4 -18.2 -35.3 3.1 8.9 226 293 A L S < S- 0 0 7 -3,-1.5 -4,-0.0 1,-0.1 2,-0.0 -0.388 77.5-114.0 -62.4 138.1 -36.4 3.3 5.2 227 294 A T > - 0 0 58 1,-0.1 4,-2.1 -2,-0.1 5,-0.2 -0.279 27.7-103.0 -71.1 159.5 -39.1 0.8 4.3 228 295 A Q H > S+ 0 0 161 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.895 121.4 47.5 -44.0 -51.0 -38.5 -2.0 1.8 229 296 A E H > S+ 0 0 41 1,-0.2 4,-2.7 2,-0.2 32,-0.2 0.877 109.7 50.4 -64.8 -45.5 -40.4 -0.1 -1.0 230 297 A A H > S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.847 110.4 51.4 -63.3 -36.2 -38.7 3.2 -0.4 231 298 A R H X S+ 0 0 74 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.883 112.2 47.4 -64.9 -41.2 -35.3 1.5 -0.6 232 299 A D H X S+ 0 0 47 -4,-1.8 4,-0.8 -5,-0.2 -2,-0.2 0.925 111.5 48.3 -66.8 -48.0 -36.3 -0.2 -3.8 233 300 A L H X S+ 0 0 0 -4,-2.7 4,-1.7 1,-0.2 3,-0.3 0.869 110.9 51.5 -62.7 -39.9 -37.6 3.0 -5.5 234 301 A L H X S+ 0 0 12 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.887 109.9 47.7 -65.2 -41.0 -34.5 4.9 -4.6 235 302 A K H < S+ 0 0 104 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.630 115.1 48.9 -76.3 -11.7 -32.1 2.3 -6.1 236 303 A K H < S+ 0 0 60 -4,-0.8 10,-2.5 -3,-0.3 3,-0.3 0.669 115.9 40.6 -96.4 -24.5 -34.4 2.3 -9.2 237 304 A L H < S+ 0 0 1 -4,-1.7 -47,-0.2 8,-0.2 -2,-0.2 0.740 113.7 54.2 -89.8 -29.7 -34.4 6.1 -9.5 238 305 A L S < S+ 0 0 21 -4,-2.3 2,-0.3 -5,-0.2 -1,-0.2 -0.246 74.6 141.8-103.6 45.3 -30.8 6.6 -8.7 239 306 A K - 0 0 45 -3,-0.3 6,-0.1 1,-0.1 -3,-0.1 -0.678 49.1-143.1 -82.1 137.7 -29.3 4.2 -11.3 240 307 A R S S+ 0 0 86 -2,-0.3 2,-0.6 -22,-0.1 -67,-0.2 0.947 86.9 75.6 -63.0 -50.6 -26.0 5.3 -12.9 241 308 A N S >> S- 0 0 98 1,-0.2 4,-1.0 -3,-0.1 3,-0.9 -0.543 74.2-153.4 -69.4 111.4 -27.1 3.8 -16.3 242 309 A A T 34 S+ 0 0 21 -2,-0.6 3,-0.3 1,-0.3 -1,-0.2 0.803 92.1 52.7 -56.1 -36.7 -29.7 6.2 -17.8 243 310 A A T 34 S+ 0 0 83 1,-0.2 -1,-0.3 5,-0.0 5,-0.1 0.799 107.8 51.0 -71.5 -30.1 -31.4 3.5 -19.8 244 311 A S T <4 S+ 0 0 71 -3,-0.9 -1,-0.2 4,-0.1 -2,-0.2 0.636 88.0 110.6 -82.6 -16.6 -31.8 1.2 -16.8 245 312 A R S >< S- 0 0 3 -4,-1.0 3,-1.2 -3,-0.3 4,-0.4 -0.163 79.5-100.4 -60.0 149.7 -33.4 3.9 -14.7 246 313 A L T 3 S+ 0 0 28 -10,-2.5 -1,-0.1 1,-0.2 10,-0.1 -0.610 109.2 20.4 -77.6 129.2 -37.1 3.8 -13.8 247 314 A G T 3 S+ 0 0 0 -2,-0.4 -1,-0.2 -3,-0.1 5,-0.2 0.301 93.6 107.3 93.6 -6.9 -39.3 6.0 -15.9 248 315 A A < + 0 0 12 -3,-1.2 -65,-0.2 -65,-0.1 -2,-0.1 0.837 66.6 73.4 -69.2 -36.0 -36.6 6.0 -18.6 249 316 A G S > S- 0 0 23 -4,-0.4 3,-2.5 3,-0.1 6,-0.2 -0.202 113.1 -82.4 -71.0 169.8 -38.7 3.7 -20.8 250 317 A P T 3 S+ 0 0 135 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.597 123.5 75.3 -50.7 -16.0 -41.8 4.8 -22.7 251 318 A G T >> S+ 0 0 39 1,-0.2 3,-1.0 3,-0.1 4,-0.7 0.839 70.6 160.0 -64.7 -35.8 -43.8 4.3 -19.5 252 319 A D H <> - 0 0 18 -3,-2.5 4,-1.4 1,-0.3 -1,-0.2 -0.224 68.3 -0.1 52.8-122.9 -42.2 7.6 -18.1 253 320 A A H 3> S+ 0 0 8 1,-0.2 4,-3.5 2,-0.2 -1,-0.3 0.907 134.4 56.4 -65.4 -43.7 -44.3 9.0 -15.2 254 321 A G H <> S+ 0 0 41 -3,-1.0 4,-1.1 1,-0.2 -1,-0.2 0.870 105.3 53.5 -52.7 -40.2 -46.8 6.2 -15.3 255 322 A E H < S+ 0 0 66 -4,-0.7 -1,-0.2 2,-0.2 -2,-0.2 0.875 114.0 41.4 -63.2 -40.3 -43.9 3.8 -14.9 256 323 A V H >< S+ 0 0 0 -4,-1.4 3,-2.1 -3,-0.2 6,-0.2 0.949 112.6 53.2 -70.6 -50.2 -42.7 5.6 -11.8 257 324 A Q H 3< S+ 0 0 34 -4,-3.5 -2,-0.2 1,-0.3 -1,-0.2 0.649 99.0 65.9 -63.0 -17.3 -46.3 6.2 -10.4 258 325 A A T 3< S+ 0 0 79 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.591 75.8 114.8 -80.6 -12.5 -46.9 2.4 -10.7 259 326 A H S X S- 0 0 11 -3,-2.1 3,-2.3 -4,-0.2 -3,-0.0 -0.321 79.9-118.0 -62.3 139.6 -44.3 1.7 -8.0 260 327 A P G > S+ 0 0 71 0, 0.0 3,-2.6 0, 0.0 4,-0.2 0.772 109.5 74.4 -46.4 -33.6 -45.6 0.1 -4.8 261 328 A F G 3 S+ 0 0 10 1,-0.3 3,-0.3 -32,-0.2 -31,-0.1 0.813 102.2 41.0 -50.9 -33.8 -44.3 3.2 -2.9 262 329 A F G X S+ 0 0 5 -3,-2.3 3,-1.9 -6,-0.2 -1,-0.3 0.102 78.2 120.0-101.2 20.2 -47.3 5.1 -4.4 263 330 A R T < S+ 0 0 137 -3,-2.6 -1,-0.2 1,-0.3 -2,-0.1 0.699 75.9 50.5 -60.7 -19.5 -49.8 2.3 -3.9 264 331 A H T 3 S+ 0 0 151 -3,-0.3 2,-0.6 -4,-0.2 -1,-0.3 0.487 84.2 108.4 -97.5 -5.7 -51.9 4.5 -1.7 265 332 A I < - 0 0 28 -3,-1.9 2,-1.0 -8,-0.1 3,-0.1 -0.643 56.4-154.5 -80.4 116.4 -52.1 7.5 -4.1 266 333 A N > - 0 0 84 -2,-0.6 4,-2.8 1,-0.2 5,-0.1 -0.826 11.4-164.9 -82.7 104.4 -55.5 8.1 -5.7 267 334 A W H > S+ 0 0 53 -2,-1.0 4,-2.5 1,-0.2 5,-0.2 0.816 81.9 55.5 -67.9 -33.0 -54.2 9.9 -8.8 268 335 A E H > S+ 0 0 154 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.962 115.5 37.1 -59.9 -56.0 -57.6 11.2 -9.8 269 336 A E H 4>S+ 0 0 88 2,-0.2 5,-2.5 1,-0.2 6,-0.6 0.865 114.9 56.8 -66.6 -38.8 -58.2 12.9 -6.5 270 337 A L H ><5S+ 0 0 1 -4,-2.8 3,-1.8 1,-0.2 -2,-0.2 0.966 110.6 42.4 -56.6 -55.3 -54.5 13.9 -6.2 271 338 A L H 3<5S+ 0 0 63 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.854 110.6 56.2 -62.4 -36.7 -54.6 15.8 -9.5 272 339 A A T 3<5S- 0 0 47 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.503 113.0-125.4 -70.6 -3.0 -57.9 17.3 -8.6 273 340 A R T < 5S+ 0 0 76 -3,-1.8 -3,-0.2 -4,-0.3 -2,-0.1 0.889 73.3 127.6 55.3 46.3 -56.1 18.6 -5.5 274 341 A K < + 0 0 146 -5,-2.5 2,-0.4 -6,-0.1 -4,-0.2 0.667 41.7 94.6 -98.6 -25.9 -58.7 17.0 -3.1 275 342 A V S S- 0 0 54 -6,-0.6 0, 0.0 -9,-0.1 0, 0.0 -0.588 84.8-119.4 -71.1 120.7 -56.2 15.1 -1.0 276 343 A E - 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