==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE/RNA 05-JUN-06 2DR2 . COMPND 2 MOLECULE: TRANSFER RNA-TRP; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR N.SHEN,L.GUO,B.YANG,Y.JIN,J.DING . 374 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16731.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 273 73.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 5.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 13 3.5 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 . 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 . 19 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 153 40.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.9 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 3 2 2 2 3 0 1 0 0 0 2 0 0 0 0 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 0 0 PARALLEL BRIDGES PER LADDER . 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 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 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 97 A G 0 0 93 0, 0.0 2,-0.4 0, 0.0 299,-0.1 0.000 360.0 360.0 360.0-143.6 10.0 75.5 132.0 2 98 A I - 0 0 69 4,-0.0 2,-1.6 248,-0.0 3,-0.2 -0.889 360.0-115.1-116.9 145.2 11.6 77.0 129.0 3 99 A D > + 0 0 95 -2,-0.4 4,-1.6 1,-0.2 5,-0.1 -0.558 39.0 167.5 -75.3 82.9 10.4 77.1 125.3 4 100 A Y H > S+ 0 0 47 -2,-1.6 4,-3.0 2,-0.2 -1,-0.2 0.884 78.1 51.8 -67.4 -35.9 13.2 75.1 123.7 5 101 A D H > S+ 0 0 113 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.907 110.5 47.7 -65.6 -40.5 11.1 74.8 120.5 6 102 A K H > S+ 0 0 116 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.824 111.2 52.7 -69.3 -27.5 10.6 78.5 120.4 7 103 A L H X S+ 0 0 18 -4,-1.6 4,-2.9 2,-0.2 5,-0.4 0.934 107.3 51.8 -68.9 -47.4 14.4 78.8 121.1 8 104 A I H X>S+ 0 0 13 -4,-3.0 4,-2.8 1,-0.2 5,-0.8 0.955 113.9 42.6 -53.3 -54.8 15.0 76.5 118.1 9 105 A V H <5S+ 0 0 80 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.929 113.5 53.4 -60.9 -43.6 12.9 78.7 115.8 10 106 A R H <5S+ 0 0 202 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.966 116.3 36.4 -53.0 -62.3 14.3 81.9 117.3 11 107 A F H <5S- 0 0 49 -4,-2.9 -1,-0.2 -5,-0.1 -2,-0.2 0.841 108.7-120.7 -60.8 -40.1 18.0 80.9 116.7 12 108 A G T <5 + 0 0 53 -4,-2.8 -3,-0.2 -5,-0.4 -4,-0.1 0.449 66.2 131.1 109.2 2.3 17.3 79.2 113.4 13 109 A S < - 0 0 12 -5,-0.8 2,-0.4 -6,-0.3 32,-0.2 0.174 54.8-102.8 -71.8-162.8 18.6 75.7 114.3 14 110 A S E -A 44 0A 49 30,-2.2 30,-2.0 3,-0.0 2,-0.2 -0.975 21.9-116.2-133.1 144.2 16.8 72.4 113.8 15 111 A K E -A 43 0A 113 -2,-0.4 2,-0.9 28,-0.2 28,-0.2 -0.527 26.9-124.1 -78.0 138.3 14.9 70.1 116.1 16 112 A I + 0 0 12 26,-3.1 2,-0.1 -2,-0.2 -1,-0.1 -0.766 42.5 178.0 -84.0 107.8 16.4 66.6 116.6 17 113 A D > - 0 0 51 -2,-0.9 4,-2.2 1,-0.0 5,-0.2 -0.377 44.2 -88.8-101.1-175.9 13.5 64.4 115.5 18 114 A K H > S+ 0 0 117 1,-0.2 4,-3.5 2,-0.2 5,-0.3 0.876 122.6 58.1 -63.5 -39.9 13.1 60.6 115.3 19 115 A E H > S+ 0 0 120 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.919 109.8 46.2 -57.3 -41.5 14.4 60.3 111.8 20 116 A L H > S+ 0 0 4 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.935 112.7 48.1 -66.8 -48.0 17.6 62.0 112.9 21 117 A I H X S+ 0 0 15 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.942 113.0 48.9 -58.2 -46.4 18.0 59.8 116.0 22 118 A N H X S+ 0 0 47 -4,-3.5 4,-3.6 1,-0.2 5,-0.2 0.868 108.6 54.4 -61.4 -35.1 17.3 56.7 113.8 23 119 A R H X S+ 0 0 55 -4,-2.0 4,-2.4 -5,-0.3 -1,-0.2 0.946 106.5 50.8 -62.4 -47.0 19.9 58.0 111.3 24 120 A I H X S+ 0 0 0 -4,-2.6 4,-1.2 2,-0.2 6,-0.3 0.920 113.6 46.4 -56.6 -42.8 22.5 58.3 114.1 25 121 A E H >X>S+ 0 0 55 -4,-2.4 4,-2.1 1,-0.2 3,-1.5 0.983 112.2 47.8 -62.5 -57.2 21.6 54.7 115.0 26 122 A R H 3<5S+ 0 0 151 -4,-3.6 -1,-0.2 1,-0.3 -2,-0.2 0.776 114.4 50.6 -53.7 -27.7 21.7 53.4 111.5 27 123 A A H 3<5S+ 0 0 16 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.677 119.7 31.7 -87.1 -16.8 25.0 55.2 111.1 28 124 A T H <<5S- 0 0 19 -3,-1.5 -2,-0.2 -4,-1.2 -3,-0.2 0.457 91.2-130.8-120.2 -2.0 26.7 53.9 114.2 29 125 A G T <5S+ 0 0 71 -4,-2.1 2,-0.3 1,-0.2 -3,-0.1 0.778 78.2 100.8 56.5 25.5 25.2 50.4 114.6 30 126 A Q S > - 0 0 19 1,-0.1 4,-2.1 3,-0.1 3,-1.6 -0.011 29.7-114.2 -46.9 147.8 22.5 57.8 123.8 34 130 A H H 3> S+ 0 0 11 1,-0.3 4,-3.8 2,-0.2 6,-0.4 0.839 114.7 68.9 -59.8 -29.8 19.6 58.6 126.2 35 131 A F H 34>S+ 0 0 1 1,-0.2 6,-2.3 2,-0.2 5,-0.6 0.872 108.7 38.6 -55.6 -32.0 20.5 62.3 125.9 36 132 A L H X45S+ 0 0 4 -3,-1.6 3,-1.0 4,-0.2 -2,-0.2 0.921 117.5 47.9 -81.8 -46.5 19.2 61.9 122.4 37 133 A R H 3<5S+ 0 0 68 -4,-2.1 -2,-0.2 1,-0.2 -3,-0.2 0.894 117.6 42.2 -60.3 -42.1 16.3 59.6 123.2 38 134 A R T 3<5S- 0 0 45 -4,-3.8 -1,-0.2 -5,-0.2 -2,-0.2 0.346 114.6-107.5 -90.1 4.0 15.1 61.8 126.1 39 135 A G T < 5S+ 0 0 36 -3,-1.0 -3,-0.2 2,-0.3 -4,-0.1 0.442 80.8 125.3 89.5 -4.9 15.5 65.2 124.5 40 136 A I S > S+ 0 0 40 -2,-0.3 4,-2.0 191,-0.2 3,-1.0 0.620 78.9 144.9 66.4 18.3 23.8 70.3 109.8 47 143 A M H 3> + 0 0 0 191,-0.3 4,-2.9 1,-0.3 5,-0.1 0.849 69.8 57.2 -55.0 -35.0 23.9 67.0 111.6 48 144 A N H 3> S+ 0 0 63 1,-0.2 4,-3.2 2,-0.2 -1,-0.3 0.830 104.9 50.7 -65.4 -32.7 22.6 65.2 108.5 49 145 A Q H <> S+ 0 0 107 -3,-1.0 4,-3.0 2,-0.2 5,-0.3 0.887 109.3 50.9 -70.0 -39.7 25.5 66.5 106.5 50 146 A V H X S+ 0 0 0 -4,-2.0 4,-3.3 2,-0.2 -2,-0.2 0.966 114.1 45.1 -59.2 -48.8 27.8 65.2 109.2 51 147 A L H X S+ 0 0 0 -4,-2.9 4,-3.6 2,-0.2 5,-0.3 0.914 112.0 51.0 -60.9 -46.6 26.0 61.9 108.9 52 148 A D H X S+ 0 0 88 -4,-3.2 4,-1.4 2,-0.2 -2,-0.2 0.964 114.3 43.9 -56.3 -53.7 26.1 62.0 105.1 53 149 A A H ><>S+ 0 0 17 -4,-3.0 5,-2.2 2,-0.2 3,-0.5 0.947 116.0 48.4 -55.9 -50.4 29.8 62.6 105.1 54 150 A Y H ><5S+ 0 0 63 -4,-3.3 3,-1.9 -5,-0.3 -2,-0.2 0.958 110.1 49.2 -57.2 -54.8 30.4 60.0 107.8 55 151 A E H 3<5S+ 0 0 89 -4,-3.6 -1,-0.3 1,-0.3 -2,-0.2 0.760 110.0 56.0 -58.0 -19.8 28.3 57.3 106.1 56 152 A N T <<5S- 0 0 108 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 -0.019 122.2-104.2-103.0 29.1 30.3 58.2 103.0 57 153 A K T < 5S+ 0 0 187 -3,-1.9 -3,-0.2 1,-0.2 -2,-0.1 0.808 75.1 138.6 55.3 37.1 33.7 57.6 104.6 58 154 A K < - 0 0 115 -5,-2.2 -1,-0.2 -8,-0.2 -2,-0.1 -0.899 53.1-110.2-110.0 140.5 34.6 61.3 104.9 59 155 A P + 0 0 61 0, 0.0 149,-1.1 0, 0.0 2,-0.3 -0.274 35.6 171.2 -71.7 153.9 36.3 62.5 108.2 60 156 A F E -c 208 0A 4 147,-0.2 2,-0.3 -7,-0.0 149,-0.2 -0.971 14.2-153.6-154.6 145.8 34.8 64.7 110.9 61 157 A Y E -c 209 0A 0 147,-2.3 149,-2.6 -2,-0.3 2,-0.3 -0.905 17.1-119.0-124.0 157.0 36.1 65.6 114.3 62 158 A L E -cd 210 95A 0 32,-2.7 34,-2.3 -2,-0.3 2,-0.4 -0.687 24.6-173.8 -93.9 146.9 34.4 66.6 117.5 63 159 A Y E + d 0 96A 0 147,-1.9 2,-0.3 -2,-0.3 34,-0.2 -0.989 17.4 145.7-141.9 126.9 35.0 70.0 119.1 64 160 A T E - d 0 97A 0 32,-1.9 34,-1.9 -2,-0.4 2,-0.3 -0.940 22.5-158.4-152.3 165.8 33.7 71.0 122.5 65 161 A G E - d 0 98A 4 -2,-0.3 2,-0.3 147,-0.3 34,-0.2 -0.891 13.5-142.8-147.9 179.6 35.0 73.1 125.3 66 162 A R E - d 0 99A 8 32,-3.0 34,-2.1 -2,-0.3 35,-0.1 -0.992 16.2-138.5-148.7 134.0 35.0 74.2 128.9 67 163 A G - 0 0 1 -2,-0.3 2,-2.6 32,-0.2 3,-0.3 -0.870 21.6-140.2 -96.5 111.0 35.4 77.5 130.6 68 164 A P + 0 0 0 0, 0.0 51,-0.2 0, 0.0 50,-0.2 -0.373 40.8 156.3 -71.8 67.7 37.7 77.0 133.6 69 165 A S - 0 0 39 -2,-2.6 2,-0.3 1,-0.1 4,-0.1 0.844 67.9 -27.0 -62.0 -37.3 35.8 79.3 136.0 70 166 A S - 0 0 26 -3,-0.3 -1,-0.1 2,-0.2 52,-0.1 -0.951 66.2 -90.4-163.6-178.4 37.1 77.5 139.0 71 167 A E S S+ 0 0 109 -2,-0.3 2,-0.5 -3,-0.1 -2,-0.0 0.663 100.2 92.9 -78.4 -15.3 38.4 74.2 140.3 72 168 A A + 0 0 28 184,-0.0 2,-0.4 192,-0.0 -2,-0.2 -0.685 52.8 176.4 -86.4 121.1 34.8 73.4 141.2 73 169 A M - 0 0 4 -2,-0.5 192,-3.3 -4,-0.1 193,-0.3 -0.986 12.3-154.4-125.9 130.3 32.8 71.5 138.6 74 170 A H B >> -G 264 0B 9 -2,-0.4 3,-2.5 190,-0.3 4,-0.7 -0.635 36.2 -95.7-103.7 163.8 29.3 70.3 139.2 75 171 A V H 3> S+ 0 0 2 188,-3.4 4,-0.5 1,-0.3 3,-0.2 0.679 120.2 62.3 -43.4 -27.3 27.3 67.4 137.7 76 172 A G H 34 S+ 0 0 11 187,-0.2 3,-0.4 1,-0.2 -1,-0.3 0.748 93.5 59.4 -77.5 -24.9 25.8 69.8 135.1 77 173 A H H <4 S+ 0 0 42 -3,-2.5 4,-0.5 1,-0.2 -1,-0.2 0.746 98.8 63.2 -71.5 -27.0 29.2 70.7 133.5 78 174 A L H >X S+ 0 0 8 -4,-0.7 4,-3.7 -3,-0.2 3,-0.6 0.769 78.6 84.1 -71.0 -28.0 29.6 67.0 132.7 79 175 A I H 3X S+ 0 0 5 -4,-0.5 4,-2.8 -3,-0.4 5,-0.2 0.896 92.7 43.1 -45.7 -57.3 26.6 66.6 130.3 80 176 A P H 3> S+ 0 0 21 0, 0.0 4,-2.6 0, 0.0 -1,-0.3 0.844 118.9 46.3 -61.9 -28.7 28.2 67.8 127.1 81 177 A F H <> S+ 0 0 2 -3,-0.6 4,-3.0 -4,-0.5 5,-0.3 0.900 109.4 52.4 -79.3 -40.1 31.3 65.8 127.9 82 178 A I H X S+ 0 0 45 -4,-3.7 4,-1.8 1,-0.2 -3,-0.2 0.952 115.9 43.5 -58.1 -45.0 29.4 62.7 128.9 83 179 A F H X S+ 0 0 0 -4,-2.8 4,-2.8 -5,-0.3 -2,-0.2 0.947 113.5 49.0 -66.0 -48.7 27.7 63.1 125.5 84 180 A T H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.869 108.0 54.7 -60.3 -36.0 30.8 63.9 123.6 85 181 A K H X S+ 0 0 45 -4,-3.0 4,-2.2 2,-0.2 -1,-0.2 0.948 110.2 47.2 -63.0 -42.5 32.6 60.9 125.1 86 182 A W H X S+ 0 0 33 -4,-1.8 4,-2.9 -5,-0.3 5,-0.3 0.954 110.0 52.7 -59.9 -50.8 29.8 58.8 123.8 87 183 A L H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 5,-0.4 0.838 108.3 51.5 -53.6 -38.5 29.9 60.4 120.4 88 184 A Q H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 5,-0.4 0.923 113.2 43.4 -68.0 -44.1 33.6 59.6 120.2 89 185 A D H < S+ 0 0 77 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.1 0.989 117.8 44.9 -61.3 -59.5 33.1 56.0 121.0 90 186 A V H < S+ 0 0 8 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.760 128.0 26.3 -57.1 -33.4 30.2 55.6 118.7 91 187 A F H < S- 0 0 2 -4,-2.1 -1,-0.2 -5,-0.3 -3,-0.2 0.635 93.5-140.0-105.7 -18.9 31.6 57.4 115.7 92 188 A N < + 0 0 67 -4,-2.1 -3,-0.2 -5,-0.4 -4,-0.1 0.944 48.9 145.0 59.5 51.7 35.3 56.8 116.5 93 189 A V - 0 0 8 -5,-0.4 -1,-0.2 -6,-0.2 -32,-0.2 -0.747 54.5 -97.2-114.6 162.0 36.4 60.3 115.5 94 190 A P - 0 0 7 0, 0.0 -32,-2.7 0, 0.0 2,-0.4 -0.492 39.6-147.9 -78.2 156.6 39.2 62.4 117.0 95 191 A L E -de 62 136A 0 40,-3.4 42,-2.4 -34,-0.2 2,-0.4 -0.941 11.4-159.7-127.5 147.7 38.1 65.1 119.5 96 192 A V E -de 63 137A 0 -34,-2.3 -32,-1.9 -2,-0.4 2,-0.5 -0.985 8.9-165.4-124.6 128.8 39.4 68.5 120.4 97 193 A I E -de 64 138A 0 40,-2.7 42,-3.1 -2,-0.4 2,-0.5 -0.963 7.4-152.0-123.0 120.4 38.6 70.1 123.8 98 194 A Q E -de 65 139A 0 -34,-1.9 -32,-3.0 -2,-0.5 2,-0.8 -0.774 5.2-161.3 -95.2 126.4 39.2 73.8 124.5 99 195 A M E -de 66 140A 0 40,-3.1 42,-2.4 -2,-0.5 2,-1.8 -0.924 10.7-156.2-104.8 106.3 39.9 75.1 127.9 100 196 A T >> + 0 0 0 -34,-2.1 4,-2.0 -2,-0.8 3,-0.9 -0.326 38.1 147.6 -81.7 55.6 39.1 78.8 127.6 101 197 A D H 3> S+ 0 0 0 -2,-1.8 4,-1.6 1,-0.3 -1,-0.2 0.784 72.6 55.6 -62.0 -25.8 41.3 79.8 130.5 102 198 A D H 3> S+ 0 0 22 -3,-0.3 4,-1.9 2,-0.2 -1,-0.3 0.776 104.4 52.9 -78.0 -24.1 42.0 83.1 128.7 103 199 A E H <> S+ 0 0 11 -3,-0.9 4,-2.4 2,-0.2 -2,-0.2 0.923 110.2 46.4 -74.2 -45.2 38.3 83.8 128.5 104 200 A K H X S+ 0 0 26 -4,-2.0 4,-3.5 2,-0.2 6,-0.3 0.885 110.0 55.7 -63.7 -36.9 37.8 83.3 132.3 105 201 A Y H <>S+ 0 0 101 -4,-1.6 5,-0.5 -5,-0.2 -1,-0.2 0.960 111.4 42.8 -58.5 -50.1 40.9 85.5 132.7 106 202 A L H <5S+ 0 0 50 -4,-1.9 -2,-0.2 1,-0.1 -1,-0.2 0.838 127.5 32.1 -64.4 -33.9 39.2 88.2 130.7 107 203 A W H <5S+ 0 0 75 -4,-2.4 -2,-0.2 -5,-0.1 -3,-0.2 0.891 112.4 51.7 -95.1 -45.3 35.9 87.7 132.5 108 204 A K T <5S- 0 0 93 -4,-3.5 2,-1.9 -5,-0.2 7,-0.0 -0.380 94.4 -99.3 -87.3 170.9 36.4 86.6 136.1 109 205 A D T 5S+ 0 0 163 -2,-0.1 2,-0.3 2,-0.0 -4,-0.1 -0.571 80.6 134.5 -88.3 71.8 38.6 88.3 138.6 110 206 A L < - 0 0 25 -2,-1.9 2,-0.3 -5,-0.5 -41,-0.0 -0.835 53.9-128.4-123.3 161.3 41.3 85.7 137.9 111 207 A T > - 0 0 73 -2,-0.3 4,-3.3 1,-0.1 5,-0.3 -0.773 32.4-110.3-105.8 151.0 45.0 85.7 137.3 112 208 A L H > S+ 0 0 77 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.862 120.2 49.5 -47.7 -38.4 46.6 84.0 134.3 113 209 A D H > S+ 0 0 128 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.955 112.6 44.9 -67.8 -48.5 48.1 81.4 136.7 114 210 A Q H > S+ 0 0 77 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.949 114.6 50.3 -57.0 -50.7 44.8 80.7 138.4 115 211 A A H X S+ 0 0 0 -4,-3.3 4,-2.0 1,-0.2 -2,-0.2 0.960 113.6 44.3 -50.5 -59.6 43.0 80.6 135.1 116 212 A Y H X S+ 0 0 69 -4,-2.8 4,-2.7 -5,-0.3 -1,-0.2 0.882 112.4 52.1 -53.9 -44.6 45.6 78.1 133.7 117 213 A S H X S+ 0 0 45 -4,-3.0 4,-2.8 1,-0.2 -1,-0.2 0.912 108.3 51.3 -60.7 -42.8 45.6 76.0 136.8 118 214 A Y H X S+ 0 0 43 -4,-2.9 4,-3.0 2,-0.2 5,-0.2 0.859 108.5 52.4 -62.2 -37.4 41.8 75.8 136.7 119 215 A A H X S+ 0 0 0 -4,-2.0 4,-2.4 -5,-0.2 -2,-0.2 0.987 112.7 44.2 -60.8 -55.2 42.0 74.7 133.1 120 216 A V H X S+ 0 0 30 -4,-2.7 4,-0.6 1,-0.2 -2,-0.2 0.849 114.9 49.2 -58.4 -38.0 44.5 72.0 134.0 121 217 A E H >X S+ 0 0 39 -4,-2.8 3,-1.5 1,-0.2 4,-0.9 0.954 110.5 48.5 -68.2 -47.9 42.4 70.9 137.0 122 218 A N H 3X S+ 0 0 0 -4,-3.0 4,-2.7 1,-0.3 3,-0.4 0.862 99.6 69.2 -59.2 -35.4 39.2 70.7 135.1 123 219 A A H 3X S+ 0 0 0 -4,-2.4 4,-3.2 1,-0.2 -1,-0.3 0.812 93.6 58.9 -52.2 -32.1 41.0 68.7 132.5 124 220 A K H < S+ 0 0 0 -4,-2.7 3,-2.1 1,-0.2 5,-0.4 0.979 113.1 45.4 -62.5 -53.2 37.0 65.9 131.7 127 223 A I H >X S+ 0 0 13 -4,-3.2 3,-2.6 1,-0.3 4,-0.7 0.892 102.9 66.3 -55.1 -41.1 39.6 63.2 131.2 128 224 A A H 3< S+ 0 0 6 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.699 83.8 76.3 -55.9 -17.5 37.9 61.2 134.0 129 225 A C T << S- 0 0 18 -3,-2.1 -1,-0.3 -4,-0.5 -2,-0.2 0.561 118.2-103.4 -72.8 -6.0 34.9 60.9 131.6 130 226 A G T <4 + 0 0 36 -3,-2.6 -2,-0.2 1,-0.2 -3,-0.1 0.766 56.9 169.2 94.5 26.3 36.8 58.3 129.7 131 227 A F < - 0 0 12 -4,-0.7 2,-0.7 -5,-0.4 -1,-0.2 -0.385 44.9 -99.4 -69.9 152.3 38.0 60.1 126.6 132 228 A D >> - 0 0 41 1,-0.2 3,-2.6 -47,-0.1 4,-0.9 -0.640 20.3-149.1 -78.1 112.7 40.5 58.2 124.5 133 229 A I T 34 S+ 0 0 41 -2,-0.7 3,-0.4 1,-0.3 -1,-0.2 0.823 98.7 54.1 -46.1 -34.9 44.1 59.3 125.2 134 230 A N T 34 S+ 0 0 88 1,-0.2 237,-1.1 236,-0.1 -1,-0.3 0.550 117.7 29.2 -81.5 -11.5 44.8 58.4 121.5 135 231 A K T <4 S+ 0 0 20 -3,-2.6 -40,-3.4 235,-0.2 2,-0.4 0.212 103.8 73.9-137.5 23.1 42.1 60.5 119.9 136 232 A T E < -e 95 0A 0 -4,-0.9 2,-0.5 -3,-0.4 -40,-0.2 -0.998 51.8-163.5-139.3 133.9 41.4 63.5 122.0 137 233 A F E -e 96 0A 2 -42,-2.4 -40,-2.7 -2,-0.4 2,-0.5 -0.947 6.0-166.7-118.0 106.3 43.5 66.6 122.5 138 234 A I E +e 97 0A 0 226,-0.7 2,-0.3 -2,-0.5 -40,-0.2 -0.812 20.4 174.8 -90.3 132.5 42.5 68.8 125.6 139 235 A F E -e 98 0A 3 -42,-3.1 -40,-3.1 -2,-0.5 2,-0.4 -0.997 30.1-135.1-144.4 146.2 44.2 72.2 125.3 140 236 A S E > -e 99 0A 2 -2,-0.3 4,-2.5 -42,-0.2 5,-0.3 -0.784 20.2-134.4 -95.9 142.2 44.2 75.5 127.2 141 237 A D H > S+ 0 0 0 -42,-2.4 4,-2.1 -2,-0.4 5,-0.3 0.931 106.1 57.7 -59.8 -46.2 44.0 78.7 125.1 142 238 A L H > S+ 0 0 56 -43,-0.3 4,-0.5 2,-0.2 -1,-0.2 0.868 117.4 32.8 -52.8 -39.7 46.8 80.2 127.1 143 239 A D H >4 S+ 0 0 54 -3,-0.2 3,-0.7 2,-0.1 4,-0.3 0.965 118.0 47.7 -80.0 -63.0 49.1 77.3 126.2 144 240 A Y H >< S+ 0 0 3 -4,-2.5 3,-2.0 1,-0.2 -3,-0.2 0.822 102.5 63.0 -52.6 -38.6 48.1 76.2 122.7 145 241 A M H >< S+ 0 0 47 -4,-2.1 3,-0.9 -5,-0.3 7,-0.3 0.942 106.2 46.6 -54.1 -46.4 48.1 79.7 121.3 146 242 A G T << S+ 0 0 73 -3,-0.7 -1,-0.3 -4,-0.5 -2,-0.2 0.413 117.9 42.7 -77.6 3.5 51.8 80.0 122.0 147 243 A M T < S+ 0 0 89 -3,-2.0 2,-0.3 -4,-0.3 -1,-0.2 -0.145 93.7 86.6-142.4 45.4 52.6 76.6 120.5 148 244 A S < - 0 0 23 -3,-0.9 4,-0.5 1,-0.1 49,-0.1 -0.981 52.0-157.7-149.0 133.8 50.6 76.3 117.4 149 245 A S S S+ 0 0 76 -2,-0.3 48,-0.1 1,-0.1 -1,-0.1 0.500 96.0 33.9 -86.4 -6.6 51.3 77.3 113.8 150 246 A G S > S+ 0 0 7 46,-0.3 4,-1.5 3,-0.1 47,-0.2 0.688 100.7 69.6-120.0 -27.8 47.7 77.3 112.7 151 247 A F H > S+ 0 0 0 45,-0.6 4,-2.4 2,-0.2 3,-0.5 0.954 102.8 41.9 -60.4 -56.9 45.5 78.4 115.6 152 248 A Y H > S+ 0 0 137 -4,-0.5 4,-3.0 -7,-0.3 5,-0.2 0.949 110.2 59.4 -59.2 -45.9 46.5 82.1 115.9 153 249 A K H > S+ 0 0 140 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.849 109.2 44.2 -50.6 -36.7 46.4 82.4 112.1 154 250 A N H X S+ 0 0 1 -4,-1.5 4,-3.8 -3,-0.5 5,-0.3 0.902 108.1 56.1 -76.0 -41.7 42.8 81.4 112.1 155 251 A V H X S+ 0 0 2 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.937 111.9 45.8 -54.2 -43.4 41.9 83.6 115.0 156 252 A V H X S+ 0 0 56 -4,-3.0 4,-1.8 2,-0.2 -1,-0.2 0.925 111.9 49.4 -66.7 -44.1 43.3 86.4 112.9 157 253 A K H X S+ 0 0 80 -4,-2.0 4,-0.5 -5,-0.2 3,-0.3 0.949 114.7 46.8 -57.6 -46.4 41.4 85.3 109.8 158 254 A I H >< S+ 0 0 0 -4,-3.8 3,-0.7 1,-0.2 -1,-0.2 0.866 110.3 52.6 -63.8 -36.6 38.3 85.1 111.9 159 255 A Q H >< S+ 0 0 65 -4,-2.3 3,-1.0 -5,-0.3 -1,-0.2 0.773 101.9 57.6 -73.1 -26.9 38.9 88.5 113.4 160 256 A K H 3< S+ 0 0 174 -4,-1.8 -1,-0.2 -3,-0.3 -2,-0.2 0.625 110.5 47.6 -77.2 -10.0 39.4 90.3 110.1 161 257 A H T << S+ 0 0 53 -3,-0.7 2,-0.4 -4,-0.5 -1,-0.2 0.137 99.0 71.4-117.9 20.2 35.9 89.1 109.2 162 258 A V < - 0 0 25 -3,-1.0 -1,-0.1 65,-0.0 2,-0.1 -0.946 67.6-153.3-137.3 115.0 33.9 90.0 112.4 163 259 A T > - 0 0 76 -2,-0.4 4,-1.6 1,-0.1 5,-0.2 -0.399 27.6-113.3 -83.4 163.7 33.2 93.6 113.1 164 260 A F H > S+ 0 0 66 1,-0.2 4,-3.4 2,-0.2 5,-0.2 0.918 117.3 58.4 -62.2 -43.8 32.6 95.0 116.5 165 261 A N H > S+ 0 0 106 1,-0.2 4,-3.2 2,-0.2 -1,-0.2 0.893 103.2 55.4 -53.0 -40.1 29.0 95.7 115.7 166 262 A Q H > S+ 0 0 52 2,-0.2 4,-3.9 1,-0.2 5,-0.2 0.960 113.1 37.8 -58.2 -54.8 28.5 92.0 114.9 167 263 A V H X>S+ 0 0 3 -4,-1.6 4,-4.2 2,-0.2 5,-1.2 0.895 113.4 57.9 -65.1 -36.7 29.8 90.9 118.3 168 264 A K H X5S+ 0 0 86 -4,-3.4 4,-1.2 4,-0.2 -1,-0.2 0.947 114.7 39.3 -55.4 -48.2 28.0 93.8 119.9 169 265 A G H <5S+ 0 0 65 -4,-3.2 -2,-0.2 -5,-0.2 -1,-0.2 0.962 121.9 40.4 -66.5 -53.0 24.9 92.4 118.3 170 266 A I H <5S+ 0 0 47 -4,-3.9 -2,-0.2 -5,-0.2 -3,-0.2 0.871 136.2 15.1 -67.0 -39.3 25.6 88.7 118.9 171 267 A F H <5S- 0 0 50 -4,-4.2 -3,-0.2 -5,-0.2 -2,-0.2 0.590 97.2-122.2-112.4 -15.6 27.0 89.0 122.4 172 268 A G << + 0 0 47 -4,-1.2 -4,-0.2 -5,-1.2 -3,-0.2 0.870 47.6 165.9 77.0 37.0 25.9 92.5 123.5 173 269 A F - 0 0 17 -6,-0.5 2,-0.3 -9,-0.2 -1,-0.1 -0.134 21.2-146.7 -71.5-179.0 29.4 93.9 124.2 174 270 A T > - 0 0 62 4,-0.1 3,-3.9 1,-0.0 8,-0.1 -0.982 31.2-101.4-150.7 154.0 29.7 97.6 124.6 175 271 A D T 3 S+ 0 0 145 1,-0.3 4,-0.1 -2,-0.3 -2,-0.0 0.685 121.7 66.7 -48.7 -17.6 32.4 100.3 123.8 176 272 A S T 3 S+ 0 0 115 2,-0.1 -1,-0.3 0, 0.0 2,-0.1 0.612 82.6 96.4 -81.5 -14.1 33.0 100.0 127.6 177 273 A D S < S- 0 0 47 -3,-3.9 2,-0.2 1,-0.1 -4,-0.0 -0.396 84.8-101.7 -76.9 153.9 34.3 96.4 127.2 178 274 A C >> - 0 0 62 1,-0.1 4,-2.0 -72,-0.1 3,-1.1 -0.494 27.9-117.9 -74.6 145.3 38.0 95.6 127.0 179 275 A I H 3> S+ 0 0 150 1,-0.3 4,-1.5 2,-0.2 -1,-0.1 0.669 112.9 69.1 -56.4 -14.7 39.3 94.8 123.6 180 276 A G H 3> S+ 0 0 23 2,-0.2 4,-0.7 1,-0.2 -1,-0.3 0.938 104.3 37.7 -69.2 -47.6 40.0 91.3 125.0 181 277 A K H X4 S+ 0 0 41 -3,-1.1 3,-0.5 2,-0.2 -2,-0.2 0.878 110.3 62.9 -69.8 -40.4 36.3 90.4 125.4 182 278 A I H 3< S+ 0 0 31 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.904 116.1 29.8 -52.4 -43.9 35.5 92.1 122.1 183 279 A S H >X S+ 0 0 47 -4,-1.5 3,-1.3 1,-0.2 4,-0.7 0.474 91.6 96.4 -99.4 0.5 37.7 89.7 120.2 184 280 A F H XX S+ 0 0 3 -4,-0.7 3,-1.4 -3,-0.5 4,-1.3 0.861 70.1 73.3 -57.8 -35.2 37.5 86.6 122.3 185 281 A P H 3> S+ 0 0 2 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.843 91.2 57.1 -48.4 -36.0 34.7 85.2 120.1 186 282 A A H <> S+ 0 0 5 -3,-1.3 4,-2.6 1,-0.2 -2,-0.2 0.852 100.4 58.1 -64.7 -33.3 37.3 84.4 117.4 187 283 A I H << S+ 0 0 14 -3,-1.4 -1,-0.2 -4,-0.7 -3,-0.1 0.884 109.6 43.5 -64.8 -36.0 39.3 82.3 119.9 188 284 A Q H < S+ 0 0 0 -4,-1.3 -1,-0.2 -3,-0.2 -2,-0.2 0.696 114.3 50.9 -82.8 -17.8 36.3 80.0 120.5 189 285 A A H >< S+ 0 0 0 -4,-1.2 3,-2.6 -5,-0.3 -2,-0.2 0.900 94.6 74.8 -81.3 -42.6 35.5 79.9 116.8 190 286 A A G >< S+ 0 0 0 -4,-2.6 3,-1.8 1,-0.3 6,-0.2 0.714 85.1 59.4 -42.3 -41.4 39.0 78.9 115.7 191 287 A P G 3 S+ 0 0 0 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.535 89.3 76.3 -74.7 4.6 39.0 75.3 116.8 192 288 A S G < S+ 0 0 3 -3,-2.6 2,-0.6 1,-0.2 -2,-0.2 0.540 86.5 70.7 -83.4 -8.1 36.1 74.8 114.5 193 289 A F S X S- 0 0 4 -3,-1.8 3,-2.2 -4,-0.2 4,-0.2 -0.915 79.3-145.2-117.1 107.5 38.6 74.9 111.7 194 290 A S G > S+ 0 0 2 -2,-0.6 3,-2.5 13,-0.5 7,-0.3 0.715 92.8 70.1 -39.7 -38.1 40.8 71.8 111.5 195 291 A N G 3 S+ 0 0 20 1,-0.3 -1,-0.3 8,-0.2 10,-0.1 0.466 80.8 77.5 -67.7 6.5 44.0 73.6 110.3 196 292 A S G < S+ 0 0 0 -3,-2.2 -45,-0.6 1,-0.3 -46,-0.3 0.532 96.6 49.1 -84.9 -7.8 44.1 75.2 113.8 197 293 A F X> + 0 0 0 -3,-2.5 4,-2.6 -4,-0.2 3,-2.4 -0.496 67.8 160.5-129.5 63.0 45.5 71.8 114.8 198 294 A P H 3> S+ 0 0 28 0, 0.0 4,-0.9 0, 0.0 5,-0.4 0.842 73.2 62.3 -51.5 -39.6 48.2 71.3 112.1 199 295 A Q H 34 S+ 0 0 50 1,-0.2 -4,-0.1 2,-0.2 -2,-0.0 0.412 118.7 25.9 -71.2 2.5 49.9 68.8 114.3 200 296 A I H <4 S+ 0 0 5 -3,-2.4 170,-0.3 -6,-0.2 -1,-0.2 0.554 125.0 41.7-137.5 -23.5 46.8 66.6 114.0 201 297 A F H >< S- 0 0 4 -4,-2.6 3,-2.6 -7,-0.3 -2,-0.2 0.119 98.9-120.9-116.6 23.6 45.0 67.4 110.8 202 298 A R T 3< - 0 0 209 -4,-0.9 -3,-0.1 1,-0.3 3,-0.1 0.886 66.5 -60.4 41.9 60.6 48.0 67.7 108.5 203 299 A D T 3 S+ 0 0 126 -5,-0.4 -1,-0.3 1,-0.2 2,-0.2 0.644 96.0 151.6 48.3 14.5 47.4 71.3 107.4 204 300 A R < - 0 0 94 -3,-2.6 -1,-0.2 -10,-0.1 3,-0.1 -0.507 29.4-171.3 -76.9 145.3 44.0 70.1 106.0 205 301 A T S S+ 0 0 58 -2,-0.2 -1,-0.1 -11,-0.2 -2,-0.1 0.244 70.3 59.8-122.5 13.7 41.3 72.8 105.9 206 302 A D + 0 0 96 27,-0.1 2,-0.5 2,-0.1 -1,-0.1 0.224 61.6 130.5-127.6 15.9 38.1 70.9 104.9 207 303 A I - 0 0 6 -6,-0.1 -13,-0.5 1,-0.1 -147,-0.2 -0.606 63.6-114.2 -76.1 124.8 37.6 68.4 107.6 208 304 A Q E -c 60 0A 28 -149,-1.1 -147,-2.3 -2,-0.5 2,-0.4 -0.307 29.9-154.2 -57.4 132.0 34.0 68.5 108.9 209 305 A C E -c 61 0A 3 -149,-0.2 28,-2.8 26,-0.2 2,-0.5 -0.894 6.4-162.3-111.9 139.9 33.8 69.7 112.5 210 306 A L E -cf 62 237A 0 -149,-2.6 -147,-1.9 -2,-0.4 28,-0.2 -0.979 6.1-161.0-123.2 118.1 30.9 68.7 114.8 211 307 A I E - f 0 238A 0 26,-4.0 28,-1.6 -2,-0.5 2,-0.3 -0.784 1.9-166.0-104.1 95.9 30.4 70.9 117.9 212 308 A P E + f 0 239A 0 0, 0.0 2,-0.3 0, 0.0 -147,-0.3 -0.635 33.5 136.4 -77.4 136.5 28.3 69.3 120.7 213 309 A C E - f 0 240A 0 26,-2.9 28,-2.0 -2,-0.3 2,-0.2 -0.995 56.6 -74.4-167.7 171.2 27.4 72.0 123.2 214 310 A A E > - f 0 241A 25 -2,-0.3 3,-2.8 26,-0.3 4,-0.4 -0.571 49.6-114.0 -77.5 141.0 24.9 73.7 125.5 215 311 A I G > S+ 0 0 1 26,-2.9 3,-1.1 1,-0.3 -1,-0.1 0.718 112.5 66.8 -45.7 -30.1 22.3 75.8 123.6 216 312 A D G 3 S+ 0 0 80 1,-0.2 -1,-0.3 25,-0.2 4,-0.1 0.478 93.3 60.9 -75.9 0.2 23.7 79.0 125.1 217 313 A Q G X> S+ 0 0 21 -3,-2.8 3,-1.5 1,-0.1 4,-1.0 0.617 76.2 94.8 -96.6 -15.9 26.9 78.5 123.3 218 314 A D H <> S+ 0 0 0 -3,-1.1 4,-2.7 -4,-0.4 5,-0.3 0.807 70.2 67.7 -46.1 -41.3 25.2 78.7 119.9 219 315 A P H 3> S+ 0 0 21 0, 0.0 4,-2.1 0, 0.0 -1,-0.3 0.881 99.1 51.9 -50.1 -40.6 25.9 82.5 119.4 220 316 A Y H <> S+ 0 0 22 -3,-1.5 4,-1.7 1,-0.2 -2,-0.2 0.924 115.6 41.7 -59.8 -44.8 29.6 81.8 119.1 221 317 A F H X S+ 0 0 0 -4,-1.0 4,-3.3 2,-0.2 -1,-0.2 0.747 107.5 57.4 -79.7 -22.0 29.0 79.2 116.5 222 318 A R H X S+ 0 0 75 -4,-2.7 4,-1.4 2,-0.2 -1,-0.2 0.925 111.7 46.3 -69.3 -41.2 26.3 81.1 114.6 223 319 A M H X S+ 0 0 3 -4,-2.1 4,-1.4 -5,-0.3 -2,-0.2 0.891 114.2 48.5 -64.7 -38.1 29.0 83.8 114.3 224 320 A T H >X S+ 0 0 0 -4,-1.7 4,-3.0 2,-0.2 3,-0.6 0.951 108.3 50.6 -65.5 -51.5 31.5 81.0 113.3 225 321 A R H 3< S+ 0 0 30 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.795 110.1 57.0 -56.4 -27.7 29.2 79.4 110.7 226 322 A D H 3< S+ 0 0 84 -4,-1.4 4,-0.5 -5,-0.2 -1,-0.3 0.846 112.8 33.7 -74.6 -38.6 28.9 83.0 109.4 227 323 A V H <>S+ 0 0 0 -4,-3.0 5,-2.7 1,-0.2 3,-1.5 0.874 93.4 43.9 -37.6 -60.1 33.5 80.2 107.8 229 325 A P G >45S+ 0 0 69 0, 0.0 3,-2.1 0, 0.0 -1,-0.2 0.922 110.5 56.6 -53.6 -48.1 32.4 80.7 104.1 230 326 A R G 345S+ 0 0 109 -4,-0.5 -2,-0.2 1,-0.3 -3,-0.1 0.675 111.6 42.3 -60.2 -20.4 34.0 84.0 103.9 231 327 A I G <<5S- 0 0 11 -3,-1.5 -1,-0.3 -4,-1.3 -3,-0.1 0.070 120.6-103.2-116.5 25.6 37.3 82.6 104.9 232 328 A G T < 5S+ 0 0 61 -3,-2.1 -2,-0.1 1,-0.2 -4,-0.1 0.723 81.1 119.0 65.2 27.5 37.1 79.5 102.8 233 329 A Y < - 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