==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE/RNA 03-AUG-05 2AKE . 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) . 17307.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 279 74.6 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 . 21 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 152 40.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.1 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 3 1 1 3 2 2 0 3 0 2 0 0 1 1 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 83 0, 0.0 2,-0.3 0, 0.0 299,-0.1 0.000 360.0 360.0 360.0-136.5 9.1 56.5 99.1 2 98 A I - 0 0 87 248,-0.0 2,-1.0 0, 0.0 249,-0.0 -0.820 360.0-122.2-107.4 147.2 10.8 54.9 96.0 3 99 A D > + 0 0 93 -2,-0.3 4,-1.0 1,-0.2 3,-0.5 -0.761 29.3 175.8 -92.1 99.1 10.4 56.2 92.4 4 100 A Y H > S+ 0 0 46 -2,-1.0 4,-2.7 1,-0.2 -1,-0.2 0.752 73.7 67.9 -73.7 -27.2 9.0 53.4 90.3 5 101 A D H > S+ 0 0 120 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.829 102.4 48.2 -62.2 -31.2 8.8 55.5 87.2 6 102 A K H > S+ 0 0 110 -3,-0.5 4,-3.6 2,-0.2 -1,-0.2 0.874 107.5 54.5 -75.8 -36.9 12.5 55.6 87.1 7 103 A L H X S+ 0 0 24 -4,-1.0 4,-3.5 2,-0.2 5,-0.4 0.960 109.6 49.2 -57.0 -51.5 12.8 51.9 87.6 8 104 A I H X>S+ 0 0 14 -4,-2.7 4,-3.2 1,-0.2 5,-0.8 0.971 115.4 40.6 -50.0 -66.8 10.5 51.4 84.6 9 105 A V H <5S+ 0 0 85 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.903 116.6 53.3 -51.6 -43.2 12.5 53.7 82.4 10 106 A R H <5S+ 0 0 189 -4,-3.6 -2,-0.2 1,-0.2 -1,-0.2 0.974 116.8 34.4 -55.6 -62.8 15.7 52.2 83.8 11 107 A F H <5S- 0 0 51 -4,-3.5 -1,-0.2 -5,-0.2 -2,-0.2 0.764 108.3-118.0 -66.2 -30.8 14.9 48.6 83.2 12 108 A G T <5 + 0 0 52 -4,-3.2 -3,-0.2 -5,-0.4 -4,-0.1 0.476 68.4 129.9 104.8 1.5 13.0 49.1 79.9 13 109 A S < - 0 0 12 -5,-0.8 2,-0.3 -6,-0.3 32,-0.2 0.207 54.5-109.2 -70.5-158.8 9.6 47.8 81.0 14 110 A S E -A 44 0A 52 30,-1.8 30,-2.2 3,-0.0 2,-0.2 -0.993 19.2-112.5-141.1 146.2 6.4 49.8 80.5 15 111 A K E -A 43 0A 124 -2,-0.3 2,-0.7 28,-0.2 28,-0.2 -0.524 28.3-124.1 -77.8 141.4 3.9 51.6 82.7 16 112 A I - 0 0 15 26,-3.4 2,-0.2 -2,-0.2 -1,-0.1 -0.780 39.3-175.0 -85.0 116.9 0.5 50.1 83.0 17 113 A D > - 0 0 68 -2,-0.7 4,-2.5 1,-0.1 3,-0.2 -0.591 42.3 -94.8-107.1 174.0 -1.9 53.0 82.0 18 114 A K H > S+ 0 0 137 1,-0.2 4,-3.6 2,-0.2 5,-0.3 0.884 123.1 62.2 -55.1 -39.5 -5.7 53.3 82.0 19 115 A E H > S+ 0 0 149 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.956 108.0 42.0 -48.7 -56.2 -5.7 52.2 78.4 20 116 A L H > S+ 0 0 3 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.942 113.5 51.8 -58.3 -51.7 -4.2 48.9 79.4 21 117 A I H X S+ 0 0 16 -4,-2.5 4,-2.0 1,-0.3 -1,-0.2 0.936 110.4 48.9 -52.5 -48.1 -6.4 48.5 82.5 22 118 A N H X S+ 0 0 50 -4,-3.6 4,-3.1 1,-0.2 -1,-0.3 0.858 108.4 54.0 -62.3 -34.5 -9.5 49.2 80.4 23 119 A R H X S+ 0 0 41 -4,-2.1 4,-3.8 -5,-0.3 5,-0.3 0.974 105.7 52.7 -61.7 -51.6 -8.3 46.6 77.8 24 120 A I H X S+ 0 0 0 -4,-2.8 4,-1.6 1,-0.2 6,-0.3 0.887 112.3 47.4 -50.5 -39.6 -8.0 44.0 80.6 25 121 A E H >X>S+ 0 0 76 -4,-2.0 4,-3.1 -5,-0.2 3,-1.0 0.993 112.3 45.6 -66.6 -59.6 -11.6 44.9 81.5 26 122 A R H 3<5S+ 0 0 165 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.915 116.3 49.9 -48.8 -44.5 -13.0 44.7 78.0 27 123 A A H 3<5S+ 0 0 19 -4,-3.8 -1,-0.3 -5,-0.2 -2,-0.2 0.777 121.4 30.6 -67.5 -27.7 -11.1 41.5 77.5 28 124 A T H <<5S- 0 0 19 -4,-1.6 -2,-0.2 -3,-1.0 -1,-0.2 0.614 88.9-136.3-109.7 -11.4 -12.3 39.9 80.7 29 125 A G T <5S+ 0 0 63 -4,-3.1 2,-0.3 1,-0.2 -3,-0.1 0.810 74.8 102.3 59.9 29.8 -15.8 41.3 81.2 30 126 A Q S > - 0 0 19 1,-0.1 4,-2.0 50,-0.1 3,-1.2 -0.096 31.1-115.6 -52.5 146.2 -8.4 44.0 90.4 34 130 A H H 3> S+ 0 0 17 1,-0.3 4,-3.6 2,-0.2 6,-0.3 0.747 114.4 65.7 -59.6 -24.3 -7.6 46.8 92.8 35 131 A F H 34>S+ 0 0 1 2,-0.2 5,-1.7 1,-0.2 6,-1.5 0.912 107.8 41.9 -63.0 -38.2 -3.9 46.1 92.5 36 132 A L H X45S+ 0 0 5 -3,-1.2 3,-1.0 3,-0.2 -2,-0.2 0.932 117.4 46.9 -71.3 -43.2 -4.3 47.2 88.9 37 133 A R H 3<5S+ 0 0 67 -4,-2.0 -2,-0.2 1,-0.2 -3,-0.2 0.906 116.9 42.7 -64.0 -44.1 -6.5 50.1 89.9 38 134 A R T 3<5S- 0 0 43 -4,-3.6 -1,-0.2 -5,-0.2 -2,-0.2 0.182 113.2-109.7 -91.9 15.8 -4.4 51.3 92.7 39 135 A G T < 5S+ 0 0 35 -3,-1.0 -3,-0.2 2,-0.2 3,-0.2 0.642 79.7 126.1 70.8 13.6 -1.0 50.9 91.0 40 136 A I S S+ 0 0 41 -2,-0.3 4,-1.9 191,-0.2 3,-0.3 0.674 80.3 144.2 60.3 20.9 4.2 42.7 76.4 47 143 A M H > + 0 0 0 191,-0.3 4,-2.3 1,-0.2 5,-0.1 0.861 69.9 55.2 -59.3 -33.9 0.9 42.6 78.2 48 144 A N H > S+ 0 0 68 2,-0.2 4,-3.3 1,-0.2 -1,-0.2 0.890 103.9 53.4 -65.1 -39.8 -0.8 43.9 75.1 49 145 A Q H > S+ 0 0 115 -3,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.928 109.0 50.8 -59.4 -43.7 0.6 41.1 73.0 50 146 A V H X S+ 0 0 0 -4,-1.9 4,-3.1 2,-0.2 -2,-0.2 0.941 111.6 46.7 -56.9 -50.2 -0.9 38.7 75.6 51 147 A L H X S+ 0 0 0 -4,-2.3 4,-3.8 2,-0.2 5,-0.3 0.925 108.9 55.1 -59.1 -48.2 -4.3 40.4 75.4 52 148 A D H X S+ 0 0 90 -4,-3.3 4,-1.5 2,-0.2 -1,-0.2 0.948 112.9 42.1 -50.1 -54.6 -4.2 40.4 71.6 53 149 A A H ><>S+ 0 0 16 -4,-2.5 5,-2.4 2,-0.2 3,-1.0 0.972 115.5 49.5 -57.4 -56.1 -3.7 36.6 71.6 54 150 A Y H ><5S+ 0 0 66 -4,-3.1 3,-1.5 1,-0.3 -2,-0.2 0.896 111.1 48.5 -50.2 -49.8 -6.2 36.0 74.3 55 151 A E H 3<5S+ 0 0 86 -4,-3.8 -1,-0.3 1,-0.3 -2,-0.2 0.761 111.1 53.4 -64.4 -22.8 -8.8 38.1 72.6 56 152 A N T <<5S- 0 0 116 -4,-1.5 -1,-0.3 -3,-1.0 -2,-0.2 0.026 122.7-102.7-101.8 27.7 -8.1 36.2 69.4 57 153 A K T < 5S+ 0 0 182 -3,-1.5 -3,-0.2 1,-0.2 -2,-0.1 0.777 75.7 140.3 60.7 29.2 -8.6 32.7 71.0 58 154 A K < - 0 0 127 -5,-2.4 -1,-0.2 -6,-0.2 -2,-0.1 -0.911 52.1-119.0-103.9 129.0 -4.9 32.0 71.3 59 155 A P + 0 0 71 0, 0.0 149,-0.9 0, 0.0 2,-0.3 -0.294 32.6 176.4 -67.5 145.7 -4.0 30.2 74.6 60 156 A F E -c 208 0A 5 147,-0.2 2,-0.3 -6,-0.0 149,-0.2 -0.972 13.0-148.7-144.9 154.6 -1.6 31.6 77.2 61 157 A Y E -c 209 0A 0 147,-2.6 149,-2.3 -2,-0.3 2,-0.3 -0.909 15.2-117.4-128.2 157.8 -0.6 30.3 80.7 62 158 A L E -cd 210 95A 0 32,-2.9 34,-2.4 -2,-0.3 2,-0.4 -0.697 25.1-175.5 -95.9 145.1 0.4 31.9 84.0 63 159 A Y E + d 0 96A 0 147,-2.0 2,-0.3 -2,-0.3 34,-0.2 -0.981 17.1 141.7-143.0 124.9 3.8 31.4 85.7 64 160 A T E - d 0 97A 0 32,-1.9 34,-1.9 -2,-0.4 2,-0.3 -0.938 23.1-159.7-151.8 167.1 4.9 32.7 89.0 65 161 A G E - d 0 98A 5 147,-0.3 2,-0.3 -2,-0.3 34,-0.2 -0.878 13.1-140.4-148.7-177.9 7.0 31.4 91.9 66 162 A R E - d 0 99A 11 32,-3.3 34,-2.2 -2,-0.3 35,-0.1 -0.987 14.3-140.5-151.5 134.1 8.1 31.3 95.5 67 163 A G - 0 0 0 -2,-0.3 2,-2.3 32,-0.2 3,-0.3 -0.876 20.7-140.4 -96.9 116.3 11.5 30.9 97.2 68 164 A P + 0 0 0 0, 0.0 51,-0.2 0, 0.0 50,-0.2 -0.400 41.1 155.5 -77.4 67.6 11.0 28.7 100.3 69 165 A S - 0 0 50 -2,-2.3 2,-0.3 1,-0.1 49,-0.1 0.891 69.5 -20.7 -59.1 -40.6 13.3 30.7 102.5 70 166 A S - 0 0 25 -3,-0.3 -1,-0.1 2,-0.1 52,-0.1 -0.917 63.2 -99.4-156.6-178.3 11.4 29.5 105.5 71 167 A E S S+ 0 0 101 -2,-0.3 2,-0.6 -3,-0.1 -1,-0.1 0.752 99.5 83.3 -81.7 -25.0 8.3 28.0 106.9 72 168 A A - 0 0 36 184,-0.1 2,-0.3 192,-0.0 -2,-0.1 -0.706 60.4-179.9 -86.7 117.6 7.2 31.4 108.1 73 169 A M - 0 0 5 -2,-0.6 192,-2.2 -4,-0.1 2,-0.4 -0.822 9.8-151.2-114.0 156.4 5.5 33.5 105.4 74 170 A H B >> -G 264 0B 11 -2,-0.3 3,-3.6 190,-0.3 4,-0.6 -0.963 34.2 -95.7-133.9 151.1 4.1 37.0 105.7 75 171 A V H >> S+ 0 0 4 188,-2.1 4,-0.7 -2,-0.4 3,-0.5 0.653 119.5 62.6 -23.0 -41.9 1.4 39.1 104.2 76 172 A G H >4 S+ 0 0 11 1,-0.2 3,-0.9 187,-0.2 -1,-0.3 0.891 97.1 58.4 -60.5 -39.0 3.9 40.7 101.8 77 173 A H H <> S+ 0 0 47 -3,-3.6 4,-0.6 1,-0.2 -1,-0.2 0.803 98.4 60.8 -58.7 -35.3 4.5 37.2 100.3 78 174 A L H S+ 0 0 22 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.904 118.3 48.4 -61.2 -37.8 1.8 38.2 93.8 81 177 A F H X S+ 0 0 3 -4,-0.6 4,-3.1 2,-0.2 5,-0.2 0.924 109.5 51.4 -67.7 -43.3 -0.2 35.0 94.6 82 178 A I H X S+ 0 0 49 -4,-3.6 4,-1.9 1,-0.2 -1,-0.2 0.952 114.6 43.4 -56.5 -51.2 -3.4 36.9 95.4 83 179 A F H X S+ 0 0 0 -4,-2.5 4,-2.7 -5,-0.3 -1,-0.2 0.880 113.2 52.3 -63.0 -39.8 -3.2 38.8 92.1 84 180 A T H X S+ 0 0 0 -4,-2.5 4,-2.9 -5,-0.3 -2,-0.2 0.947 106.2 53.0 -64.4 -44.7 -2.2 35.6 90.2 85 181 A K H X S+ 0 0 40 -4,-3.1 4,-2.3 1,-0.2 -1,-0.2 0.911 110.8 48.9 -55.9 -40.0 -5.2 33.8 91.6 86 182 A W H X S+ 0 0 37 -4,-1.9 4,-2.6 -5,-0.2 5,-0.3 0.949 109.7 50.6 -64.9 -47.4 -7.4 36.7 90.3 87 183 A L H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 5,-0.4 0.895 109.7 51.8 -57.3 -40.9 -5.8 36.5 86.9 88 184 A Q H X>S+ 0 0 0 -4,-2.9 4,-2.7 2,-0.2 5,-0.6 0.966 112.8 43.7 -60.5 -52.9 -6.4 32.8 86.7 89 185 A D H <5S+ 0 0 74 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.974 116.8 45.9 -53.2 -61.7 -10.1 33.2 87.6 90 186 A V H <5S+ 0 0 14 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.802 125.7 28.2 -54.5 -40.6 -10.7 36.1 85.3 91 187 A F H <5S- 0 0 2 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.682 96.8-136.4 -97.0 -19.0 -8.8 34.8 82.2 92 188 A N T <5 + 0 0 73 -4,-2.7 -3,-0.2 -5,-0.4 -4,-0.1 0.968 50.4 145.7 62.8 55.8 -9.4 31.1 83.0 93 189 A V < - 0 0 7 -5,-0.6 -1,-0.2 -6,-0.2 -32,-0.1 -0.813 52.5 -98.3-119.7 160.9 -5.9 30.0 82.1 94 190 A P - 0 0 13 0, 0.0 -32,-2.9 0, 0.0 2,-0.4 -0.463 38.0-146.1 -77.8 155.5 -3.7 27.2 83.6 95 191 A L E -de 62 136A 0 40,-2.8 42,-2.7 -34,-0.2 2,-0.5 -0.963 12.8-162.6-129.1 143.1 -1.1 28.2 86.1 96 192 A V E -de 63 137A 0 -34,-2.4 -32,-1.9 -2,-0.4 2,-0.5 -0.982 10.5-166.8-122.8 121.0 2.4 26.9 87.0 97 193 A I E -de 64 138A 0 40,-2.5 42,-3.2 -2,-0.5 2,-0.5 -0.943 8.5-149.3-116.5 121.5 4.0 27.8 90.4 98 194 A Q E -de 65 139A 0 -34,-1.9 -32,-3.3 -2,-0.5 2,-0.8 -0.757 6.1-163.7 -94.7 125.0 7.7 27.3 91.1 99 195 A M E -de 66 140A 0 40,-3.1 42,-2.1 -2,-0.5 2,-1.8 -0.924 12.0-155.0-104.0 107.0 9.0 26.5 94.5 100 196 A T >> + 0 0 0 -34,-2.2 4,-2.0 -2,-0.8 3,-0.8 -0.349 38.2 148.0 -83.7 59.3 12.7 27.1 94.3 101 197 A D H 3> S+ 0 0 0 -2,-1.8 4,-2.3 1,-0.3 -1,-0.2 0.886 74.6 55.4 -58.5 -36.3 13.7 24.8 97.2 102 198 A D H 3> S+ 0 0 24 -3,-0.4 4,-0.9 1,-0.2 -1,-0.3 0.792 105.1 53.1 -68.9 -24.0 17.0 24.2 95.2 103 199 A E H <> S+ 0 0 11 -3,-0.8 4,-2.8 2,-0.2 3,-0.4 0.948 110.9 43.7 -75.6 -49.3 17.6 28.0 95.1 104 200 A K H X S+ 0 0 32 -4,-2.0 4,-3.0 1,-0.3 6,-0.2 0.915 108.2 58.8 -62.9 -41.0 17.3 28.5 98.9 105 201 A Y H < S+ 0 0 102 -4,-2.3 5,-0.5 -5,-0.2 -1,-0.3 0.866 113.7 41.5 -53.3 -34.9 19.3 25.4 99.5 106 202 A L H < S+ 0 0 54 -4,-0.9 -2,-0.2 -3,-0.4 -1,-0.2 0.916 121.1 37.3 -79.1 -47.8 22.0 27.2 97.5 107 203 A W H < S+ 0 0 89 -4,-2.8 2,-0.3 -5,-0.1 -2,-0.2 0.671 117.5 44.6 -82.7 -19.1 21.7 30.7 98.9 108 204 A K S < S- 0 0 121 -4,-3.0 2,-2.0 -5,-0.2 -39,-0.0 -0.851 93.1 -97.9-126.9 160.3 21.0 30.0 102.5 109 205 A D S S+ 0 0 142 -2,-0.3 2,-0.3 2,-0.0 -4,-0.1 -0.565 76.4 129.0 -77.5 81.8 22.4 27.6 105.2 110 206 A L - 0 0 21 -2,-2.0 2,-0.3 -5,-0.5 -2,-0.1 -0.923 56.2-122.5-133.5 157.0 19.7 25.0 104.7 111 207 A T > - 0 0 69 -2,-0.3 4,-2.5 1,-0.1 3,-0.3 -0.752 31.9-110.1 -99.7 150.4 19.7 21.3 104.1 112 208 A L H > S+ 0 0 79 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.887 120.9 51.2 -45.2 -42.0 18.1 19.7 101.1 113 209 A D H > S+ 0 0 130 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.935 110.1 46.8 -63.3 -46.0 15.5 18.3 103.4 114 210 A Q H > S+ 0 0 76 -3,-0.3 4,-2.4 2,-0.2 5,-0.2 0.947 111.5 51.6 -58.7 -51.9 14.7 21.5 105.1 115 211 A A H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 3,-0.4 0.956 111.8 46.2 -48.8 -60.0 14.4 23.4 101.9 116 212 A Y H X S+ 0 0 73 -4,-2.3 4,-2.3 1,-0.3 -1,-0.2 0.895 109.2 54.2 -51.4 -48.3 12.0 20.9 100.4 117 213 A S H X S+ 0 0 44 -4,-2.4 4,-3.4 1,-0.2 -1,-0.3 0.909 109.4 48.5 -55.4 -42.8 9.9 20.8 103.5 118 214 A Y H X S+ 0 0 41 -4,-2.4 4,-3.0 -3,-0.4 -1,-0.2 0.855 107.0 56.4 -65.8 -35.1 9.5 24.6 103.4 119 215 A A H X S+ 0 0 0 -4,-2.1 4,-1.4 -5,-0.2 -1,-0.2 0.903 114.2 40.1 -61.4 -40.1 8.6 24.3 99.7 120 216 A V H X S+ 0 0 27 -4,-2.3 4,-1.1 2,-0.2 -2,-0.2 0.916 114.4 50.0 -75.8 -47.0 5.8 22.0 100.8 121 217 A E H >X S+ 0 0 44 -4,-3.4 3,-0.9 1,-0.2 4,-0.8 0.934 112.1 49.5 -57.7 -43.4 4.7 23.9 103.8 122 218 A N H >X S+ 0 0 0 -4,-3.0 4,-2.2 1,-0.3 3,-0.5 0.885 98.3 67.6 -63.7 -36.9 4.6 27.1 101.8 123 219 A A H 3X S+ 0 0 0 -4,-1.4 4,-2.7 1,-0.2 -1,-0.3 0.848 93.2 63.2 -50.7 -34.9 2.5 25.3 99.1 124 220 A K H <>S+ 0 0 0 -4,-2.2 3,-1.0 1,-0.2 5,-0.5 0.924 113.0 43.3 -60.4 -41.8 -0.3 29.4 98.3 127 223 A I H ><5S+ 0 0 13 -4,-2.7 3,-2.9 1,-0.3 4,-0.4 0.911 103.1 65.8 -68.4 -41.9 -3.1 26.8 97.9 128 224 A A T 3<5S+ 0 0 4 -4,-3.0 -1,-0.3 1,-0.3 -2,-0.2 0.643 86.2 76.0 -56.0 -10.5 -5.0 28.5 100.7 129 225 A C T < 5S- 0 0 21 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.541 116.6-104.5 -80.3 -6.2 -5.2 31.4 98.3 130 226 A G T < 5 + 0 0 37 -3,-2.9 -2,-0.1 1,-0.2 -3,-0.1 0.599 56.0 167.2 99.2 10.7 -7.9 29.6 96.2 131 227 A F < - 0 0 10 -5,-0.5 2,-0.7 -4,-0.4 -1,-0.2 -0.261 46.2-102.1 -60.8 147.6 -6.1 28.4 93.1 132 228 A D > - 0 0 42 1,-0.2 3,-2.4 3,-0.1 4,-0.4 -0.617 20.5-148.3 -75.8 111.3 -8.1 25.9 91.1 133 229 A I T 3 S+ 0 0 42 -2,-0.7 3,-0.4 1,-0.3 -1,-0.2 0.739 97.0 58.0 -49.5 -24.5 -6.8 22.4 91.8 134 230 A N T 3 S+ 0 0 86 1,-0.2 237,-2.0 236,-0.1 -1,-0.3 0.627 115.5 28.5 -85.9 -15.5 -7.7 21.6 88.1 135 231 A K S < S+ 0 0 21 -3,-2.4 -40,-2.8 235,-0.2 2,-0.3 0.021 104.9 75.0-136.8 35.2 -5.7 24.2 86.4 136 232 A T E -e 95 0A 0 -4,-0.4 2,-0.5 -3,-0.4 -40,-0.2 -0.988 51.9-162.3-146.7 134.7 -2.6 24.9 88.5 137 233 A F E -e 96 0A 1 -42,-2.7 -40,-2.5 -2,-0.3 2,-0.6 -0.940 5.7-165.5-120.6 106.5 0.6 22.9 89.1 138 234 A I E -e 97 0A 0 226,-0.8 2,-0.3 -2,-0.5 -40,-0.2 -0.827 23.1-177.9 -88.8 125.8 2.6 23.9 92.2 139 235 A F E -e 98 0A 2 -42,-3.2 -40,-3.1 -2,-0.6 2,-0.4 -0.952 29.3-136.4-135.6 152.3 6.0 22.3 91.9 140 236 A S E > -e 99 0A 5 -2,-0.3 4,-2.8 225,-0.2 5,-0.4 -0.838 15.7-142.8 -98.4 134.0 9.4 21.8 93.7 141 237 A D H > S+ 0 0 0 -42,-2.1 4,-2.7 -2,-0.4 5,-0.3 0.963 104.0 53.8 -58.4 -51.7 12.6 22.2 91.7 142 238 A L H > S+ 0 0 62 -43,-0.3 4,-0.6 2,-0.2 -1,-0.2 0.853 120.0 33.5 -50.7 -39.3 14.2 19.4 93.6 143 239 A D H >4 S+ 0 0 56 2,-0.1 3,-0.9 1,-0.1 -2,-0.2 0.971 120.1 44.7 -79.0 -67.0 11.3 17.1 92.8 144 240 A Y H >< S+ 0 0 2 -4,-2.8 3,-2.2 1,-0.3 -3,-0.2 0.811 102.2 66.8 -50.6 -39.5 10.2 18.2 89.4 145 241 A M H >< S+ 0 0 47 -4,-2.7 3,-0.6 -5,-0.4 7,-0.3 0.947 106.2 43.4 -49.2 -50.7 13.7 18.3 88.0 146 242 A G T << S+ 0 0 73 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.313 114.9 49.1 -80.7 7.9 13.9 14.6 88.4 147 243 A M T < S+ 0 0 85 -3,-2.2 2,-0.3 -4,-0.2 -1,-0.2 -0.289 93.0 84.3-141.1 54.7 10.5 13.8 87.1 148 244 A S < - 0 0 25 -3,-0.6 4,-0.4 1,-0.1 49,-0.1 -0.959 52.7-157.1-158.1 137.5 10.3 15.6 83.8 149 245 A S S > S+ 0 0 73 -2,-0.3 4,-0.7 2,-0.1 -1,-0.1 0.928 96.7 32.4 -77.8 -47.1 11.3 15.1 80.3 150 246 A G H > S+ 0 0 8 2,-0.1 4,-2.0 46,-0.1 5,-0.2 0.861 101.4 70.2 -81.9 -40.7 11.3 18.7 79.2 151 247 A F H >> S+ 0 0 0 45,-0.7 4,-1.9 1,-0.2 3,-0.6 0.918 104.8 40.2 -46.2 -60.2 12.4 20.8 82.2 152 248 A Y H 3> S+ 0 0 131 -4,-0.4 4,-2.5 -7,-0.3 5,-0.3 0.927 111.0 59.3 -60.4 -41.7 16.0 19.8 82.4 153 249 A K H 3X S+ 0 0 140 -4,-0.7 4,-1.7 1,-0.2 -1,-0.2 0.851 107.2 47.3 -56.0 -33.2 16.3 19.8 78.6 154 250 A N H < S+ 0 0 0 -4,-3.7 3,-0.7 1,-0.2 -2,-0.2 0.874 112.5 51.0 -66.3 -35.3 19.1 27.9 78.4 159 255 A Q H >< S+ 0 0 66 -4,-3.3 3,-1.4 1,-0.2 -1,-0.2 0.836 101.7 59.4 -71.6 -35.1 22.5 27.4 79.9 160 256 A K H 3< S+ 0 0 174 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.681 110.0 47.5 -67.5 -12.4 24.3 26.8 76.6 161 257 A H T << S+ 0 0 57 -3,-0.7 2,-0.4 -4,-0.5 -1,-0.3 0.109 98.1 71.4-117.7 22.7 23.1 30.3 75.8 162 258 A V < - 0 0 26 -3,-1.4 -1,-0.1 4,-0.0 2,-0.1 -0.926 66.8-149.9-141.5 114.0 24.0 32.4 78.8 163 259 A T > - 0 0 76 -2,-0.4 4,-1.8 1,-0.1 5,-0.2 -0.378 26.4-114.8 -80.7 159.0 27.7 33.2 79.6 164 260 A F H > S+ 0 0 64 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.904 117.4 56.6 -59.6 -41.1 29.1 33.8 83.1 165 261 A N H > S+ 0 0 106 2,-0.2 4,-3.7 1,-0.2 -1,-0.2 0.902 103.6 55.2 -58.7 -39.0 29.8 37.4 82.2 166 262 A Q H > S+ 0 0 57 2,-0.2 4,-3.4 1,-0.2 -1,-0.2 0.973 114.5 36.8 -57.5 -56.4 26.1 37.9 81.4 167 263 A V H X>S+ 0 0 5 -4,-1.8 4,-3.6 2,-0.2 5,-0.9 0.845 115.1 56.5 -66.2 -31.8 24.9 36.6 84.8 168 264 A K H X5S+ 0 0 86 -4,-3.1 4,-1.6 -5,-0.2 -1,-0.2 0.960 113.5 41.6 -60.9 -49.5 27.8 38.3 86.4 169 265 A G H <5S+ 0 0 64 -4,-3.7 -2,-0.2 -5,-0.2 -1,-0.2 0.933 122.7 38.5 -62.1 -49.3 26.6 41.5 84.8 170 266 A I H <5S+ 0 0 55 -4,-3.4 -2,-0.2 -5,-0.2 -3,-0.2 0.917 133.9 19.6 -70.1 -48.8 22.9 40.9 85.5 171 267 A F H <5S- 0 0 50 -4,-3.6 -3,-0.2 -5,-0.2 -2,-0.2 0.568 98.2-123.9-100.5 -13.7 23.1 39.4 89.0 172 268 A G << + 0 0 49 -4,-1.6 -4,-0.2 -5,-0.9 -3,-0.2 0.869 47.9 165.4 73.7 36.3 26.5 40.5 90.0 173 269 A F - 0 0 20 -6,-0.6 2,-0.3 -9,-0.2 -1,-0.1 -0.152 22.2-143.4 -73.0-179.0 28.0 37.1 90.8 174 270 A T > - 0 0 62 4,-0.1 3,-3.4 1,-0.0 8,-0.1 -0.968 29.3-103.0-146.7 156.2 31.7 36.8 91.2 175 271 A D T 3 S+ 0 0 149 -2,-0.3 -2,-0.0 1,-0.3 -1,-0.0 0.723 120.6 66.3 -50.9 -21.8 34.4 34.1 90.4 176 272 A S T 3 S+ 0 0 109 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.609 82.6 100.1 -77.9 -13.7 34.1 33.4 94.1 177 273 A D S < S- 0 0 44 -3,-3.4 2,-0.2 1,-0.1 -4,-0.0 -0.289 82.4 -99.0 -74.3 158.8 30.5 32.1 93.8 178 274 A C >> - 0 0 62 1,-0.1 4,-1.9 -72,-0.1 3,-1.5 -0.519 28.2-120.7 -75.0 142.9 29.5 28.4 93.7 179 275 A I H 3> S+ 0 0 149 1,-0.3 4,-1.2 2,-0.2 -1,-0.1 0.722 112.7 68.3 -57.0 -16.0 28.8 27.0 90.2 180 276 A G H 34 S+ 0 0 26 2,-0.2 4,-0.3 1,-0.2 -1,-0.3 0.862 103.6 38.6 -70.2 -38.8 25.4 26.3 91.7 181 277 A K H X4 S+ 0 0 42 -3,-1.5 3,-1.0 2,-0.2 -2,-0.2 0.871 108.3 65.2 -76.5 -40.5 24.4 30.0 92.0 182 278 A I H 3< S+ 0 0 29 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.849 116.1 26.6 -51.4 -40.2 26.1 30.9 88.7 183 279 A S T >X S+ 0 0 51 -4,-1.2 3,-1.0 1,-0.1 4,-0.7 0.359 90.5 100.5-111.1 10.3 23.7 28.8 86.7 184 280 A F H X> S+ 0 0 4 -3,-1.0 4,-1.3 -4,-0.3 3,-0.8 0.856 71.7 70.3 -60.4 -35.3 20.7 28.9 88.9 185 281 A P H 3> S+ 0 0 2 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.853 89.8 61.6 -51.7 -34.6 19.1 31.6 86.7 186 282 A A H X> S+ 0 0 7 -3,-1.0 4,-2.5 1,-0.2 3,-0.6 0.938 100.7 54.4 -58.1 -43.7 18.6 29.0 84.0 187 283 A I H << S+ 0 0 17 -3,-0.8 -1,-0.2 -4,-0.7 -3,-0.1 0.893 108.9 46.6 -57.3 -42.1 16.4 27.1 86.3 188 284 A Q H 3< S+ 0 0 0 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.712 112.9 50.6 -75.5 -17.9 14.1 30.1 87.0 189 285 A A H X< S+ 0 0 0 -4,-1.5 3,-2.1 -3,-0.6 -2,-0.2 0.922 94.0 74.3 -80.4 -48.9 13.9 30.9 83.3 190 286 A A G >< S+ 0 0 0 -4,-2.5 3,-1.9 1,-0.3 -2,-0.2 0.715 83.3 63.5 -36.3 -44.1 12.9 27.4 82.2 191 287 A P G 3 S+ 0 0 0 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.414 86.5 77.3 -72.2 13.6 9.3 27.4 83.4 192 288 A S G < S+ 0 0 2 -3,-2.1 2,-0.6 1,-0.2 -2,-0.2 0.394 82.9 76.2 -95.0 0.0 8.7 30.2 80.9 193 289 A F S X S- 0 0 3 -3,-1.9 3,-2.2 1,-0.1 4,-0.3 -0.874 76.3-145.7-121.8 101.9 8.7 27.6 78.2 194 290 A S G > S+ 0 0 2 -2,-0.6 3,-2.8 13,-0.6 7,-0.2 0.731 95.7 65.7 -29.1 -48.8 5.5 25.6 77.9 195 291 A N G 3 S+ 0 0 23 1,-0.3 -1,-0.3 9,-0.2 10,-0.1 0.333 82.0 77.4 -67.8 14.7 7.4 22.5 76.8 196 292 A S G < S+ 0 0 0 -3,-2.2 -45,-0.7 1,-0.2 -1,-0.3 0.529 97.2 49.7 -91.7 -10.1 9.0 22.3 80.2 197 293 A F X> + 0 0 0 -3,-2.8 4,-2.2 -4,-0.3 3,-2.1 -0.527 69.0 160.9-126.9 64.8 5.7 20.9 81.2 198 294 A P H 3> S+ 0 0 28 0, 0.0 4,-2.2 0, 0.0 6,-0.2 0.866 72.0 60.3 -51.9 -46.2 5.2 18.2 78.6 199 295 A Q H 34 S+ 0 0 54 1,-0.2 -4,-0.1 2,-0.2 171,-0.0 0.455 119.1 28.6 -65.9 -0.6 2.6 16.4 80.7 200 296 A I H <4 S+ 0 0 16 -3,-2.1 170,-0.3 -6,-0.2 -1,-0.2 0.533 129.5 34.1-134.1 -17.7 0.4 19.5 80.6 201 297 A F H >< S- 0 0 22 -4,-2.2 3,-1.0 -7,-0.2 -2,-0.2 0.375 97.5-123.8-121.1 2.4 1.2 21.3 77.3 202 298 A R T 3< - 0 0 211 -4,-2.2 -3,-0.1 -5,-0.3 3,-0.1 0.951 65.5 -58.2 59.4 58.4 1.9 18.3 75.0 203 299 A D T 3 S+ 0 0 127 1,-0.2 2,-0.3 -9,-0.2 -1,-0.2 0.680 95.0 153.5 48.8 14.2 5.4 19.1 73.8 204 300 A R < - 0 0 109 -3,-1.0 -7,-0.2 -6,-0.2 -1,-0.2 -0.564 25.0-174.2 -73.8 135.0 3.9 22.3 72.5 205 301 A T + 0 0 59 -2,-0.3 -1,-0.1 -11,-0.2 -11,-0.1 0.412 66.3 59.0-117.0 4.5 6.6 25.1 72.3 206 302 A D + 0 0 101 27,-0.1 2,-0.6 -13,-0.1 -1,-0.1 0.083 63.1 132.4-121.9 25.0 4.8 28.3 71.3 207 303 A I - 0 0 15 -3,-0.1 -13,-0.6 1,-0.1 -147,-0.2 -0.693 60.6-116.2 -83.0 124.7 2.3 28.8 74.1 208 304 A Q E -c 60 0A 26 -149,-0.9 -147,-2.6 -2,-0.6 2,-0.4 -0.274 28.4-155.1 -56.9 133.6 2.4 32.4 75.4 209 305 A C E -c 61 0A 2 -149,-0.2 28,-3.1 26,-0.2 2,-0.5 -0.901 6.2-161.4-115.0 141.8 3.5 32.7 79.1 210 306 A L E -cf 62 237A 0 -149,-2.3 -147,-2.0 -2,-0.4 28,-0.2 -0.977 7.4-160.5-124.8 116.7 2.6 35.6 81.4 211 307 A I E - f 0 238A 0 26,-4.1 28,-1.6 -2,-0.5 2,-0.4 -0.789 2.6-165.3-102.5 96.8 4.7 36.0 84.5 212 308 A P E + f 0 239A 0 0, 0.0 2,-0.3 0, 0.0 -147,-0.3 -0.667 32.3 144.3 -78.8 132.0 3.3 38.1 87.3 213 309 A C E - 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0 0 43 -2,-0.3 2,-0.3 -8,-0.0 8,-0.0 -0.917 15.1-175.3-115.6 134.6 11.9 42.8 106.0 255 351 A S > - 0 0 42 -2,-0.4 3,-0.6 3,-0.2 6,-0.3 -0.919 40.1-117.4-127.9 155.2 13.0 39.2 106.7 256 352 A A T 3 S+ 0 0 35 -2,-0.3 -184,-0.1 1,-0.2 -185,-0.1 0.463 114.7 63.0 -65.6 0.7 11.3 36.0 107.9 257 353 A S T 3 S+ 0 0 99 1,-0.2 -1,-0.2 2,-0.0 3,-0.1 0.850 88.8 65.0 -93.1 -43.6 13.7 36.4 110.8 258 354 A D X - 0 0 74 -3,-0.6 3,-1.4 1,-0.2 4,-0.3 -0.717 67.5-168.7 -81.6 105.1 12.6 39.7 112.2 259 355 A P G > S+ 0 0 78 0, 0.0 3,-0.8 0, 0.0 5,-0.2 0.817 85.7 55.1 -66.9 -26.9 9.1 38.8 113.4 260 356 A N G 3 S+ 0 0 73 1,-0.2 3,-0.1 -3,-0.1 -2,-0.1 0.263 86.8 88.3 -86.7 12.5 8.2 42.5 114.0 261 357 A S G < S- 0 0 1 -3,-1.4 -14,-2.1 -6,-0.3 -13,-0.3 0.726 104.3 -22.1 -80.3 -25.3 9.1 43.1 110.4 262 358 A S S < S- 0 0 0 -3,-0.8 2,-0.7 -4,-0.3 -1,-0.2 -0.970 80.0 -72.3-170.5 174.7 5.7 42.4 109.1 263 359 A I - 0 0 0 -2,-0.3 -188,-2.1 -3,-0.1 2,-0.2 -0.765 50.5-148.4 -85.5 117.0 2.4 40.6 109.8 264 360 A F B > -G 74 0B 11 -2,-0.7 3,-1.8 -190,-0.2 -190,-0.3 -0.611 21.5-116.0 -89.3 149.0 3.0 36.8 109.5 265 361 A L T 3 S+ 0 0 6 -192,-2.2 -191,-0.1 1,-0.3 85,-0.1 0.500 115.4 49.4 -60.3 -3.6 0.3 34.4 108.3 266 362 A T T 3 S+ 0 0 105 -193,-0.3 -1,-0.3 2,-0.1 -192,-0.1 0.569 82.6 121.3-110.4 -14.7 0.3 32.7 111.6 267 363 A D < - 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0 0 4 -4,-1.7 -32,-0.2 -5,-1.2 -33,-0.1 -0.366 68.2-123.9 -56.3 118.0 3.7 50.3 111.9 281 377 A F - 0 0 92 -34,-3.0 22,-1.0 -35,-0.2 21,-0.3 -0.224 30.3-138.3 -61.1 155.1 5.6 53.4 110.7 282 378 A S - 0 0 33 19,-0.2 -1,-0.1 20,-0.1 16,-0.0 -0.807 32.3-166.7-124.0 161.0 3.6 56.6 110.5 283 379 A G + 0 0 9 -2,-0.3 14,-2.1 2,-0.1 2,-0.3 0.052 62.6 117.6-122.7 17.4 3.0 59.6 108.4 284 380 A G S S- 0 0 20 12,-0.2 -2,-0.1 1,-0.1 12,-0.1 -0.687 71.9-100.6 -92.7 142.6 1.1 61.3 111.2 285 381 A R - 0 0 97 -2,-0.3 46,-0.1 3,-0.1 -1,-0.1 -0.073 30.4-114.3 -56.7 156.5 2.2 64.5 112.8 286 382 A D S S+ 0 0 152 4,-0.1 2,-0.2 2,-0.0 -1,-0.1 0.989 98.9 35.7 -55.8 -74.1 4.0 64.4 116.2 287 383 A T S > S- 0 0 57 1,-0.1 4,-2.1 4,-0.0 5,-0.1 -0.522 84.6-123.4 -82.1 150.1 1.4 66.1 118.4 288 384 A I H > S+ 0 0 88 1,-0.2 4,-2.2 2,-0.2 -1,-0.1 0.814 113.7 56.2 -64.0 -25.9 -2.3 65.6 117.7 289 385 A E H > S+ 0 0 126 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.930 106.2 49.6 -69.2 -44.6 -2.7 69.4 117.3 290 386 A E H > S+ 0 0 68 1,-0.2 4,-2.8 2,-0.2 5,-0.5 0.911 110.3 51.7 -57.2 -44.9 -0.1 69.4 114.6 291 387 A H H X S+ 0 0 2 -4,-2.1 4,-3.0 1,-0.2 -1,-0.2 0.931 103.8 56.8 -59.1 -48.3 -1.9 66.5 112.9 292 388 A R H < S+ 0 0 101 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.803 116.9 34.4 -55.4 -32.0 -5.2 68.3 112.9 293 389 A Q H < S+ 0 0 162 -4,-1.3 -2,-0.2 -3,-0.5 -1,-0.2 0.888 130.1 30.0 -90.7 -46.6 -3.8 71.3 111.1 294 390 A F H < S- 0 0 122 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.769 97.2-146.2 -83.6 -32.2 -1.2 69.7 108.7 295 391 A G < - 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0 0 22 -4,-3.7 6,-0.1 -5,-0.3 -1,-0.1 -0.730 53.3-177.7 -83.1 102.7 -9.1 47.5 102.0 312 408 A E + 0 0 129 -2,-1.3 2,-0.9 1,-0.1 -1,-0.2 0.863 53.5 92.5 -71.4 -37.2 -11.1 46.3 98.9 313 409 A D > - 0 0 68 1,-0.2 4,-2.0 -3,-0.1 5,-0.2 -0.463 65.1-156.7 -64.6 103.2 -13.9 48.9 99.1 314 410 A D H > S+ 0 0 49 -2,-0.9 4,-1.3 1,-0.2 -1,-0.2 0.789 88.0 48.0 -49.7 -38.4 -12.6 51.7 96.8 315 411 A D H > S+ 0 0 127 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.949 107.4 52.0 -73.2 -50.1 -14.8 54.3 98.5 316 412 A K H > S+ 0 0 127 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.902 106.8 56.0 -52.9 -42.1 -14.0 53.5 102.1 317 413 A L H X S+ 0 0 15 -4,-2.0 4,-3.0 1,-0.2 3,-0.3 0.940 106.6 50.7 -56.3 -46.3 -10.3 53.7 101.3 318 414 A E H X S+ 0 0 82 -4,-1.3 4,-3.9 1,-0.2 -2,-0.2 0.942 103.5 57.0 -56.6 -51.3 -10.9 57.2 100.0 319 415 A Q H X S+ 0 0 96 -4,-2.2 4,-2.0 1,-0.2 5,-0.3 0.865 112.8 43.8 -47.0 -39.9 -12.7 58.3 103.1 320 416 A I H X S+ 0 0 20 -4,-1.8 4,-2.5 -3,-0.3 5,-0.4 0.961 111.8 50.0 -73.4 -50.9 -9.6 57.3 105.0 321 417 A R H X S+ 0 0 89 -4,-3.0 4,-3.3 3,-0.2 -2,-0.2 0.941 118.3 42.8 -51.2 -48.6 -7.2 58.9 102.5 322 418 A K H X S+ 0 0 94 -4,-3.9 4,-2.5 2,-0.2 5,-0.4 0.995 117.0 40.8 -61.5 -75.0 -9.2 62.1 102.8 323 419 A D H X S+ 0 0 49 -4,-2.0 6,-2.3 1,-0.2 4,-0.9 0.740 121.4 47.6 -49.3 -23.1 -9.9 62.3 106.5 324 420 A Y H < S+ 0 0 0 -4,-2.5 -28,-2.3 -5,-0.3 -1,-0.2 0.946 110.3 48.3 -83.3 -50.8 -6.4 61.2 107.1 325 421 A T H < S+ 0 0 52 -4,-3.3 -2,-0.2 -5,-0.4 -3,-0.2 0.877 115.6 45.3 -52.5 -44.2 -4.7 63.6 104.7 326 422 A S H < S- 0 0 68 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.847 117.1-109.2 -71.1 -36.6 -6.6 66.6 106.0 327 423 A G S < S+ 0 0 2 -4,-0.9 -3,-0.1 -5,-0.4 -32,-0.1 0.184 86.8 118.1 125.2 -13.5 -6.1 65.7 109.6 328 424 A A S S+ 0 0 49 -6,-0.2 2,-0.5 1,-0.1 -4,-0.2 0.662 75.4 53.7 -57.6 -18.9 -9.7 64.7 110.5 329 425 A M S S- 0 0 18 -6,-2.3 -33,-0.3 -7,-0.2 2,-0.2 -0.983 80.8-140.9-123.2 128.6 -8.3 61.2 111.3 330 426 A L >> - 0 0 39 -2,-0.5 4,-2.0 1,-0.1 3,-1.7 -0.611 29.1-113.8 -83.7 146.4 -5.5 60.6 113.7 331 427 A T H 3> S+ 0 0 32 1,-0.3 4,-2.7 -2,-0.2 5,-0.2 0.747 117.4 69.1 -53.1 -16.2 -3.0 57.9 112.8 332 428 A G H 3> S+ 0 0 38 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.935 102.5 38.5 -66.7 -45.6 -4.5 56.2 115.9 333 429 A E H <> S+ 0 0 89 -3,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.897 114.2 57.3 -70.3 -40.8 -7.9 55.7 114.2 334 430 A L H >X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 3,-1.0 0.980 109.7 42.9 -51.5 -64.3 -6.1 54.8 110.9 335 431 A K H 3X S+ 0 0 19 -4,-2.7 4,-2.1 1,-0.3 -1,-0.2 0.905 110.0 58.1 -49.1 -45.1 -4.1 52.1 112.6 336 432 A K H 3X S+ 0 0 128 -4,-2.0 4,-1.9 -5,-0.2 -1,-0.3 0.893 108.0 48.0 -53.5 -39.3 -7.3 51.0 114.3 337 433 A A H S+ 0 0 71 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.853 116.5 57.1 -58.1 -29.9 -10.5 38.9 109.9 345 441 A L H X S+ 0 0 52 -4,-1.3 4,-2.2 2,-0.2 -2,-0.2 0.959 110.1 38.7 -65.3 -56.4 -8.2 38.6 106.8 346 442 A I H X S+ 0 0 7 -4,-3.2 4,-2.9 2,-0.2 5,-0.2 0.936 114.2 56.2 -62.0 -44.3 -5.4 36.6 108.4 347 443 A A H X S+ 0 0 50 -4,-2.5 4,-1.6 -5,-0.4 -2,-0.2 0.949 106.8 51.3 -48.9 -53.9 -8.0 34.6 110.4 348 444 A E H >X S+ 0 0 109 -4,-2.5 4,-2.4 -5,-0.2 3,-0.9 0.940 109.7 48.9 -46.8 -58.3 -9.6 33.7 107.0 349 445 A H H 3X S+ 0 0 8 -4,-2.2 4,-3.2 1,-0.3 5,-0.3 0.949 106.7 55.5 -48.7 -57.1 -6.3 32.6 105.6 350 446 A Q H 3X S+ 0 0 71 -4,-2.9 4,-1.3 1,-0.2 -1,-0.3 0.775 110.7 46.3 -48.8 -32.1 -5.5 30.4 108.6 351 447 A A H < S+ 0 0 58 -4,-3.2 3,-1.8 -5,-0.3 -1,-0.3 0.908 102.6 55.9 -63.0 -41.2 -5.0 26.8 105.1 354 450 A K H 3< S+ 0 0 188 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.803 100.2 60.3 -61.9 -28.3 -6.2 24.2 107.6 355 451 A E T 3< S+ 0 0 143 -4,-1.5 2,-0.9 -3,-0.5 -1,-0.3 0.611 80.4 99.7 -74.7 -11.4 -8.6 22.8 105.0 356 452 A V < - 0 0 15 -3,-1.8 2,-0.1 -4,-0.4 -232,-0.0 -0.687 63.8-164.4 -79.4 107.2 -5.5 22.0 102.9 357 453 A T >> - 0 0 55 -2,-0.9 4,-1.9 1,-0.1 3,-0.5 -0.347 33.0-106.0 -86.1 170.7 -5.0 18.3 103.6 358 454 A D H 3> S+ 0 0 118 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.897 121.8 55.0 -65.3 -37.6 -1.8 16.3 102.8 359 455 A E H 3> S+ 0 0 138 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.731 106.0 53.5 -68.4 -19.6 -3.6 14.6 99.9 360 456 A I H <> S+ 0 0 56 -3,-0.5 4,-2.5 2,-0.2 5,-0.2 0.926 108.3 46.2 -80.2 -45.8 -4.4 18.1 98.5 361 457 A V H X S+ 0 0 5 -4,-1.9 4,-2.9 1,-0.2 -2,-0.2 0.955 112.1 55.9 -56.8 -45.6 -0.8 19.4 98.5 362 458 A K H < S+ 0 0 150 -4,-2.5 4,-0.3 1,-0.2 -2,-0.2 0.927 108.7 44.5 -50.4 -54.4 0.1 16.0 97.0 363 459 A E H >< S+ 0 0 92 -4,-1.8 3,-2.1 1,-0.2 -1,-0.2 0.955 112.5 51.5 -57.4 -53.9 -2.4 16.4 94.0 364 460 A F H 3< S+ 0 0 7 -4,-2.5 -226,-0.8 1,-0.3 -1,-0.2 0.913 114.0 44.7 -49.0 -48.1 -1.3 20.1 93.4 365 461 A M T 3< S+ 0 0 29 -4,-2.9 -1,-0.3 -5,-0.2 -225,-0.2 0.388 90.8 101.2 -82.9 6.5 2.3 19.1 93.3 366 462 A T S < S- 0 0 56 -3,-2.1 2,-0.3 -4,-0.3 -228,-0.1 -0.795 78.5-122.5 -92.2 124.2 1.8 16.0 91.1 367 463 A P + 0 0 35 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.510 55.6 135.8 -66.7 126.6 2.7 16.6 87.5 368 464 A R - 0 0 22 -2,-0.3 -169,-0.0 -171,-0.0 -2,-0.0 -0.983 59.6 -72.6-166.8 159.8 -0.4 15.9 85.4 369 465 A K - 0 0 164 -2,-0.3 2,-0.4 1,-0.1 -169,-0.2 -0.223 53.9-136.6 -54.1 144.8 -2.6 17.0 82.5 370 466 A L - 0 0 11 -170,-0.3 -235,-0.2 2,-0.2 -236,-0.1 -0.910 21.5 -99.1-118.4 144.1 -4.7 20.0 83.5 371 467 A S S S+ 0 0 76 -237,-2.0 2,-1.6 -2,-0.4 -236,-0.1 0.665 113.6 61.8 -14.3 -69.9 -8.3 20.9 83.0 372 468 A F 0 0 116 -238,-0.2 -2,-0.2 1,-0.1 -1,-0.2 -0.576 360.0 360.0 -74.6 94.2 -7.7 23.2 80.0 373 469 A D 0 0 174 -2,-1.6 -1,-0.1 -4,-0.1 -2,-0.1 -0.098 360.0 360.0 -60.9 360.0 -6.2 20.6 77.7 374 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 375 479 A W 0 0 39 0, 0.0 -309,-0.2 0, 0.0 -276,-0.0 0.000 360.0 360.0 360.0 360.0 11.9 33.9 93.4