==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/RNA 06-JUL-11 3SQX . COMPND 2 MOLECULE: ATP-DEPENDENT RNA HELICASE MSS116, MITOCHONDRIAL; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE S288C; . AUTHOR M.DEL CAMPO,A.M.LAMBOWITZ . 508 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22102.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 367 72.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 78 15.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 0 0.0 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 . 30 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 180 35.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.2 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 1 2 3 1 1 1 1 3 0 1 1 3 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 7 4 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 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 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 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 88 A S 0 0 108 0, 0.0 2,-0.3 0, 0.0 236,-0.2 0.000 360.0 360.0 360.0-169.3 96.7 35.2 25.3 2 89 A K E -a 237 0A 56 234,-0.7 236,-2.4 2,-0.0 2,-0.5 -0.999 360.0-136.1-143.3 139.3 94.4 35.4 28.3 3 90 A L E -a 238 0A 45 -2,-0.3 2,-0.7 234,-0.2 236,-0.2 -0.827 10.5-164.3-102.9 123.4 90.8 34.5 28.9 4 91 A I E -a 239 0A 66 234,-2.8 236,-3.0 -2,-0.5 2,-0.2 -0.897 13.8-152.9-107.2 103.9 88.3 36.8 30.7 5 92 A H E -a 240 0A 101 -2,-0.7 236,-0.2 234,-0.2 234,-0.0 -0.483 14.5-175.9 -72.9 143.3 85.2 34.9 31.8 6 93 A V E -a 241 0A 54 234,-2.1 236,-1.8 -2,-0.2 3,-0.1 -0.704 19.9-167.1-137.4 83.8 81.9 36.8 32.2 7 94 A P - 0 0 94 0, 0.0 2,-0.5 0, 0.0 238,-0.1 0.085 35.7 -65.3 -70.5-179.4 79.4 34.2 33.5 8 95 A K - 0 0 106 236,-0.2 2,-0.2 233,-0.1 235,-0.1 -0.546 53.4-149.2 -73.6 117.5 75.6 34.4 33.8 9 96 A E - 0 0 61 -2,-0.5 3,-0.2 -3,-0.1 -1,-0.0 -0.491 8.1-132.7 -87.9 157.9 74.5 37.2 36.3 10 97 A D S S+ 0 0 108 1,-0.2 2,-0.3 -2,-0.2 -1,-0.1 0.996 91.1 5.8 -73.6 -78.5 71.3 37.1 38.5 11 98 A N S S+ 0 0 102 2,-0.0 2,-0.2 3,-0.0 -1,-0.2 -0.426 80.6 171.3-108.9 55.2 69.5 40.4 38.3 12 99 A S - 0 0 73 -2,-0.3 3,-0.1 -3,-0.2 2,-0.0 -0.474 45.7 -97.4 -69.9 132.7 71.6 42.2 35.6 13 100 A K - 0 0 92 -2,-0.2 -1,-0.1 1,-0.1 -2,-0.0 -0.268 47.9-105.9 -56.3 125.2 70.0 45.5 34.4 14 101 A E - 0 0 133 1,-0.1 2,-0.4 -3,-0.1 -1,-0.1 -0.171 28.4-146.6 -57.4 139.7 68.0 44.9 31.2 15 102 A V + 0 0 35 27,-0.1 27,-0.4 -3,-0.1 2,-0.2 -0.927 22.3 176.6-107.7 133.4 69.5 46.1 28.0 16 103 A T > - 0 0 43 -2,-0.4 4,-1.9 25,-0.1 5,-0.1 -0.771 45.9-106.9-126.7 173.4 67.2 47.3 25.2 17 104 A L H > S+ 0 0 24 -2,-0.2 4,-1.8 2,-0.2 9,-0.2 0.908 121.7 51.9 -64.3 -43.1 67.4 48.9 21.8 18 105 A D H > S+ 0 0 110 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.945 110.3 47.6 -57.2 -51.9 66.2 52.2 23.3 19 106 A S H > S+ 0 0 49 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.883 111.4 50.1 -58.5 -42.5 68.9 52.1 26.0 20 107 A L H <>S+ 0 0 2 -4,-1.9 6,-1.8 2,-0.2 5,-0.8 0.832 109.8 52.6 -67.9 -30.3 71.7 51.3 23.5 21 108 A L H ><5S+ 0 0 61 -4,-1.8 3,-1.3 4,-0.2 -2,-0.2 0.951 111.0 44.6 -67.5 -51.3 70.6 54.2 21.3 22 109 A E H 3<5S+ 0 0 94 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.830 108.2 60.1 -61.7 -33.2 70.7 56.8 24.1 23 110 A E T 3<5S- 0 0 97 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.571 113.4-115.1 -74.6 -10.7 74.1 55.4 25.3 24 111 A G T < 5S+ 0 0 61 -3,-1.3 -3,-0.1 -4,-0.4 -2,-0.1 0.207 90.8 106.7 95.6 -13.9 75.7 56.2 21.9 25 112 A V S - 0 0 66 -2,-0.4 4,-1.8 1,-0.1 3,-0.5 -0.409 31.2-107.9 -74.9 159.3 73.0 54.7 15.6 28 115 A K H > S+ 0 0 53 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.822 113.8 62.2 -58.0 -33.9 69.3 55.6 14.9 29 116 A E H > S+ 0 0 66 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.859 109.0 37.0 -69.7 -36.8 69.4 53.7 11.6 30 117 A I H > S+ 0 0 0 -3,-0.5 4,-2.1 2,-0.2 5,-0.3 0.825 114.5 57.2 -82.4 -32.8 70.1 50.2 13.0 31 118 A H H X S+ 0 0 26 -4,-1.8 4,-2.8 1,-0.2 -2,-0.2 0.926 109.3 46.3 -57.6 -46.8 67.8 50.9 16.1 32 119 A K H X S+ 0 0 77 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.865 109.3 55.2 -64.5 -39.6 65.0 51.7 13.7 33 120 A A H < S+ 0 0 0 -4,-1.2 4,-0.3 2,-0.2 -2,-0.2 0.954 116.4 35.2 -58.4 -53.7 65.7 48.5 11.6 34 121 A I H >< S+ 0 0 3 -4,-2.1 3,-2.0 1,-0.2 5,-0.5 0.915 112.8 58.7 -70.6 -43.3 65.5 46.2 14.5 35 122 A T H >< S+ 0 0 65 -4,-2.8 3,-2.0 -5,-0.3 -1,-0.2 0.912 100.4 59.4 -52.4 -43.8 62.7 48.1 16.3 36 123 A R T 3< S+ 0 0 129 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.620 88.4 72.3 -62.2 -15.7 60.5 47.6 13.2 37 124 A M T < S- 0 0 35 -3,-2.0 -1,-0.3 -4,-0.3 -2,-0.2 0.544 99.2-135.7 -76.8 -6.9 60.8 43.8 13.6 38 125 A E < + 0 0 179 -3,-2.0 -2,-0.1 -4,-0.3 -3,-0.1 0.806 39.8 167.0 56.3 38.0 58.4 44.1 16.6 39 126 A F - 0 0 95 -5,-0.5 -1,-0.2 -4,-0.2 3,-0.1 -0.593 46.5-120.5 -75.0 144.8 60.4 41.7 18.9 40 127 A P S S- 0 0 148 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.884 79.2 -50.0 -54.9 -41.6 59.3 41.9 22.6 41 128 A G S S- 0 0 30 -25,-0.1 2,-0.3 -24,-0.0 -25,-0.1 -0.929 78.3 -52.9-170.4-172.5 62.8 42.9 23.5 42 129 A L - 0 0 9 -27,-0.4 -27,-0.1 -2,-0.3 28,-0.0 -0.641 57.3-119.1 -78.7 136.9 66.5 41.9 23.0 43 130 A T > - 0 0 39 -2,-0.3 4,-2.9 27,-0.1 5,-0.2 -0.242 32.8 -99.1 -68.4 164.4 67.3 38.2 23.8 44 131 A P H > S+ 0 0 84 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.913 123.7 48.7 -55.6 -45.7 69.8 37.5 26.6 45 132 A V H > S+ 0 0 1 24,-0.4 4,-2.0 2,-0.2 5,-0.2 0.896 112.9 48.7 -63.9 -37.5 72.7 36.8 24.2 46 133 A Q H > S+ 0 0 9 23,-0.4 4,-1.7 1,-0.2 -1,-0.2 0.950 110.4 51.0 -63.1 -47.8 71.9 40.1 22.3 47 134 A Q H < S+ 0 0 49 -4,-2.9 4,-0.3 1,-0.2 -2,-0.2 0.866 116.6 42.3 -53.8 -37.3 71.7 42.0 25.6 48 135 A K H < S+ 0 0 50 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.774 119.4 35.6 -85.0 -30.8 75.1 40.6 26.5 49 136 A T H X S+ 0 0 1 -4,-2.0 4,-2.5 -3,-0.2 5,-0.2 0.704 92.5 80.2-103.3 -22.8 77.2 40.8 23.4 50 137 A I H X S+ 0 0 1 -4,-1.7 4,-1.6 -5,-0.2 -3,-0.1 0.907 100.9 35.1 -62.0 -49.0 76.2 43.9 21.4 51 138 A K H > S+ 0 0 104 -4,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.931 117.2 52.3 -73.8 -45.7 78.2 46.6 23.4 52 139 A P H 4 S+ 0 0 30 0, 0.0 -2,-0.2 0, 0.0 -1,-0.2 0.877 109.8 50.2 -56.9 -35.4 81.3 44.3 24.1 53 140 A I H < S+ 0 0 2 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.938 117.3 40.2 -66.0 -43.3 81.5 43.5 20.4 54 141 A L H < S+ 0 0 27 -4,-1.6 -1,-0.2 -5,-0.2 -3,-0.1 0.612 91.6 120.0 -79.3 -12.3 81.4 47.2 19.4 55 142 A S S < S- 0 0 27 -4,-1.6 4,-0.2 1,-0.1 -4,-0.0 -0.061 72.3-121.9 -61.3 158.5 83.6 48.4 22.3 56 143 A S S S+ 0 0 124 2,-0.1 -1,-0.1 0, 0.0 -3,-0.0 0.457 77.2 112.6 -80.1 -3.5 86.9 50.2 21.7 57 144 A E S S- 0 0 110 -5,-0.1 2,-1.3 1,-0.1 0, 0.0 -0.308 77.8-115.6 -71.2 156.4 88.9 47.6 23.6 58 145 A D + 0 0 89 -2,-0.0 179,-0.7 155,-0.0 178,-0.5 -0.591 68.3 125.6 -95.6 70.7 91.3 45.3 21.8 59 146 A H E -b 237 0A 3 -2,-1.3 179,-0.2 -4,-0.2 2,-0.2 -0.947 54.8-135.2-132.4 150.4 89.6 41.9 22.3 60 147 A D E -b 238 0A 2 177,-1.8 179,-2.1 -2,-0.3 2,-0.4 -0.534 31.1-135.4 -83.9 163.9 88.2 38.9 20.6 61 148 A V E -bc 239 215A 1 153,-2.5 155,-2.5 -2,-0.2 2,-0.4 -0.992 18.4-172.1-130.0 133.8 84.8 37.6 21.7 62 149 A I E -bc 240 216A 0 177,-2.7 179,-3.1 -2,-0.4 2,-0.4 -0.995 14.9-173.5-117.8 133.0 83.5 34.1 22.4 63 150 A A E -bc 241 217A 0 153,-3.1 155,-1.6 -2,-0.4 2,-0.4 -0.990 11.8-168.9-132.8 129.8 79.7 33.7 23.1 64 151 A R E +bc 242 218A 17 177,-1.8 179,-1.9 -2,-0.4 2,-0.3 -0.966 19.9 152.6-113.0 132.1 77.6 30.8 24.2 65 152 A A - 0 0 0 153,-1.0 3,-0.1 -2,-0.4 4,-0.1 -0.977 43.6 -95.3-153.6 151.1 73.9 30.8 24.1 66 153 A K > - 0 0 14 -2,-0.3 3,-1.2 1,-0.2 5,-0.2 -0.045 54.4 -75.2 -66.9 163.4 71.2 28.1 23.7 67 154 A T T 3 S+ 0 0 3 183,-0.4 -1,-0.2 1,-0.2 316,-0.1 -0.253 113.5 14.8 -58.6 142.7 69.6 27.0 20.5 68 155 A G T 3 S+ 0 0 11 314,-0.1 315,-1.9 -3,-0.1 -1,-0.2 0.631 89.5 115.5 68.1 20.7 66.9 29.4 19.0 69 156 A T S < S- 0 0 28 -3,-1.2 -24,-0.4 313,-0.1 -23,-0.4 0.180 89.7 -92.8-110.9 19.6 67.8 32.4 21.2 70 157 A G > + 0 0 24 -25,-0.1 4,-1.3 -26,-0.1 3,-0.1 0.796 64.9 151.8 87.6 32.7 69.0 34.9 18.6 71 158 A K H > S+ 0 0 22 -5,-0.2 4,-1.1 1,-0.2 5,-0.2 0.866 70.4 65.7 -58.1 -34.6 72.8 34.5 18.2 72 159 A T H >> S+ 0 0 30 1,-0.2 4,-2.3 2,-0.2 3,-1.1 0.941 106.4 38.4 -57.5 -53.8 72.6 35.6 14.6 73 160 A F H 3> S+ 0 0 14 1,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.750 102.8 74.7 -69.5 -23.0 71.4 39.2 15.3 74 161 A A H 3< S+ 0 0 0 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.842 113.0 24.2 -53.8 -36.6 73.8 39.2 18.3 75 162 A F H S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.820 111.7 58.6 -67.2 -29.6 77.1 45.3 15.9 79 166 A I H X S+ 0 0 2 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.974 107.9 46.6 -62.5 -48.7 78.5 44.4 12.5 80 167 A F H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.895 110.8 53.3 -53.8 -42.7 76.1 46.9 11.0 81 168 A Q H X S+ 0 0 5 -4,-2.0 4,-3.3 1,-0.2 -1,-0.2 0.923 106.0 52.5 -61.9 -43.3 77.0 49.5 13.7 82 169 A H H X S+ 0 0 28 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.886 108.3 51.1 -60.3 -36.2 80.7 49.1 12.8 83 170 A L H < S+ 0 0 1 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.893 112.4 45.9 -68.7 -39.4 79.9 49.8 9.2 84 171 A I H >< S+ 0 0 16 -4,-2.2 3,-2.0 1,-0.2 -2,-0.2 0.955 110.0 54.3 -64.7 -49.7 78.0 52.9 10.1 85 172 A N H 3< S+ 0 0 99 -4,-3.3 -2,-0.2 1,-0.3 -1,-0.2 0.827 121.2 31.7 -51.0 -37.0 80.8 54.0 12.5 86 173 A T T >< S+ 0 0 26 -4,-1.6 3,-2.1 -5,-0.2 -1,-0.3 0.024 79.2 133.6-111.9 26.7 83.3 53.7 9.6 87 174 A K T < S+ 0 0 66 -3,-2.0 -1,-0.1 1,-0.3 -2,-0.1 0.710 72.0 50.3 -53.8 -28.7 80.9 54.6 6.7 88 175 A F T 3 S+ 0 0 156 -4,-0.2 2,-0.4 -3,-0.2 -1,-0.3 0.562 97.4 82.2 -88.9 -9.7 83.4 57.1 5.1 89 176 A D S < S- 0 0 101 -3,-2.1 4,-0.2 1,-0.2 -3,-0.1 -0.816 110.9 -21.4-102.0 135.6 86.4 54.6 5.1 90 177 A S S > S+ 0 0 45 -2,-0.4 3,-1.9 1,-0.2 -1,-0.2 0.821 76.3 173.0 41.7 48.7 87.1 51.9 2.5 91 178 A Q T 3 S+ 0 0 100 1,-0.3 -1,-0.2 -3,-0.3 4,-0.1 0.702 70.9 52.5 -68.9 -20.9 83.4 52.0 1.6 92 179 A Y T 3 S+ 0 0 152 2,-0.1 2,-0.3 58,-0.0 -1,-0.3 0.226 99.7 95.0 -92.8 15.4 83.8 49.6 -1.4 93 180 A M S < S- 0 0 39 -3,-1.9 2,-0.5 -4,-0.2 78,-0.1 -0.797 81.3-104.7-121.3 150.8 85.5 47.0 0.8 94 181 A V + 0 0 0 76,-2.0 79,-0.4 -2,-0.3 56,-0.2 -0.549 38.5 165.7 -73.0 117.8 84.7 43.9 2.8 95 182 A K + 0 0 7 55,-1.9 81,-2.2 -2,-0.5 80,-2.2 0.608 64.0 40.4-105.1 -23.8 84.8 44.8 6.6 96 183 A A E -de 151 176A 1 54,-1.9 56,-2.5 79,-0.2 2,-0.5 -0.995 59.3-170.1-133.6 132.5 83.0 41.7 8.0 97 184 A V E -de 152 177A 0 79,-1.9 81,-2.5 -2,-0.4 2,-0.5 -0.979 6.6-168.9-122.0 113.7 83.5 38.0 7.0 98 185 A I E -de 153 178A 0 54,-3.1 56,-2.3 -2,-0.5 2,-0.4 -0.916 6.5-163.3-108.1 127.5 81.0 35.5 8.5 99 186 A V E -de 154 179A 2 79,-3.0 81,-2.1 -2,-0.5 56,-0.2 -0.912 6.9-175.7-115.9 137.7 81.8 31.8 8.0 100 187 A A - 0 0 0 54,-2.5 81,-0.1 -2,-0.4 6,-0.1 -0.945 31.8-127.2-131.4 155.2 79.4 28.9 8.4 101 188 A P S S+ 0 0 17 0, 0.0 2,-0.3 0, 0.0 54,-0.1 0.604 92.8 41.6 -76.4 -17.0 79.7 25.0 8.3 102 189 A T S > S- 0 0 24 1,-0.1 4,-2.0 52,-0.1 5,-0.1 -0.977 74.7-130.3-131.2 154.1 76.9 24.5 5.7 103 190 A R H > S+ 0 0 80 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.887 108.3 53.2 -62.7 -42.8 75.8 26.4 2.6 104 191 A D H > S+ 0 0 5 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.839 108.3 50.0 -66.2 -36.2 72.2 26.6 3.7 105 192 A L H > S+ 0 0 2 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.915 110.5 49.8 -69.2 -42.5 73.1 28.2 7.0 106 193 A A H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.922 112.5 48.4 -57.1 -44.2 75.4 30.8 5.2 107 194 A L H X S+ 0 0 37 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.800 109.5 52.5 -69.2 -28.5 72.4 31.5 2.9 108 195 A Q H X S+ 0 0 11 -4,-1.4 4,-1.6 2,-0.2 -1,-0.2 0.895 107.2 51.3 -72.8 -41.2 70.1 31.8 5.9 109 196 A I H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.922 109.3 51.6 -61.4 -43.4 72.4 34.4 7.6 110 197 A E H X S+ 0 0 19 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.913 106.5 53.8 -55.8 -44.6 72.4 36.4 4.3 111 198 A A H X S+ 0 0 43 -4,-1.7 4,-1.5 1,-0.2 -1,-0.2 0.844 106.5 52.8 -63.1 -31.3 68.6 36.3 4.3 112 199 A E H X S+ 0 0 20 -4,-1.6 4,-1.2 2,-0.2 -1,-0.2 0.869 106.6 51.4 -71.0 -38.6 68.7 37.7 7.8 113 200 A V H X S+ 0 0 0 -4,-1.9 4,-2.0 1,-0.2 3,-0.2 0.876 107.9 54.1 -59.0 -39.2 70.9 40.6 6.6 114 201 A K H X S+ 0 0 109 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.857 102.3 56.7 -65.0 -33.6 68.3 41.1 3.9 115 202 A K H X S+ 0 0 96 -4,-1.5 4,-1.2 2,-0.2 -1,-0.2 0.824 105.9 50.8 -65.1 -32.3 65.6 41.4 6.6 116 203 A I H X S+ 0 0 0 -4,-1.2 4,-1.3 -3,-0.2 -2,-0.2 0.914 111.3 48.2 -69.6 -43.8 67.6 44.2 8.1 117 204 A H H < S+ 0 0 16 -4,-2.0 3,-0.5 1,-0.2 6,-0.3 0.918 109.1 53.6 -56.5 -46.4 67.8 45.9 4.7 118 205 A D H < S+ 0 0 97 -4,-2.7 3,-0.3 1,-0.2 -1,-0.2 0.790 108.3 49.9 -65.1 -28.2 64.0 45.4 4.2 119 206 A M H < S+ 0 0 69 -4,-1.2 2,-0.3 1,-0.3 -1,-0.2 0.719 126.0 23.4 -83.5 -24.0 63.2 47.2 7.5 120 207 A N >< - 0 0 9 -4,-1.3 3,-2.5 -3,-0.5 4,-0.3 -0.785 62.4-167.6-142.9 99.6 65.5 50.2 6.7 121 208 A Y G > S+ 0 0 177 1,-0.3 3,-1.1 -2,-0.3 4,-0.3 0.710 86.6 72.7 -58.0 -21.3 66.2 50.9 3.0 122 209 A G G 3 S+ 0 0 38 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.582 91.3 57.3 -68.9 -11.8 68.9 53.3 4.3 123 210 A L G X S+ 0 0 0 -3,-2.5 3,-2.2 -6,-0.3 -1,-0.2 0.539 77.7 90.9 -94.5 -10.5 71.0 50.3 5.3 124 211 A K T < S+ 0 0 97 -3,-1.1 -1,-0.2 -4,-0.3 -2,-0.1 0.806 71.8 73.4 -54.1 -31.0 71.1 48.8 1.8 125 212 A K T 3 S+ 0 0 134 -4,-0.3 2,-1.2 -3,-0.2 -1,-0.3 0.707 83.6 71.2 -56.6 -22.7 74.3 50.8 1.1 126 213 A Y S < S- 0 0 15 -3,-2.2 -1,-0.2 23,-0.1 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1,-0.2 -201,-0.3 0.908 109.9 48.0 -56.9 -44.1 73.4 -5.5 15.0 468 555 A I H >< S+ 0 0 0 -4,-2.1 3,-1.3 1,-0.2 4,-0.3 0.923 112.0 48.5 -65.0 -46.1 73.7 -2.7 12.3 469 556 A A H >< S+ 0 0 4 -4,-2.1 3,-1.8 1,-0.2 4,-0.4 0.818 100.3 65.8 -61.6 -35.7 74.6 -5.3 9.6 470 557 A S T 3X S+ 0 0 34 -4,-2.0 4,-1.9 1,-0.3 -1,-0.2 0.557 79.9 82.5 -67.5 -11.0 71.6 -7.5 10.6 471 558 A T H <> S+ 0 0 0 -3,-1.3 4,-2.8 -4,-0.3 -1,-0.3 0.875 82.6 63.5 -53.4 -38.5 69.5 -4.6 9.4 472 559 A Y H <> S+ 0 0 14 -3,-1.8 4,-1.7 -4,-0.3 -1,-0.2 0.924 105.3 41.8 -56.7 -48.7 70.0 -6.1 5.9 473 560 A G H 4>S+ 0 0 1 -4,-0.4 5,-2.3 8,-0.3 4,-0.3 0.858 111.4 56.0 -68.2 -37.8 68.2 -9.4 6.8 474 561 A V H ><5S+ 0 0 18 -4,-1.9 3,-1.6 3,-0.2 -2,-0.2 0.973 109.9 46.2 -54.4 -52.2 65.5 -7.5 8.7 475 562 A L H 3<5S+ 0 0 10 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.794 114.1 46.6 -66.6 -29.9 64.7 -5.5 5.6 476 563 A L T 3<5S- 0 0 63 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.371 113.6-121.6 -89.4 3.9 64.8 -8.5 3.3 477 564 A N T < 5S+ 0 0 114 -3,-1.6 -3,-0.2 -4,-0.3 -2,-0.1 0.754 86.6 99.3 61.1 30.1 62.6 -10.3 5.8 478 565 A D > < - 0 0 70 -5,-2.3 3,-1.4 -6,-0.2 -2,-0.1 -0.798 49.2-174.5-140.0 97.0 65.1 -13.2 6.4 479 566 A P T 3 S+ 0 0 108 0, 0.0 -5,-0.1 0, 0.0 -6,-0.1 0.344 79.6 64.8 -86.6 10.7 67.1 -12.5 9.5 480 567 A Q T 3 S+ 0 0 169 -7,-0.2 2,-0.1 2,-0.1 -6,-0.0 0.624 84.6 101.2 -85.0 -21.8 69.5 -15.5 9.0 481 568 A L < - 0 0 69 -3,-1.4 -8,-0.3 -8,-0.1 2,-0.3 -0.335 58.4-157.4 -79.1 142.4 70.7 -13.9 5.9 482 569 A K - 0 0 80 -10,-0.1 23,-0.2 -9,-0.1 22,-0.1 -0.794 34.9 -86.4-113.4 160.6 74.1 -12.0 5.9 483 570 A I E -n 505 0C 1 21,-1.5 23,-1.9 -2,-0.3 2,-0.4 -0.530 44.9-125.1 -69.5 118.7 75.3 -9.3 3.5 484 571 A P E +n 506 0C 58 0, 0.0 2,-0.3 0, 0.0 23,-0.2 -0.551 45.7 159.7 -69.5 123.0 76.8 -10.9 0.4 485 572 A V - 0 0 15 21,-2.9 23,-0.4 -2,-0.4 2,-0.2 -0.869 35.8-114.9-139.5 161.8 80.3 -9.6 -0.1 486 573 A S > - 0 0 66 -2,-0.3 4,-1.9 21,-0.1 3,-0.4 -0.638 27.1-115.7 -98.3 164.5 83.6 -10.6 -1.8 487 574 A R H > S+ 0 0 67 1,-0.2 4,-1.9 -2,-0.2 5,-0.2 0.895 113.5 55.2 -65.5 -43.4 87.0 -11.4 -0.2 488 575 A R H > S+ 0 0 82 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.724 109.0 50.3 -65.4 -23.3 88.9 -8.5 -1.6 489 576 A F H >> S+ 0 0 63 -3,-0.4 4,-1.4 2,-0.2 3,-0.5 0.929 108.2 49.9 -75.1 -51.7 86.2 -6.1 -0.1 490 577 A L H 3X>S+ 0 0 10 -4,-1.9 5,-1.6 1,-0.2 4,-0.5 0.791 107.7 55.1 -60.5 -31.0 86.4 -7.6 3.4 491 578 A D H ><5S+ 0 0 99 -4,-1.9 3,-0.6 1,-0.2 -1,-0.2 0.854 102.9 57.0 -66.8 -36.3 90.2 -7.3 3.4 492 579 A K H <<5S+ 0 0 153 -4,-0.7 -2,-0.2 -3,-0.5 -1,-0.2 0.867 104.9 50.5 -63.4 -38.1 89.8 -3.6 2.6 493 580 A L H 3<5S- 0 0 35 -4,-1.4 -1,-0.2 1,-0.0 -2,-0.2 0.612 110.7-123.7 -74.4 -14.8 87.7 -3.1 5.8 494 581 A G T <<5S+ 0 0 61 -3,-0.6 -3,-0.2 -4,-0.5 3,-0.1 0.765 84.0 105.7 77.4 28.4 90.4 -4.9 7.9 495 582 A L > < + 0 0 5 -5,-1.6 3,-1.6 1,-0.1 6,-0.3 0.186 33.7 112.9-120.4 13.0 87.9 -7.5 9.3 496 583 A S T 3 S+ 0 0 57 -6,-0.4 -5,-0.1 1,-0.3 -1,-0.1 0.708 90.2 33.7 -66.1 -21.9 89.0 -10.6 7.3 497 584 A R T 3 S+ 0 0 238 -3,-0.1 -1,-0.3 -6,-0.1 -2,-0.1 0.192 100.4 106.8-111.7 11.8 90.4 -12.4 10.4 498 585 A S <> - 0 0 27 -3,-1.6 4,-1.2 1,-0.1 5,-0.1 -0.739 62.3-149.3 -96.3 137.3 87.8 -10.9 12.8 499 586 A P H > S+ 0 0 107 0, 0.0 4,-1.5 0, 0.0 -1,-0.1 0.759 101.8 62.8 -65.8 -27.4 84.8 -12.8 14.3 500 587 A I H > S+ 0 0 26 1,-0.2 4,-0.7 2,-0.2 3,-0.2 0.922 105.8 43.8 -62.5 -45.2 82.9 -9.5 14.2 501 588 A G H > S+ 0 0 0 -6,-0.3 4,-2.1 1,-0.2 3,-0.2 0.777 107.8 59.2 -69.0 -30.2 83.2 -9.5 10.4 502 589 A K H < S+ 0 0 81 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.836 105.7 49.5 -65.6 -34.1 82.3 -13.2 10.2 503 590 A A H < S+ 0 0 56 -4,-1.5 -1,-0.2 -3,-0.2 -2,-0.2 0.666 117.2 40.5 -78.5 -19.6 78.9 -12.4 12.0 504 591 A M H < S+ 0 0 3 -4,-0.7 -21,-1.5 -3,-0.2 2,-0.4 0.805 112.4 48.9 -93.5 -38.0 78.1 -9.5 9.6 505 592 A F E < -n 483 0C 10 -4,-2.1 2,-0.4 -23,-0.2 -1,-0.2 -0.902 54.3-156.3-124.6 135.2 79.2 -10.7 6.2 506 593 A E E -n 484 0C 92 -23,-1.9 -21,-2.9 -2,-0.4 2,-1.1 -0.862 23.9-134.1 -99.7 140.5 78.8 -13.8 3.9 507 594 A I 0 0 99 -2,-0.4 -21,-0.1 -23,-0.2 -20,-0.1 -0.586 360.0 360.0 -97.9 71.7 81.5 -14.3 1.3 508 595 A R 0 0 143 -2,-1.1 -1,-0.2 -23,-0.4 -22,-0.1 0.984 360.0 360.0 -73.2 360.0 79.4 -15.1 -1.8