==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN/RECEPTOR 10-APR-99 1QA3 . COMPND 2 MOLECULE: TAILSPIKE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE P22; . AUTHOR U.BAXA,S.STEINBACHER,A.WEINTRAUB,R.HUBER,R.SECKLER . 542 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25701.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 391 72.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 171 31.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 52 9.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 1 0.2 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 . 60 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 21 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 1 0 1 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 4 15 4 2 5 2 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 3 0 0 0 3 2 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 . 2 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 113 A Y > 0 0 169 0, 0.0 4,-3.5 0, 0.0 5,-0.3 0.000 360.0 360.0 360.0 -43.7 48.8 45.9 41.2 2 114 A S H > + 0 0 77 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.887 360.0 50.4 -45.7 -48.7 50.3 43.9 44.1 3 115 A I H > S+ 0 0 120 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.920 115.6 42.3 -55.7 -49.5 53.7 44.1 42.3 4 116 A E H >> S+ 0 0 101 2,-0.2 4,-1.5 1,-0.2 3,-0.9 0.931 114.0 50.4 -63.9 -50.5 53.5 47.8 41.9 5 117 A A H >X S+ 0 0 14 -4,-3.5 4,-1.5 1,-0.3 3,-0.6 0.916 107.0 55.7 -55.4 -46.3 52.1 48.4 45.4 6 118 A D H 3< S+ 0 0 93 -4,-3.0 -1,-0.3 -5,-0.3 -2,-0.2 0.732 113.4 42.0 -59.4 -25.9 54.9 46.3 46.9 7 119 A K H << S+ 0 0 182 -3,-0.9 -1,-0.2 -4,-0.8 -2,-0.2 0.633 116.8 44.1 -97.6 -16.6 57.4 48.6 45.2 8 120 A K H << S+ 0 0 109 -4,-1.5 2,-0.3 -3,-0.6 -2,-0.2 0.558 96.6 77.7-108.3 -6.6 55.8 52.0 45.8 9 121 A F S < S- 0 0 112 -4,-1.5 2,-0.3 -5,-0.2 0, 0.0 -0.811 76.6-114.0-110.7 149.7 54.7 51.9 49.5 10 122 A K - 0 0 161 -2,-0.3 2,-0.4 1,-0.1 -2,-0.1 -0.586 35.6-125.2 -75.3 130.1 56.5 52.4 52.8 11 123 A Y + 0 0 103 -2,-0.3 20,-1.9 -5,-0.1 2,-0.3 -0.641 44.4 145.2 -84.2 132.9 56.5 49.2 54.9 12 124 A S E -a 31 0A 70 -2,-0.4 2,-0.3 18,-0.2 20,-0.2 -0.923 29.5-155.0-164.3 135.3 55.2 49.3 58.5 13 125 A V E -a 32 0A 22 18,-1.6 20,-2.9 -2,-0.3 2,-0.4 -0.822 16.8-143.5-109.3 155.2 53.2 46.9 60.7 14 126 A K E > -a 33 0A 86 -2,-0.3 3,-2.3 18,-0.2 20,-0.2 -0.975 16.1-128.3-126.7 138.2 51.1 48.2 63.6 15 127 A L G > S+ 0 0 0 18,-2.6 3,-2.2 -2,-0.4 19,-0.1 0.757 101.6 73.6 -51.9 -30.0 50.6 46.5 67.0 16 128 A S G 3 S+ 0 0 55 1,-0.3 -1,-0.3 17,-0.2 18,-0.1 0.674 92.5 57.5 -62.1 -15.3 46.8 46.7 66.7 17 129 A D G < S+ 0 0 91 -3,-2.3 -1,-0.3 2,-0.0 -2,-0.2 0.466 103.8 62.2 -92.5 -4.0 47.0 43.8 64.1 18 130 A Y < - 0 0 59 -3,-2.2 3,-0.1 -4,-0.2 4,-0.0 -0.872 67.6-142.3-127.2 155.1 48.8 41.5 66.5 19 131 A P S S+ 0 0 97 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.846 89.6 27.8 -79.4 -35.6 48.1 39.8 69.8 20 132 A T S > S- 0 0 52 1,-0.1 4,-1.5 18,-0.0 5,-0.1 -0.856 75.9-121.5-126.4 161.9 51.6 40.1 71.1 21 133 A L H > S+ 0 0 0 -2,-0.3 4,-2.6 1,-0.2 5,-0.1 0.857 113.0 57.8 -68.0 -35.8 54.5 42.5 70.6 22 134 A Q H > S+ 0 0 57 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.857 103.0 53.2 -63.5 -36.3 56.7 39.6 69.5 23 135 A D H > S+ 0 0 74 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.929 111.6 45.2 -64.6 -42.8 54.3 38.8 66.7 24 136 A A H X S+ 0 0 0 -4,-1.5 4,-1.4 1,-0.2 -2,-0.2 0.912 112.5 52.2 -63.6 -43.7 54.4 42.4 65.5 25 137 A A H < S+ 0 0 0 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.884 107.7 52.0 -59.0 -43.6 58.2 42.3 65.8 26 138 A S H < S+ 0 0 75 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.832 112.0 45.3 -63.8 -35.5 58.4 39.1 63.7 27 139 A A H < S+ 0 0 41 -4,-1.5 -1,-0.2 -5,-0.1 -2,-0.2 0.686 90.4 111.0 -81.8 -20.4 56.4 40.6 60.9 28 140 A A < + 0 0 2 -4,-1.4 4,-0.1 -3,-0.2 -16,-0.0 -0.226 30.1 163.8 -60.8 143.8 58.2 44.0 60.9 29 141 A V S S- 0 0 93 2,-0.5 23,-0.2 22,-0.1 -1,-0.1 0.629 77.6 -17.5-125.2 -44.8 60.4 44.9 57.9 30 142 A D S S+ 0 0 46 1,-0.5 24,-2.4 24,-0.1 2,-0.2 0.499 124.0 30.1-132.7 -71.4 61.1 48.7 58.2 31 143 A G E -ab 12 54A 8 -20,-1.9 -18,-1.6 22,-0.2 -1,-0.5 -0.658 52.8-168.0-101.5 157.1 58.6 50.5 60.4 32 144 A L E -ab 13 55A 2 22,-2.2 24,-2.4 -2,-0.2 2,-0.5 -0.950 9.6-159.6-142.1 116.0 56.7 49.3 63.5 33 145 A L E -ab 14 56A 39 -20,-2.9 -18,-2.6 -2,-0.4 2,-1.1 -0.875 9.6-152.8-102.2 126.6 53.9 51.5 64.9 34 146 A I E + b 0 57A 1 22,-2.9 24,-2.7 -2,-0.5 25,-0.2 -0.832 32.2 158.2 -96.6 96.1 52.8 51.1 68.5 35 147 A D + 0 0 55 -2,-1.1 2,-0.3 22,-0.1 -1,-0.1 0.297 53.3 45.7-107.1 8.4 49.2 52.2 68.0 36 148 A R S S- 0 0 79 24,-0.1 23,-0.2 -3,-0.1 22,-0.1 -0.990 92.5 -92.8-148.6 147.5 47.5 50.6 71.0 37 149 A D - 0 0 82 -2,-0.3 2,-0.5 21,-0.1 24,-0.2 -0.340 40.7-155.9 -59.6 140.3 48.3 50.4 74.7 38 150 A Y E -c 61 0A 14 22,-2.8 24,-3.0 -4,-0.1 2,-0.6 -0.980 7.6-151.7-128.6 120.2 50.2 47.2 75.4 39 151 A N E -c 62 0A 111 -2,-0.5 2,-0.3 22,-0.2 24,-0.2 -0.807 22.5-169.9 -90.2 121.0 50.2 45.6 78.8 40 152 A F - 0 0 13 22,-2.4 2,-0.3 -2,-0.6 24,-0.3 -0.772 18.0-126.7-111.6 157.0 53.4 43.6 79.3 41 153 A Y > - 0 0 160 -2,-0.3 3,-2.5 22,-0.1 2,-0.1 -0.748 43.4 -87.0 -98.8 150.7 54.5 41.2 82.0 42 154 A G T 3 S+ 0 0 49 -2,-0.3 25,-0.2 1,-0.3 23,-0.1 -0.347 117.2 18.8 -57.1 123.1 57.7 41.6 83.9 43 155 A G T 3 S+ 0 0 35 23,-2.8 -1,-0.3 1,-0.3 2,-0.2 0.421 80.8 158.5 95.4 -1.2 60.5 40.0 81.9 44 156 A E E < -d 67 0A 17 -3,-2.5 24,-3.0 22,-0.6 2,-0.4 -0.413 26.9-156.7 -59.5 123.0 58.6 39.9 78.6 45 157 A T E -d 68 0A 66 -2,-0.2 2,-0.5 22,-0.2 24,-0.2 -0.907 11.8-162.7-113.6 131.7 61.3 39.6 76.0 46 158 A V E -d 69 0A 0 22,-3.2 24,-2.7 -2,-0.4 2,-0.6 -0.940 6.0-155.3-114.7 129.5 61.1 40.7 72.3 47 159 A D E -d 70 0A 56 -2,-0.5 24,-0.2 22,-0.2 25,-0.1 -0.913 5.0-170.2-104.6 115.0 63.6 39.4 69.7 48 160 A F > - 0 0 1 22,-2.5 3,-2.0 -2,-0.6 25,-0.2 0.282 35.7-125.7 -90.8 10.7 63.8 41.8 66.7 49 161 A G T 3 - 0 0 54 1,-0.3 23,-0.2 21,-0.1 22,-0.1 0.660 59.6 -66.5 56.9 24.7 65.9 39.4 64.6 50 162 A G T 3 S+ 0 0 47 21,-3.0 -1,-0.3 1,-0.3 22,-0.2 0.558 91.9 152.8 75.7 8.9 68.7 41.8 63.9 51 163 A K < - 0 0 59 -3,-2.0 22,-3.0 20,-0.5 2,-1.1 -0.455 50.2-128.2 -76.0 142.0 66.4 44.0 61.9 52 164 A V + 0 0 82 -23,-0.2 2,-0.3 20,-0.2 22,-0.1 -0.779 45.8 177.5 -88.7 98.1 67.1 47.7 61.5 53 165 A L - 0 0 0 -2,-1.1 24,-2.1 20,-0.2 2,-0.6 -0.736 35.9-144.0-111.8 154.8 63.7 49.1 62.6 54 166 A T E -be 31 77A 58 -24,-2.4 -22,-2.2 -2,-0.3 2,-0.7 -0.950 23.2-163.9-113.1 106.3 62.1 52.4 63.1 55 167 A I E -be 32 78A 1 22,-3.2 24,-2.9 -2,-0.6 2,-0.6 -0.854 4.0-169.1 -98.6 116.2 59.7 52.1 66.0 56 168 A E E -be 33 79A 96 -24,-2.4 -22,-2.9 -2,-0.7 2,-0.5 -0.919 8.4-155.7-106.1 118.4 57.1 54.9 66.3 57 169 A C E +b 34 0A 14 22,-2.8 -22,-0.1 -2,-0.6 -24,-0.1 -0.851 30.4 156.5-103.0 126.7 55.2 54.9 69.5 58 170 A K + 0 0 153 -24,-2.7 2,-0.3 -2,-0.5 -1,-0.1 0.053 69.8 40.5-129.5 20.4 51.8 56.5 69.7 59 171 A A S S- 0 0 16 -23,-0.2 23,-0.5 -25,-0.2 2,-0.2 -0.883 87.4 -84.7-152.9-179.0 50.5 54.5 72.7 60 172 A K E - f 0 82A 68 -2,-0.3 -22,-2.8 21,-0.1 2,-0.6 -0.640 12.0-141.6-103.6 157.0 51.8 53.2 76.1 61 173 A F E -cf 38 83A 2 21,-2.5 23,-1.9 -2,-0.2 2,-0.5 -0.971 32.7-163.4-109.7 114.0 53.7 50.1 77.3 62 174 A I E +cf 39 84A 27 -24,-3.0 -22,-2.4 -2,-0.6 2,-0.2 -0.909 32.3 90.6-111.1 125.8 52.0 49.4 80.7 63 175 A G - 0 0 2 21,-2.4 2,-0.4 -2,-0.5 -22,-0.1 -0.853 64.3-105.7 166.7 158.4 53.4 47.1 83.4 64 176 A D S S+ 0 0 46 -24,-0.3 84,-0.2 -2,-0.2 2,-0.2 -0.840 88.9 25.6 -96.8 143.4 55.6 46.9 86.5 65 177 A G E S- g 0 148A 25 82,-2.8 84,-2.7 -2,-0.4 2,-0.4 -0.586 102.8 -32.1 102.4-168.6 58.9 45.4 85.7 66 178 A N E - g 0 149A 39 -2,-0.2 -23,-2.8 82,-0.2 2,-0.6 -0.775 31.3-161.0-104.2 137.4 61.0 45.2 82.6 67 179 A L E -dg 44 150A 0 82,-2.6 84,-2.8 -2,-0.4 2,-0.6 -0.974 28.5-149.6-107.9 115.3 60.0 44.9 78.9 68 180 A I E -dg 45 151A 10 -24,-3.0 -22,-3.2 -2,-0.6 2,-0.5 -0.829 14.3-167.5-102.1 120.9 63.1 43.6 77.2 69 181 A F E +dg 46 152A 2 82,-3.0 84,-2.4 -2,-0.6 2,-0.3 -0.910 18.2 174.7-102.7 124.8 64.0 44.5 73.6 70 182 A T E +dg 47 153A 20 -24,-2.7 -22,-2.5 -2,-0.5 -20,-0.2 -0.912 48.6 21.5-131.7 162.2 66.8 42.4 72.1 71 183 A K + 0 0 123 82,-0.6 -21,-3.0 -2,-0.3 -20,-0.5 0.866 66.9 163.0 51.5 47.1 68.6 41.9 68.8 72 184 A L - 0 0 10 -22,-0.2 84,-0.5 -23,-0.2 -1,-0.2 -0.780 41.3-112.8 -89.4 137.3 67.7 45.3 67.3 73 185 A G > - 0 0 8 -22,-3.0 3,-1.9 -2,-0.4 -20,-0.2 -0.336 37.7 -85.5 -71.9 155.7 69.9 46.0 64.3 74 186 A K T 3 S+ 0 0 157 1,-0.3 83,-0.2 -24,-0.2 84,-0.2 -0.399 118.5 34.0 -60.7 127.3 72.5 48.8 64.3 75 187 A G T 3 S+ 0 0 51 82,-2.7 -1,-0.3 1,-0.3 83,-0.2 0.369 83.0 145.5 106.2 -4.1 70.7 52.0 63.3 76 188 A S < - 0 0 2 -3,-1.9 83,-2.1 80,-0.3 2,-0.4 -0.380 30.3-160.7 -67.5 147.1 67.4 51.2 64.9 77 189 A R E -eh 54 159A 83 -24,-2.1 -22,-3.2 81,-0.2 2,-0.5 -0.995 12.4-165.7-136.1 134.7 65.4 54.1 66.4 78 190 A I E -eh 55 160A 0 81,-2.6 83,-3.3 -2,-0.4 2,-0.4 -0.988 16.8-173.4-119.6 122.2 62.6 54.1 69.0 79 191 A A E +eh 56 161A 9 -24,-2.9 -22,-2.8 -2,-0.5 83,-0.2 -0.962 57.4 3.1-124.7 137.1 60.6 57.3 69.2 80 192 A G S S+ 0 0 28 81,-2.6 82,-0.1 -2,-0.4 83,-0.1 0.547 73.3 169.9 76.8 10.3 57.9 58.5 71.6 81 193 A V - 0 0 0 80,-0.4 83,-2.7 -26,-0.1 2,-0.4 -0.225 15.6-162.2 -56.4 139.8 57.9 55.5 73.9 82 194 A F E -fi 60 164A 53 -23,-0.5 -21,-2.5 81,-0.2 2,-0.4 -0.963 2.2-164.6-131.8 113.1 55.9 55.9 77.1 83 195 A M E +fi 61 165A 0 81,-1.8 83,-2.4 -2,-0.4 2,-0.3 -0.810 11.9 173.1 -98.8 137.1 56.3 53.6 80.0 84 196 A E E -fi 62 166A 27 -23,-1.9 -21,-2.4 -2,-0.4 83,-0.2 -0.986 25.7-128.7-146.6 132.7 53.8 53.4 82.9 85 197 A S - 0 0 0 81,-1.2 -21,-0.2 -2,-0.3 63,-0.1 -0.249 8.9-140.3 -71.7 162.7 53.5 51.1 85.9 86 198 A T S S+ 0 0 80 -24,-0.1 2,-0.3 2,-0.0 -1,-0.1 0.715 85.6 74.5 -92.5 -28.6 50.3 49.3 86.7 87 199 A T - 0 0 56 29,-0.0 -2,-0.1 60,-0.0 -24,-0.1 -0.618 69.9-150.1 -86.0 142.7 50.9 49.9 90.4 88 200 A T - 0 0 61 -2,-0.3 28,-0.1 26,-0.0 -1,-0.0 -0.934 29.4-160.8-107.8 103.3 50.3 53.3 92.0 89 201 A P - 0 0 2 0, 0.0 26,-2.1 0, 0.0 2,-0.5 -0.212 24.2 -93.5 -83.6 175.6 52.8 53.4 94.9 90 202 A W E -G 114 0B 72 50,-0.3 2,-0.3 24,-0.2 24,-0.3 -0.772 48.5-171.9 -85.3 125.4 53.1 55.4 98.1 91 203 A V E -G 113 0B 0 22,-3.4 22,-1.5 -2,-0.5 2,-0.3 -0.912 17.0-142.7-123.2 150.8 55.4 58.4 97.5 92 204 A I B -H 120 0C 0 28,-2.6 28,-2.0 -2,-0.3 17,-0.1 -0.791 4.7-158.5-105.8 154.2 56.9 61.1 99.8 93 205 A K - 0 0 46 15,-0.4 2,-1.6 -2,-0.3 26,-0.1 -0.765 4.1-168.4-136.2 85.2 57.3 64.7 98.7 94 206 A P + 0 0 0 0, 0.0 8,-2.5 0, 0.0 2,-0.3 -0.099 59.8 75.0 -69.7 38.0 60.0 66.4 100.9 95 207 A W B S-I 101 0D 20 -2,-1.6 6,-0.2 6,-0.3 2,-0.1 -0.986 71.3-122.8-147.7 155.2 59.3 70.0 99.9 96 208 A T > - 0 0 36 4,-2.7 3,-2.2 -2,-0.3 6,-0.0 -0.335 35.1 -96.9 -93.2 177.2 56.6 72.7 100.6 97 209 A D T 3 S+ 0 0 167 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.616 129.2 52.5 -66.2 -14.3 54.2 74.7 98.6 98 210 A D T 3 S- 0 0 125 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.224 123.1-110.8-101.5 6.4 56.8 77.5 98.8 99 211 A N < + 0 0 64 -3,-2.2 2,-0.4 1,-0.2 -2,-0.1 0.859 67.9 148.2 64.3 37.1 59.4 75.0 97.5 100 212 A Q - 0 0 117 1,-0.0 -4,-2.7 0, 0.0 -1,-0.2 -0.837 51.7-112.8 -97.9 141.9 61.2 74.9 100.8 101 213 A W B -I 95 0D 31 -2,-0.4 2,-0.5 -6,-0.2 -6,-0.3 -0.515 21.4-139.4 -73.8 141.1 62.9 71.6 101.6 102 214 A L + 0 0 38 -8,-2.5 -1,-0.0 -2,-0.2 3,-0.0 -0.887 25.7 172.2 -98.1 130.3 61.4 69.6 104.5 103 215 A T + 0 0 65 -2,-0.5 2,-0.5 27,-0.0 -1,-0.1 0.547 46.8 99.7-113.6 -13.9 64.2 68.1 106.6 104 216 A D > - 0 0 94 1,-0.1 4,-2.2 26,-0.1 3,-0.3 -0.636 67.7-142.7 -79.4 122.2 62.2 66.8 109.5 105 217 A A H > S+ 0 0 8 -2,-0.5 4,-2.4 26,-0.4 5,-0.2 0.862 101.8 49.5 -50.1 -43.9 61.4 63.0 109.3 106 218 A A H > S+ 0 0 55 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.889 109.8 50.3 -66.6 -39.5 57.9 63.6 110.8 107 219 A A H 4 S+ 0 0 30 -3,-0.3 4,-0.3 1,-0.2 -1,-0.2 0.878 112.8 47.7 -66.2 -36.5 57.1 66.4 108.3 108 220 A V H >< S+ 0 0 0 -4,-2.2 3,-1.6 1,-0.2 -15,-0.4 0.900 108.1 53.1 -71.2 -40.9 58.2 64.2 105.4 109 221 A V H >< S+ 0 0 27 -4,-2.4 3,-1.7 1,-0.3 -1,-0.2 0.891 101.6 62.6 -61.2 -35.3 56.2 61.2 106.5 110 222 A A T 3< S+ 0 0 85 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.634 92.1 65.1 -64.8 -14.5 53.1 63.4 106.7 111 223 A T T < S+ 0 0 36 -3,-1.6 -1,-0.3 -4,-0.3 -2,-0.2 0.520 73.3 135.4 -85.9 -5.7 53.4 64.1 102.9 112 224 A L < + 0 0 36 -3,-1.7 2,-0.3 -4,-0.3 -20,-0.2 -0.114 21.3 147.2 -48.6 131.0 52.7 60.4 102.1 113 225 A K E -G 91 0B 59 -22,-1.5 -22,-3.4 2,-0.1 2,-0.6 -0.969 50.4-105.1-158.3 160.5 50.2 59.8 99.2 114 226 A Q E +G 90 0B 116 -2,-0.3 2,-0.3 -24,-0.3 -24,-0.2 -0.865 61.9 130.3 -94.7 121.7 49.6 57.2 96.5 115 227 A S - 0 0 28 -26,-2.1 -2,-0.1 -2,-0.6 3,-0.0 -0.974 60.1-132.2-165.0 157.5 50.6 58.7 93.2 116 228 A K S S+ 0 0 35 -2,-0.3 51,-0.5 -28,-0.1 2,-0.3 0.277 92.1 9.9 -97.2 7.9 52.7 57.9 90.1 117 229 A T S S+ 0 0 46 49,-0.1 -26,-0.1 1,-0.1 3,-0.1 -0.927 89.7 70.2-165.6-175.7 54.4 61.3 90.2 118 230 A D S S+ 0 0 51 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.904 111.1 20.8 55.6 46.0 55.0 64.5 92.2 119 231 A G S S- 0 0 1 -3,-0.1 98,-0.5 125,-0.1 2,-0.3 -0.902 81.4-113.0 154.2-177.6 57.1 62.6 94.7 120 232 A Y B -H 92 0C 1 -28,-2.0 -28,-2.6 -2,-0.3 69,-0.1 -0.981 28.1 -94.4-148.1 159.5 59.1 59.3 95.0 121 233 A Q - 0 0 0 -2,-0.3 -30,-0.2 -30,-0.2 21,-0.1 -0.586 49.5-113.1 -73.8 128.4 59.1 56.0 96.7 122 234 A P - 0 0 2 0, 0.0 22,-0.4 0, 0.0 2,-0.2 -0.294 38.7-176.4 -61.1 147.6 61.3 56.0 99.8 123 235 A T >> - 0 0 14 95,-0.1 3,-1.4 123,-0.1 4,-0.6 -0.786 45.7 -85.8-134.1 176.5 64.5 53.9 99.7 124 236 A V H >> S+ 0 0 107 1,-0.3 3,-1.0 -2,-0.2 4,-0.7 0.801 123.2 65.4 -59.6 -29.0 67.2 53.1 102.3 125 237 A S H >> S+ 0 0 19 1,-0.3 4,-2.2 2,-0.2 3,-0.7 0.827 94.6 60.6 -64.3 -27.0 69.1 56.3 101.3 126 238 A D H <> S+ 0 0 0 -3,-1.4 4,-2.6 1,-0.2 -1,-0.3 0.793 92.9 64.2 -68.6 -25.4 66.2 58.2 102.7 127 239 A Y H << S+ 0 0 44 -3,-1.0 5,-0.5 -4,-0.6 6,-0.2 0.823 110.3 39.0 -66.0 -29.3 66.8 56.6 106.1 128 240 A V H << S+ 0 0 105 -4,-0.7 -2,-0.2 -3,-0.7 -1,-0.2 0.864 115.9 50.6 -84.6 -44.3 70.2 58.5 106.1 129 241 A K H < S+ 0 0 40 -4,-2.2 -2,-0.2 1,-0.3 -3,-0.2 0.881 121.7 30.3 -64.0 -42.4 68.8 61.8 104.5 130 242 A F S >< S- 0 0 1 -4,-2.6 3,-2.2 -5,-0.1 -1,-0.3 -0.744 93.6-140.7-120.6 80.8 65.9 62.2 107.0 131 243 A P T 3 S+ 0 0 100 0, 0.0 -26,-0.4 0, 0.0 -3,-0.1 -0.117 82.6 19.3 -47.8 123.7 67.1 60.6 110.2 132 244 A G T >> S+ 0 0 39 -5,-0.5 4,-1.1 -27,-0.1 3,-0.5 0.282 87.5 112.4 99.0 -7.4 64.4 58.7 112.0 133 245 A I H <> + 0 0 0 -3,-2.2 4,-2.5 -7,-0.2 -6,-0.1 0.818 66.0 69.0 -67.0 -27.7 62.2 58.3 109.0 134 246 A E H 34 S+ 0 0 98 1,-0.2 -1,-0.2 -4,-0.2 -7,-0.1 0.901 105.7 38.9 -57.0 -42.5 62.9 54.5 109.0 135 247 A T H <4 S+ 0 0 116 -3,-0.5 -1,-0.2 1,-0.2 -2,-0.2 0.735 117.1 50.9 -82.7 -20.5 60.9 54.0 112.2 136 248 A L H < S+ 0 0 86 -4,-1.1 -2,-0.2 2,-0.1 -1,-0.2 0.772 85.6 96.4 -87.1 -28.9 58.2 56.6 111.3 137 249 A L S < S- 0 0 5 -4,-2.5 5,-0.1 -5,-0.1 -31,-0.0 -0.414 80.2-117.5 -64.7 134.2 57.3 55.3 107.8 138 250 A P > - 0 0 45 0, 0.0 3,-2.2 0, 0.0 4,-0.4 -0.417 28.5-111.3 -68.5 147.4 54.3 52.9 107.8 139 251 A P G > S+ 0 0 117 0, 0.0 3,-1.1 0, 0.0 -2,-0.1 0.795 115.1 60.3 -52.8 -31.9 55.1 49.4 106.6 140 252 A N G 3 S+ 0 0 97 1,-0.2 -50,-0.3 3,-0.0 -3,-0.0 0.602 103.9 51.7 -75.2 -5.5 53.2 49.7 103.3 141 253 A A G < S+ 0 0 0 -3,-2.2 3,-0.4 -52,-0.1 2,-0.3 0.422 96.4 88.6-104.8 -2.0 55.4 52.7 102.3 142 254 A K S < S+ 0 0 76 -3,-1.1 -19,-0.1 -4,-0.4 -52,-0.0 -0.751 90.4 6.4-102.9 144.9 58.7 50.8 102.9 143 255 A G S S+ 0 0 70 -2,-0.3 -1,-0.2 -21,-0.2 2,-0.1 0.733 78.0 162.6 63.9 26.2 60.6 48.7 100.5 144 256 A Q - 0 0 28 -22,-0.4 -1,-0.2 -3,-0.4 -3,-0.0 -0.439 19.9-172.3 -74.3 153.7 58.5 49.4 97.4 145 257 A N + 0 0 98 -2,-0.1 2,-0.5 -22,-0.0 -1,-0.1 -0.285 21.2 153.6-144.7 52.8 60.1 48.6 94.1 146 258 A I + 0 0 25 -82,-0.1 44,-2.1 2,-0.0 2,-0.3 -0.759 8.5 138.4 -93.2 121.2 57.8 50.0 91.3 147 259 A T - 0 0 6 -2,-0.5 -82,-2.8 42,-0.2 2,-0.8 -0.932 42.3-145.2-156.4 136.3 59.3 50.9 88.0 148 260 A S E -gj 65 168A 0 19,-2.8 21,-2.1 -2,-0.3 2,-0.5 -0.928 37.3-168.6-103.0 103.2 58.0 50.3 84.4 149 261 A T E -gj 66 169A 6 -84,-2.7 -82,-2.6 -2,-0.8 2,-0.7 -0.841 27.4-154.8-109.1 130.3 61.4 49.7 82.7 150 262 A L E -gj 67 170A 1 19,-2.5 21,-2.7 -2,-0.5 2,-0.5 -0.880 22.9-165.3 -94.3 114.5 62.3 49.5 79.0 151 263 A E E -gj 68 171A 2 -84,-2.8 -82,-3.0 -2,-0.7 2,-0.6 -0.923 11.2-164.7-107.6 122.6 65.4 47.4 78.9 152 264 A I E -gj 69 172A 2 19,-3.0 21,-2.9 -2,-0.5 2,-0.5 -0.942 21.0-156.5-101.1 120.9 67.5 47.4 75.7 153 265 A R E -gj 70 173A 74 -84,-2.4 -82,-0.6 -2,-0.6 21,-0.2 -0.907 54.0 -25.5-117.1 124.9 69.9 44.5 76.0 154 266 A E S S+ 0 0 141 19,-3.5 2,-0.3 -2,-0.5 -1,-0.2 0.873 90.8 143.3 48.4 50.5 73.2 43.9 74.3 155 267 A C - 0 0 5 18,-0.2 21,-1.7 -3,-0.2 2,-0.4 -0.734 38.3-147.8-113.1 163.4 72.4 46.1 71.3 156 268 A I B S+j 176 0E 83 -84,-0.5 -80,-0.3 -2,-0.3 -81,-0.2 -0.998 73.9 7.7-134.0 135.6 74.7 48.5 69.4 157 269 A G S S+ 0 0 12 19,-1.8 -82,-2.7 -2,-0.4 2,-0.4 0.857 82.4 144.5 65.7 39.1 73.8 51.7 67.7 158 270 A V - 0 0 0 18,-0.3 21,-1.5 -84,-0.2 2,-0.4 -0.925 30.3-161.1-109.9 132.4 70.2 52.0 69.0 159 271 A E E -hk 77 179A 54 -83,-2.1 -81,-2.6 -2,-0.4 2,-0.5 -0.927 8.7-157.6-117.5 141.1 68.7 55.4 69.8 160 272 A V E -hk 78 180A 0 19,-2.7 21,-3.1 -2,-0.4 2,-0.4 -0.975 18.9-167.6-116.1 118.8 65.7 56.2 72.0 161 273 A H E -hk 79 181A 22 -83,-3.3 -81,-2.6 -2,-0.5 -80,-0.4 -0.901 58.0 -7.6-115.0 139.1 64.1 59.6 71.2 162 274 A R S S+ 0 0 117 19,-2.3 21,-0.2 -2,-0.4 -1,-0.2 0.848 79.6 176.1 50.8 44.7 61.6 61.6 73.1 163 275 A A + 0 0 0 18,-0.3 21,-2.1 -3,-0.2 2,-0.2 -0.478 2.7 164.9 -77.6 149.0 60.8 59.0 75.6 164 276 A S E +i 82 0A 20 -83,-2.7 -81,-1.8 19,-0.2 2,-0.3 -0.794 2.1 138.1-147.1-171.6 58.5 59.7 78.5 165 277 A G E -i 83 0A 3 19,-0.3 22,-2.6 -83,-0.3 2,-0.4 -0.881 45.8 -91.4 153.6 178.5 56.5 57.9 81.2 166 278 A L E S-il 84 187A 47 -83,-2.4 -81,-1.2 -2,-0.3 22,-0.2 -0.999 109.6 -2.9-129.6 122.8 55.2 57.7 84.8 167 279 A M E S+ 0 0 1 20,-0.9 -19,-2.8 -51,-0.5 22,-0.2 0.852 105.7 165.2 60.0 36.2 57.2 55.6 87.2 168 280 A A E -jl 148 188A 0 19,-2.4 21,-0.9 -21,-0.2 2,-0.3 -0.537 25.9-177.0 -91.8 150.5 59.4 55.0 84.2 169 281 A G E -j 149 0A 0 -21,-2.1 -19,-2.5 -2,-0.2 2,-0.4 -0.982 12.3-156.3-143.0 150.2 62.9 53.7 83.7 170 282 A F E -jm 150 194A 3 23,-2.3 25,-2.5 22,-0.4 2,-0.5 -0.982 14.5-174.0-132.0 118.3 65.2 53.2 80.7 171 283 A L E -jm 151 195A 17 -21,-2.7 -19,-3.0 -2,-0.4 2,-0.7 -0.957 14.4-168.3-122.2 120.4 68.0 50.6 81.0 172 284 A F E -jm 152 196A 1 23,-3.1 25,-2.6 -2,-0.5 2,-0.6 -0.926 18.0-170.4-103.2 109.7 70.7 50.0 78.4 173 285 A R E -jm 153 197A 72 -21,-2.9 -19,-3.5 -2,-0.7 -18,-0.2 -0.920 68.2 -13.3-108.9 117.5 72.4 46.7 79.5 174 286 A G S S+ 0 0 17 23,-3.0 -1,-0.2 -2,-0.6 2,-0.2 0.762 100.0 147.3 67.9 25.0 75.6 45.7 77.8 175 287 A C - 0 0 0 22,-0.4 30,-0.3 -21,-0.2 2,-0.3 -0.537 31.2-166.1 -95.0 160.4 75.0 48.2 75.1 176 288 A H B +j 156 0E 28 -21,-1.7 -19,-1.8 -2,-0.2 -18,-0.3 -0.990 68.7 12.6-143.0 145.8 77.4 50.3 73.0 177 289 A F S S+ 0 0 84 28,-2.8 2,-0.3 -2,-0.3 30,-0.2 0.817 88.9 141.0 57.2 35.7 77.0 53.3 70.8 178 290 A C - 0 0 0 27,-0.2 30,-2.1 -21,-0.2 2,-0.4 -0.789 33.4-159.3-107.5 151.3 73.5 53.9 72.1 179 291 A K E -kn 159 208A 62 -21,-1.5 -19,-2.7 -2,-0.3 2,-0.7 -0.982 20.3-151.4-135.9 145.7 71.9 57.2 72.9 180 292 A M E -kn 160 209A 1 28,-2.7 30,-2.5 -2,-0.4 2,-0.5 -0.957 34.8-168.9-110.6 106.0 69.0 58.6 74.9 181 293 A V E -kn 161 210A 16 -21,-3.1 -19,-2.3 -2,-0.7 -18,-0.3 -0.877 52.6 -17.0-111.0 130.2 68.0 61.7 73.0 182 294 A D S S- 0 0 80 28,-2.8 30,-0.3 -2,-0.5 -1,-0.2 0.881 73.0-153.4 50.6 47.7 65.6 64.5 73.9 183 295 A A - 0 0 4 28,-0.5 30,-2.2 -3,-0.2 2,-1.6 -0.293 12.3-133.4 -51.5 125.4 63.9 62.6 76.8 184 296 A N E - o 0 213A 105 -21,-2.1 -19,-0.3 28,-0.2 -1,-0.1 -0.429 54.2 -77.8 -86.6 61.4 60.5 64.1 77.1 185 297 A N E - 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