==== 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 HYDROLASE 16-MAR-05 1Z50 . COMPND 2 MOLECULE: HEMAGGLUTININ-NEURAMINIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SIMIAN VIRUS 5; . AUTHOR P.YUAN,T.B.THOMPSON,B.A.WURZBURG,R.G.PATERSON,R.A.LAMB,T.S.J . 448 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16561.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 292 65.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 160 35.7 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 . 6 1.3 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 . 49 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 23 5.1 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 0 0 1 0 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 3 1 2 1 4 2 5 1 1 3 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 3 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 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 1 118 A I 0 0 135 0, 0.0 55,-0.2 0, 0.0 54,-0.1 0.000 360.0 360.0 360.0 148.8 149.5 -19.8 -137.6 2 119 A N - 0 0 3 53,-1.7 82,-0.2 52,-0.3 5,-0.1 -0.145 360.0 -90.2 -60.6 156.3 151.5 -22.7 -136.3 3 120 A D >> - 0 0 58 80,-2.4 3,-2.3 1,-0.1 4,-1.7 -0.220 36.1-108.6 -63.3 154.9 152.8 -22.8 -132.7 4 121 A N T 34 S+ 0 0 126 1,-0.3 4,-0.4 2,-0.2 -1,-0.1 0.667 116.9 70.0 -59.6 -15.9 156.2 -21.3 -131.9 5 122 A R T 34 S+ 0 0 73 1,-0.1 410,-2.2 78,-0.1 411,-0.5 0.601 111.9 25.2 -78.4 -10.4 157.3 -24.9 -131.4 6 123 A Y T X4 S+ 0 0 0 -3,-2.3 3,-2.4 408,-0.2 407,-0.2 0.618 92.2 89.5-126.9 -21.6 157.0 -25.7 -135.1 7 124 A I T 3< S+ 0 0 31 -4,-1.7 3,-0.3 1,-0.3 -3,-0.1 0.753 100.4 39.5 -53.6 -24.1 157.4 -22.5 -137.1 8 125 A N T 3 S+ 0 0 93 -4,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.241 106.9 63.0-110.9 15.6 161.2 -23.1 -137.2 9 126 A G S < S+ 0 0 0 -3,-2.4 404,-2.7 404,-0.2 2,-0.4 0.031 77.5 112.2-125.5 28.2 161.3 -26.9 -137.7 10 127 A I B S+A 412 0A 15 -3,-0.3 270,-0.2 1,-0.2 402,-0.1 -0.834 74.5 1.6-111.5 141.5 159.6 -27.2 -141.0 11 128 A N S S+ 0 0 35 400,-0.5 269,-2.4 -2,-0.4 2,-0.3 0.955 96.0 115.9 54.1 64.4 160.9 -28.3 -144.4 12 129 A Q S S- 0 0 65 -3,-0.3 2,-0.7 267,-0.2 -1,-0.2 -0.923 75.3 -98.8-148.8 170.8 164.5 -29.1 -143.5 13 130 A F - 0 0 46 -2,-0.3 339,-0.2 1,-0.1 340,-0.1 -0.884 38.7-168.9 -92.9 117.3 167.0 -31.9 -143.2 14 131 A Y + 0 0 7 -2,-0.7 2,-0.3 337,-0.3 339,-0.2 0.743 57.2 45.7 -85.2 -22.6 166.8 -32.7 -139.5 15 132 A F B S-f 353 0B 22 337,-2.5 339,-0.6 2,-0.0 2,-0.2 -0.884 72.9-122.1-127.1 155.4 169.8 -34.9 -139.1 16 133 A S > - 0 0 57 -2,-0.3 4,-2.5 337,-0.1 3,-0.5 -0.501 39.9-103.2 -85.6 158.7 173.5 -35.1 -140.0 17 134 A I H > S+ 0 0 27 1,-0.3 4,-0.8 2,-0.2 -1,-0.1 0.892 124.7 51.4 -48.1 -44.8 174.9 -38.0 -142.0 18 135 A A H >4 S+ 0 0 59 1,-0.2 3,-0.5 2,-0.2 4,-0.4 0.881 110.7 47.4 -61.6 -40.7 176.4 -39.4 -138.7 19 136 A E H >4 S+ 0 0 69 -3,-0.5 3,-1.6 1,-0.2 429,-0.2 0.833 98.9 68.1 -71.3 -33.4 173.1 -39.1 -136.9 20 137 A G H >< S+ 0 0 0 -4,-2.5 3,-1.1 1,-0.3 -1,-0.2 0.813 92.4 62.4 -56.1 -29.3 171.1 -40.8 -139.7 21 138 A R T << S+ 0 0 145 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.768 105.3 45.2 -68.3 -25.9 172.9 -44.0 -138.8 22 139 A N T < S+ 0 0 98 -3,-1.6 426,-4.0 -4,-0.4 2,-0.3 -0.132 85.6 125.3-111.4 37.0 171.5 -44.1 -135.3 23 140 A L E < +B 447 0A 7 -3,-1.1 2,-0.3 424,-0.2 424,-0.2 -0.761 30.3 173.5-100.8 146.0 167.8 -43.3 -136.1 24 141 A T E -B 446 0A 50 422,-2.3 422,-2.5 -2,-0.3 2,-0.5 -0.982 33.3-104.8-147.9 153.4 164.8 -45.4 -135.1 25 142 A L E -B 445 0A 19 -2,-0.3 420,-0.2 420,-0.2 369,-0.1 -0.700 32.6-147.9 -84.7 122.6 161.0 -45.2 -135.1 26 143 A G E - 0 0 9 418,-3.3 3,-0.1 -2,-0.5 -1,-0.1 -0.130 37.9 -69.4 -76.9 179.9 159.2 -44.5 -131.9 27 144 A P E - 0 0 100 0, 0.0 417,-0.6 0, 0.0 2,-0.3 -0.275 59.2 -93.5 -68.0 156.7 155.8 -45.9 -130.9 28 145 A L E -B 443 0A 56 415,-0.2 2,-0.3 -3,-0.1 415,-0.2 -0.562 42.4-143.3 -74.4 133.3 152.7 -44.6 -132.7 29 146 A L E -B 442 0A 48 413,-3.0 2,-0.6 -2,-0.3 413,-0.5 -0.718 10.5-123.7 -98.0 149.4 151.2 -41.7 -130.7 30 147 A N + 0 0 146 -2,-0.3 411,-0.1 411,-0.1 413,-0.0 -0.852 40.3 154.5-100.9 116.7 147.5 -41.1 -130.5 31 148 A M - 0 0 17 -2,-0.6 2,-0.5 411,-0.0 61,-0.1 -0.869 55.0 -83.4-131.4 162.6 146.1 -37.8 -131.6 32 149 A P - 0 0 86 0, 0.0 61,-0.3 0, 0.0 2,-0.1 -0.580 53.7-120.9 -69.3 120.5 142.7 -36.7 -132.9 33 150 A S - 0 0 67 -2,-0.5 406,-0.0 1,-0.1 408,-0.0 -0.381 19.0-161.0 -63.5 137.7 142.8 -37.5 -136.6 34 151 A F + 0 0 13 -2,-0.1 -1,-0.1 2,-0.1 405,-0.1 0.274 67.5 91.9-101.6 8.0 142.2 -34.5 -138.8 35 152 A I S S- 0 0 6 403,-0.1 -2,-0.1 405,-0.0 25,-0.0 -0.922 80.5-123.0-106.9 116.0 141.3 -36.6 -141.8 36 153 A P - 0 0 45 0, 0.0 402,-0.3 0, 0.0 2,-0.2 -0.231 20.0-136.4 -62.2 142.8 137.5 -37.3 -142.1 37 154 A T - 0 0 76 400,-0.1 397,-0.1 1,-0.1 400,-0.1 -0.599 20.2-106.7 -97.6 154.7 136.0 -40.8 -142.2 38 155 A A - 0 0 14 398,-0.4 -1,-0.1 395,-0.2 27,-0.0 -0.412 18.4-149.7 -74.9 157.4 133.3 -42.2 -144.5 39 156 A T S S+ 0 0 128 -2,-0.1 -1,-0.1 394,-0.1 3,-0.0 0.223 74.1 57.7-115.7 14.8 129.9 -42.8 -142.9 40 157 A T S S- 0 0 50 1,-0.1 394,-1.6 25,-0.0 3,-0.5 -0.942 84.8-116.3-137.0 157.9 128.7 -45.7 -145.0 41 158 A P S S+ 0 0 86 0, 0.0 389,-0.1 0, 0.0 -1,-0.1 0.834 115.1 37.4 -64.6 -32.8 130.3 -49.2 -145.7 42 159 A E S S+ 0 0 75 392,-0.2 25,-2.8 23,-0.1 391,-0.1 0.429 85.1 121.3-100.9 0.1 130.8 -48.5 -149.4 43 160 A G - 0 0 5 -3,-0.5 392,-2.7 23,-0.2 2,-0.5 -0.397 53.1-145.7 -63.0 140.3 131.8 -44.8 -149.2 44 161 A a E +G 64 0C 3 20,-3.1 20,-2.8 23,-0.4 2,-0.5 -0.940 21.8 178.4-120.2 121.1 135.2 -44.3 -150.7 45 162 A T E +G 63 0C 4 -2,-0.5 2,-0.3 391,-0.3 18,-0.2 -0.970 28.0 145.1-115.4 115.9 137.8 -41.7 -149.5 46 163 A R E +G 62 0C 49 16,-2.1 16,-2.7 -2,-0.5 -2,-0.0 -0.929 31.4 45.3-145.8 171.5 141.0 -41.9 -151.6 47 164 A I E - 0 0 30 -2,-0.3 15,-0.3 14,-0.2 -1,-0.2 0.986 62.5-166.9 58.7 72.8 143.9 -39.9 -153.0 48 165 A P E - 0 0 0 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.424 10.3-165.8 -85.3 161.7 145.0 -37.6 -150.3 49 166 A S E -G 60 0C 0 11,-1.9 11,-1.8 -2,-0.1 2,-0.4 -0.976 7.3-171.5-145.3 134.5 147.4 -34.6 -150.7 50 167 A F E -G 59 0C 0 -2,-0.3 2,-0.4 9,-0.2 126,-0.3 -0.988 7.2-175.9-137.8 129.8 149.0 -32.8 -147.8 51 168 A S E -G 58 0C 8 7,-2.6 7,-3.0 -2,-0.4 2,-0.4 -0.983 4.1-173.9-126.5 129.7 151.1 -29.6 -147.6 52 169 A L E +G 57 0C 10 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.973 10.3 167.5-123.9 137.2 152.8 -28.2 -144.5 53 170 A T - 0 0 34 3,-2.8 -51,-0.1 -2,-0.4 -42,-0.1 -0.862 52.0 -83.6-140.4 173.4 154.5 -25.0 -144.2 54 171 A K S S+ 0 0 101 -2,-0.3 -52,-0.3 1,-0.2 -45,-0.1 0.871 126.3 30.9 -42.1 -49.5 156.0 -22.6 -141.7 55 172 A T S S- 0 0 50 1,-0.2 -53,-1.7 -54,-0.1 2,-0.3 0.849 127.1 -28.4 -86.3 -36.5 152.6 -21.0 -141.0 56 173 A H - 0 0 21 -55,-0.2 -3,-2.8 26,-0.1 2,-0.3 -0.943 53.8-106.2-163.5-175.8 150.0 -23.8 -141.6 57 174 A W E -GH 52 81C 0 24,-2.6 24,-1.9 -2,-0.3 2,-0.4 -0.921 16.5-153.8-127.6 153.3 149.0 -27.0 -143.3 58 175 A b E -GH 51 80C 0 -7,-3.0 -7,-2.6 -2,-0.3 2,-0.3 -0.969 14.0-177.3-124.9 141.4 146.6 -27.9 -146.1 59 176 A Y E +GH 50 79C 0 20,-3.1 20,-3.2 -2,-0.4 2,-0.3 -0.995 6.9 161.5-140.5 148.1 144.9 -31.3 -146.7 60 177 A T E +GH 49 78C 0 -11,-1.8 -11,-1.9 -2,-0.3 2,-0.3 -0.992 6.0 172.6-161.1 154.5 142.5 -32.8 -149.2 61 178 A H E - H 0 77C 2 16,-1.8 16,-2.5 -2,-0.3 2,-0.3 -0.981 33.6-100.3-160.0 160.6 141.2 -36.1 -150.6 62 179 A N E -GH 46 76C 12 -16,-2.7 -16,-2.1 -15,-0.3 2,-0.5 -0.644 27.3-158.5 -89.7 142.9 138.6 -37.4 -153.0 63 180 A V E -GH 45 75C 21 12,-3.3 12,-2.6 -2,-0.3 2,-0.4 -0.976 9.4-178.7-125.3 122.1 135.2 -38.8 -151.9 64 181 A I E -G 44 0C 6 -20,-2.8 -20,-3.1 -2,-0.5 3,-0.2 -0.967 22.4-142.4-117.0 134.3 133.1 -41.1 -154.0 65 182 A L S S+ 0 0 99 -2,-0.4 2,-0.5 1,-0.2 -1,-0.1 0.874 85.6 31.6 -66.2 -41.6 129.7 -42.2 -152.6 66 183 A N S S- 0 0 109 1,-0.1 3,-0.4 -23,-0.1 -1,-0.2 -0.917 120.7 -39.0-125.4 110.6 129.6 -45.8 -153.8 67 184 A G S S- 0 0 20 -25,-2.8 -23,-0.4 -2,-0.5 -1,-0.1 -0.033 79.2 -76.6 70.1-179.6 132.8 -47.8 -154.1 68 185 A a S S+ 0 0 39 -25,-0.1 2,-0.5 -3,-0.1 -1,-0.2 0.215 104.7 81.8-103.7 14.8 136.1 -46.4 -155.5 69 186 A Q + 0 0 170 -3,-0.4 2,-0.2 -5,-0.0 -3,-0.1 -0.975 47.0 122.2-124.0 124.5 135.2 -46.3 -159.1 70 187 A D - 0 0 49 -2,-0.5 58,-0.1 58,-0.1 -3,-0.0 -0.753 29.2-174.2-175.0 124.4 133.2 -43.6 -160.7 71 188 A H S S+ 0 0 70 -2,-0.2 3,-0.1 56,-0.1 35,-0.1 -0.044 87.1 48.0-117.0 32.4 134.2 -41.2 -163.5 72 189 A V S S+ 0 0 106 1,-0.3 2,-0.4 33,-0.1 34,-0.1 0.593 109.7 38.3-130.7 -47.6 131.1 -39.0 -163.3 73 190 A S + 0 0 50 33,-0.1 -1,-0.3 32,-0.0 2,-0.3 -0.949 57.5 125.2-124.7 134.4 130.7 -38.1 -159.6 74 191 A S - 0 0 5 -2,-0.4 2,-0.3 -10,-0.1 33,-0.3 -0.933 34.2-143.3-171.7 154.3 133.0 -37.3 -156.7 75 192 A N E -H 63 0C 21 -12,-2.6 -12,-3.3 -2,-0.3 2,-0.5 -0.852 16.9-133.5-121.7 159.5 133.4 -34.5 -154.2 76 193 A Q E -HI 62 101C 2 25,-2.1 25,-2.3 -2,-0.3 2,-0.4 -0.964 10.8-149.1-123.3 118.0 136.7 -33.2 -152.9 77 194 A F E -HI 61 100C 25 -16,-2.5 -16,-1.8 -2,-0.5 2,-0.4 -0.709 16.0-171.8 -85.4 127.9 137.2 -32.6 -149.2 78 195 A V E +HI 60 99C 0 21,-3.3 21,-2.8 -2,-0.4 2,-0.3 -0.958 6.8 173.5-122.1 141.8 139.6 -29.7 -148.3 79 196 A S E -HI 59 98C 1 -20,-3.2 -20,-3.1 -2,-0.4 2,-0.3 -0.976 5.1-177.9-144.4 151.9 140.9 -28.9 -144.9 80 197 A M E +HI 58 97C 3 17,-2.0 16,-2.9 -2,-0.3 17,-1.5 -0.994 18.5 115.4-154.6 148.9 143.4 -26.5 -143.4 81 198 A G E -HI 57 95C 4 -24,-1.9 -24,-2.6 -2,-0.3 2,-0.3 -0.909 44.4 -78.0-175.4-155.2 144.9 -25.6 -140.0 82 199 A I E - I 0 94C 14 12,-2.0 12,-2.7 -2,-0.3 2,-0.4 -0.807 29.4-114.2-131.9 170.9 147.9 -25.4 -137.7 83 200 A I E + I 0 93C 0 -2,-0.3 -80,-2.4 10,-0.2 10,-0.2 -0.906 34.4 170.9-109.9 133.8 150.1 -27.6 -135.4 84 201 A E E - I 0 92C 60 8,-1.9 8,-0.7 -2,-0.4 -82,-0.0 -0.998 33.4-105.7-143.9 143.0 150.1 -27.1 -131.7 85 202 A P E - I 0 91C 32 0, 0.0 2,-0.2 0, 0.0 5,-0.1 -0.312 27.7-145.2 -67.2 145.5 151.6 -29.1 -128.8 86 203 A T > - 0 0 44 4,-1.8 3,-2.2 -2,-0.0 6,-0.0 -0.585 34.4 -98.2-103.2 169.9 149.5 -31.2 -126.5 87 204 A S T 3 S+ 0 0 138 1,-0.3 -1,-0.0 -2,-0.2 0, 0.0 0.669 125.1 60.5 -64.9 -14.1 150.1 -31.7 -122.7 88 205 A A T 3 S- 0 0 69 2,-0.2 -1,-0.3 3,-0.0 0, 0.0 0.543 119.6-113.7 -86.5 -8.7 151.8 -35.0 -123.6 89 206 A G S < S+ 0 0 19 -3,-2.2 328,-0.1 1,-0.3 -2,-0.1 0.081 79.3 109.0 100.7 -24.4 154.2 -33.0 -125.6 90 207 A F S S- 0 0 36 1,-0.1 -4,-1.8 -5,-0.1 -1,-0.3 -0.436 71.2 -81.2 -90.4 165.1 153.3 -34.2 -129.1 91 208 A P E -I 85 0C 0 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.027 28.2-166.3 -58.9 157.8 151.5 -32.5 -132.0 92 209 A F E -I 84 0C 51 -8,-0.7 -8,-1.9 -61,-0.1 2,-1.1 -0.947 19.2-139.1-145.0 117.8 147.9 -31.9 -132.6 93 210 A F E -I 83 0C 2 -2,-0.3 2,-0.6 -61,-0.3 -10,-0.2 -0.739 22.2-155.9 -85.8 103.2 146.8 -30.8 -136.1 94 211 A R E -I 82 0C 113 -12,-2.7 -12,-2.0 -2,-1.1 2,-0.4 -0.712 5.8-141.8 -84.4 117.3 144.1 -28.2 -135.3 95 212 A T E +I 81 0C 56 -2,-0.6 -14,-0.3 -14,-0.2 3,-0.1 -0.658 24.2 173.1 -80.2 130.2 141.6 -27.8 -138.2 96 213 A L E + 0 0 53 -16,-2.9 2,-0.3 -2,-0.4 -15,-0.2 0.481 66.9 18.6-113.1 -9.5 140.6 -24.1 -138.6 97 214 A K E -I 80 0C 32 -17,-1.5 -17,-2.0 2,-0.0 2,-0.3 -0.972 59.2-164.4-160.9 148.0 138.6 -24.5 -141.8 98 215 A T E -I 79 0C 82 -2,-0.3 2,-0.3 -19,-0.2 -19,-0.2 -0.967 6.9-177.2-135.4 147.3 136.8 -27.2 -143.8 99 216 A L E -I 78 0C 18 -21,-2.8 -21,-3.3 -2,-0.3 2,-0.4 -0.995 12.8-165.4-145.5 145.8 135.5 -27.2 -147.3 100 217 A Y E -I 77 0C 103 -2,-0.3 2,-1.0 -23,-0.2 -23,-0.2 -0.839 13.0-154.1-135.6 94.3 133.7 -29.8 -149.3 101 218 A L E +I 76 0C 26 -25,-2.3 -25,-2.1 -2,-0.4 2,-0.4 -0.589 33.0 154.6 -71.1 102.9 133.7 -29.0 -153.1 102 219 A S + 0 0 66 -2,-1.0 -27,-0.1 -27,-0.2 4,-0.1 -0.877 19.7 114.4-134.7 98.3 130.5 -30.8 -154.1 103 220 A D S S- 0 0 100 -2,-0.4 3,-0.1 -29,-0.3 -1,-0.1 0.330 88.1 -85.8-150.3 9.1 129.0 -29.3 -157.3 104 221 A G S S+ 0 0 68 1,-0.3 2,-0.7 -30,-0.3 -29,-0.0 0.162 89.6 118.6 103.5 -22.6 129.0 -31.7 -160.2 105 222 A V - 0 0 30 1,-0.1 2,-1.8 -32,-0.0 -1,-0.3 -0.731 63.2-138.1 -81.7 119.3 132.5 -30.9 -161.4 106 223 A N - 0 0 5 -2,-0.7 20,-2.5 20,-0.2 2,-0.4 -0.537 25.0-173.7 -82.3 79.4 134.5 -34.2 -161.1 107 224 A R E +J 125 0D 6 -2,-1.8 2,-0.3 -33,-0.3 18,-0.2 -0.610 13.5 174.4 -75.0 124.1 137.8 -32.9 -159.8 108 225 A K E +J 124 0D 32 16,-2.6 16,-1.4 -2,-0.4 3,-0.1 -0.859 47.1 20.2-132.6 166.7 140.4 -35.7 -159.7 109 226 A S E S- 0 0 17 -2,-0.3 65,-0.8 1,-0.2 -1,-0.1 0.800 81.0-174.4 49.0 33.3 144.0 -36.5 -158.9 110 227 A c E - 0 0 2 -3,-0.1 2,-0.4 -63,-0.1 13,-0.2 -0.304 16.9-161.1 -65.1 139.3 144.2 -33.2 -157.0 111 228 A S E -J 122 0D 0 11,-2.5 11,-2.9 -3,-0.1 2,-0.3 -0.940 10.6-156.8-116.2 139.2 147.4 -31.9 -155.6 112 229 A I E -J 121 0D 0 -2,-0.4 65,-2.1 62,-0.4 2,-0.3 -0.870 9.6-174.0-119.9 154.4 147.3 -29.3 -152.9 113 230 A S E -J 120 0D 0 7,-1.9 7,-2.8 -2,-0.3 65,-0.1 -0.992 26.7-116.8-149.2 139.6 149.9 -26.7 -151.8 114 231 A T E +J 119 0D 5 63,-0.3 5,-0.2 -2,-0.3 -62,-0.1 -0.392 36.4 176.8 -67.2 146.9 150.2 -24.2 -149.0 115 232 A V E > -J 118 0D 1 3,-2.0 3,-2.4 -2,-0.1 2,-0.1 -0.961 47.9 -68.6-147.6 156.9 150.3 -20.6 -150.1 116 233 A P T 3 S- 0 0 73 0, 0.0 3,-0.1 0, 0.0 0, 0.0 -0.296 122.1 -0.6 -51.6 117.8 150.5 -17.3 -148.1 117 234 A G T 3 S- 0 0 44 1,-0.2 32,-3.1 31,-0.1 33,-0.4 0.576 133.6 -3.9 80.3 10.7 147.1 -17.1 -146.5 118 235 A G E < S-JK 115 148D 0 -3,-2.4 -3,-2.0 30,-0.3 2,-0.3 -0.956 82.5 -63.2 172.6-152.5 145.4 -20.3 -147.8 119 236 A b E -JK 114 147D 0 28,-2.3 28,-3.0 -2,-0.3 2,-0.5 -0.952 24.8-153.4-131.4 149.5 145.7 -23.3 -150.1 120 237 A M E -JK 113 146D 0 -7,-2.8 -7,-1.9 -2,-0.3 2,-0.4 -0.996 17.7-167.2-123.2 126.3 146.0 -23.7 -153.8 121 238 A M E -JK 112 145D 0 24,-3.4 24,-3.1 -2,-0.5 2,-0.5 -0.935 8.3-158.7-119.7 139.7 144.7 -26.9 -155.3 122 239 A Y E +JK 111 144D 1 -11,-2.9 -11,-2.5 -2,-0.4 2,-0.3 -0.965 23.7 155.0-119.0 125.5 145.3 -28.3 -158.8 123 240 A c E - K 0 143D 0 20,-2.8 20,-2.9 -2,-0.5 2,-0.3 -0.897 32.1-135.8-139.6 169.7 142.9 -30.8 -160.3 124 241 A F E -JK 108 142D 12 -16,-1.4 -16,-2.6 -2,-0.3 2,-0.8 -0.912 29.2-114.3-125.8 151.7 141.7 -32.0 -163.7 125 242 A V E -JK 107 141D 18 16,-2.5 16,-0.7 -2,-0.3 2,-0.4 -0.813 28.4-151.6 -95.9 112.5 138.1 -32.7 -164.5 126 243 A S + 0 0 12 -20,-2.5 -20,-0.2 -2,-0.8 4,-0.0 -0.673 29.9 158.0 -86.3 129.2 137.5 -36.4 -165.3 127 244 A T + 0 0 99 -2,-0.4 -1,-0.1 1,-0.2 -56,-0.1 0.203 66.4 20.1-131.2 11.5 134.6 -37.3 -167.6 128 245 A Q S S- 0 0 52 -58,-0.1 -1,-0.2 -56,-0.0 5,-0.1 -0.976 97.7 -58.6-171.1 164.4 135.7 -40.8 -168.7 129 246 A P >> - 0 0 54 0, 0.0 4,-1.0 0, 0.0 3,-0.8 -0.175 53.6-113.4 -53.8 145.9 137.9 -43.8 -167.8 130 247 A E H >> S+ 0 0 85 1,-0.3 3,-1.1 2,-0.2 4,-1.1 0.876 115.0 56.5 -48.4 -47.5 141.6 -42.9 -167.5 131 248 A R H >> S+ 0 0 91 1,-0.3 4,-1.2 2,-0.2 3,-0.6 0.878 101.5 57.1 -56.6 -38.8 142.6 -45.0 -170.5 132 249 A D H <> S+ 0 0 70 -3,-0.8 4,-2.1 1,-0.2 -1,-0.3 0.791 97.9 62.5 -63.6 -27.8 140.2 -43.1 -172.7 133 250 A D H << S+ 0 0 5 -3,-1.1 -1,-0.2 -4,-1.0 -2,-0.2 0.871 102.6 50.2 -65.9 -35.0 142.0 -39.9 -171.7 134 251 A Y H << S+ 0 0 1 -4,-1.1 -1,-0.2 -3,-0.6 -2,-0.2 0.817 111.7 47.2 -74.0 -27.5 145.1 -41.2 -173.4 135 252 A F H < S+ 0 0 100 -4,-1.2 2,-0.3 33,-0.1 -2,-0.2 0.826 95.3 83.0 -81.5 -32.4 143.4 -42.1 -176.6 136 253 A S S < S- 0 0 35 -4,-2.1 0, 0.0 1,-0.2 0, 0.0 -0.547 73.7-145.1 -73.3 131.7 141.5 -38.8 -176.9 137 254 A A S S+ 0 0 55 -2,-0.3 28,-0.5 2,-0.1 -1,-0.2 0.690 81.2 83.3 -70.3 -16.2 143.7 -36.2 -178.6 138 255 A A S S- 0 0 61 26,-0.1 -2,-0.1 27,-0.1 30,-0.1 -0.750 80.5-131.8 -91.1 134.1 142.1 -33.6 -176.4 139 256 A P - 0 0 32 0, 0.0 30,-0.2 0, 0.0 3,-0.1 -0.460 29.7 -98.2 -81.6 154.6 143.4 -33.2 -172.8 140 257 A P - 0 0 15 0, 0.0 2,-0.1 0, 0.0 -14,-0.1 -0.195 51.8 -84.5 -64.9 165.4 141.0 -33.1 -169.8 141 258 A E E -K 125 0D 75 -16,-0.7 -16,-2.5 18,-0.0 2,-0.4 -0.482 45.7-145.6 -71.7 142.8 140.0 -29.7 -168.4 142 259 A Q E +KL 124 158D 7 16,-0.6 16,-1.6 -18,-0.2 2,-0.3 -0.913 19.0 179.4-113.8 139.9 142.5 -28.3 -165.9 143 260 A R E -KL 123 157D 37 -20,-2.9 -20,-2.8 -2,-0.4 2,-0.4 -0.997 17.7-164.1-141.4 143.2 141.7 -26.2 -162.9 144 261 A I E -KL 122 156D 2 12,-1.8 12,-2.3 -2,-0.3 2,-0.4 -0.996 14.5-163.2-125.0 129.7 143.5 -24.6 -160.0 145 262 A I E -KL 121 155D 2 -24,-3.1 -24,-3.4 -2,-0.4 2,-0.5 -0.944 4.7-156.7-114.0 133.9 141.4 -23.4 -157.0 146 263 A I E -KL 120 154D 2 8,-3.2 8,-2.5 -2,-0.4 2,-0.6 -0.957 7.9-170.7-112.4 124.1 142.7 -21.0 -154.4 147 264 A M E -KL 119 153D 1 -28,-3.0 -28,-2.3 -2,-0.5 6,-0.2 -0.936 9.6-155.6-117.9 107.7 141.0 -21.2 -151.0 148 265 A Y E > -K 118 0D 37 4,-2.7 3,-1.9 -2,-0.6 -30,-0.3 -0.518 24.9-124.2 -83.3 150.6 141.9 -18.3 -148.7 149 266 A Y T 3 S+ 0 0 120 -32,-3.1 -31,-0.1 1,-0.3 -1,-0.1 0.688 112.9 66.9 -64.3 -19.0 141.7 -18.7 -144.9 150 267 A N T 3 S- 0 0 117 -33,-0.4 -1,-0.3 2,-0.1 3,-0.1 0.214 122.5-108.2 -85.1 13.1 139.5 -15.6 -145.1 151 268 A D S < S+ 0 0 102 -3,-1.9 2,-0.4 1,-0.3 -2,-0.2 0.624 73.6 138.3 67.9 20.5 137.0 -17.9 -146.9 152 269 A T - 0 0 63 -4,-0.0 -4,-2.7 2,-0.0 2,-0.4 -0.775 34.7-162.2 -91.3 139.5 137.3 -16.4 -150.4 153 270 A I E -L 147 0D 84 -2,-0.4 2,-0.5 -6,-0.2 -6,-0.2 -0.989 11.3-178.3-128.0 127.8 137.4 -19.1 -153.1 154 271 A V E -L 146 0D 22 -8,-2.5 -8,-3.2 -2,-0.4 2,-0.4 -0.985 3.9-175.1-126.5 119.7 138.7 -18.5 -156.6 155 272 A E E -L 145 0D 58 -2,-0.5 2,-0.3 -10,-0.2 -10,-0.2 -0.958 5.1-174.2-117.0 134.6 138.6 -21.3 -159.1 156 273 A R E -L 144 0D 109 -12,-2.3 -12,-1.8 -2,-0.4 2,-0.7 -0.949 26.2-134.8-128.9 148.4 140.0 -21.0 -162.6 157 274 A I E -L 143 0D 70 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.902 35.7-154.9 -97.8 113.7 140.1 -23.1 -165.7 158 275 A I E -L 142 0D 2 -16,-1.6 -16,-0.6 -2,-0.7 98,-0.2 -0.665 22.4-173.1 -96.8 150.8 143.7 -22.9 -166.9 159 276 A N - 0 0 117 96,-3.3 3,-0.1 -2,-0.3 96,-0.0 -0.703 16.3-167.8-136.9 77.6 145.1 -23.4 -170.4 160 277 A P > - 0 0 9 0, 0.0 3,-0.7 0, 0.0 4,-0.5 -0.373 31.9 -96.1 -69.5 150.7 148.9 -23.4 -170.1 161 278 A P T 3 S+ 0 0 73 0, 0.0 99,-0.5 0, 0.0 96,-0.0 -0.249 103.9 28.7 -62.9 153.1 150.8 -23.1 -173.4 162 279 A G T 3 S+ 0 0 50 2,-0.1 3,-0.1 -3,-0.1 97,-0.0 0.739 96.5 92.2 70.7 23.5 152.1 -26.3 -175.1 163 280 A V X> + 0 0 8 -3,-0.7 4,-2.8 3,-0.1 3,-2.2 0.763 61.3 79.1-110.3 -52.5 149.4 -28.5 -173.7 164 281 A L T 34 S+ 0 0 118 -4,-0.5 -2,-0.1 1,-0.3 -26,-0.1 -0.414 114.8 3.2 -63.2 125.0 146.7 -28.5 -176.4 165 282 A D T 34 S+ 0 0 108 -28,-0.5 -1,-0.3 2,-0.4 3,-0.1 0.541 128.6 66.7 74.5 9.4 147.8 -30.8 -179.2 166 283 A V T <4 S+ 0 0 32 -3,-2.2 27,-3.1 1,-0.4 2,-0.5 0.641 98.5 43.2-120.2 -49.5 150.9 -31.9 -177.3 167 284 A W E < -M 192 0E 3 -4,-2.8 -2,-0.4 25,-0.2 -1,-0.4 -0.876 56.8-164.5-104.3 128.5 149.5 -33.8 -174.3 168 285 A A E S+ 0 0 0 23,-2.9 2,-0.3 -2,-0.5 -1,-0.2 0.839 85.4 5.6 -76.4 -31.6 146.7 -36.2 -174.8 169 286 A T E -M 191 0E 0 22,-1.1 22,-0.6 -30,-0.2 2,-0.3 -0.962 63.5-168.2-145.8 162.0 146.2 -36.1 -171.0 170 287 A L E +M 190 0E 0 -2,-0.3 20,-0.2 20,-0.2 -7,-0.0 -0.926 11.1 177.1-156.0 124.3 147.6 -34.1 -168.1 171 288 A N E -M 189 0E 5 18,-3.0 18,-1.7 -2,-0.3 2,-0.2 -0.922 33.6-113.4-130.1 155.1 147.1 -34.8 -164.4 172 289 A P E -M 188 0E 0 0, 0.0 16,-0.3 0, 0.0 -48,-0.1 -0.588 34.3-121.9 -79.8 152.7 148.4 -33.4 -161.1 173 290 A G - 0 0 0 14,-3.5 101,-0.7 -2,-0.2 2,-0.6 0.410 30.4-129.7 -77.8 5.9 150.6 -35.9 -159.4 174 291 A T B S+r 274 0F 0 -65,-0.8 -62,-0.4 13,-0.3 -1,-0.1 0.067 76.7 110.6 68.6 -26.3 148.4 -35.9 -156.3 175 292 A G S S- 0 0 0 99,-1.6 -1,-0.2 -2,-0.6 -2,-0.2 -0.370 85.5 -79.1 -71.7 160.7 151.5 -35.3 -154.2 176 293 A S - 0 0 5 -126,-0.3 100,-2.6 -65,-0.2 -63,-0.2 -0.205 41.8-143.0 -61.1 149.8 151.8 -31.9 -152.6 177 294 A G - 0 0 0 -65,-2.1 -63,-0.3 -57,-0.2 2,-0.3 -0.383 18.3-130.8 -98.0-176.2 152.9 -29.0 -154.6 178 295 A V E -N 185 0E 12 7,-2.3 7,-3.4 -65,-0.1 2,-0.8 -0.978 8.4-124.7-141.9 154.8 155.1 -26.2 -153.2 179 296 A Y E +N 184 0E 81 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.878 39.6 173.2-100.4 109.2 155.3 -22.4 -153.0 180 297 A Y E > -N 183 0E 46 3,-2.8 3,-2.6 -2,-0.8 -2,-0.1 -0.973 59.8 -27.8-125.8 125.2 158.7 -21.4 -154.4 181 298 A L T 3 S- 0 0 120 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.823 126.9 -43.7 41.1 47.4 159.9 -17.9 -155.0 182 299 A G T 3 S+ 0 0 31 1,-0.2 68,-1.5 67,-0.1 2,-0.3 0.443 122.3 97.3 84.3 -1.0 156.4 -16.5 -155.6 183 300 A W E < -NO 180 249E 24 -3,-2.6 -3,-2.8 66,-0.2 2,-0.6 -0.881 68.0-132.7-119.7 152.4 155.2 -19.4 -157.8 184 301 A V E -NO 179 248E 0 64,-3.3 64,-3.0 -2,-0.3 2,-0.5 -0.925 24.0-159.8-105.0 124.5 153.2 -22.5 -156.9 185 302 A L E -NO 178 247E 2 -7,-3.4 -7,-2.3 -2,-0.6 62,-0.2 -0.900 8.6-174.2-107.3 129.7 154.8 -25.7 -158.3 186 303 A F E - O 0 246E 0 60,-2.7 60,-3.1 -2,-0.5 2,-0.3 -0.949 26.7-119.0-123.5 142.5 152.8 -28.9 -158.8 187 304 A P E + O 0 245E 0 0, 0.0 -14,-3.5 0, 0.0 -13,-0.3 -0.598 40.5 179.6 -77.2 139.0 154.0 -32.3 -159.9 188 305 A I E +MO 172 244E 0 56,-2.6 56,-2.3 -16,-0.3 84,-0.3 -0.892 13.9 173.3-134.9 166.8 152.3 -33.4 -163.2 189 306 A Y E +MO 171 243E 22 -18,-1.7 -18,-3.0 -2,-0.3 2,-0.3 -0.962 15.5 125.9-163.3 165.5 152.3 -36.4 -165.5 190 307 A G E -MO 170 242E 0 52,-1.6 52,-2.6 -2,-0.3 2,-0.5 -0.983 54.3 -57.4 167.4-162.6 150.4 -37.6 -168.6 191 308 A G E -MO 169 241E 0 -22,-0.6 -23,-2.9 -2,-0.3 -22,-1.1 -0.945 37.8-149.4-118.6 130.5 150.8 -38.8 -172.2 192 309 A V E -MO 167 240E 0 48,-2.6 48,-2.0 -2,-0.5 -25,-0.2 -0.725 23.3-112.5 -97.4 145.8 152.4 -36.9 -175.0 193 310 A I > - 0 0 28 -27,-3.1 3,-1.5 -2,-0.3 6,-0.4 -0.523 33.0-105.1 -79.6 138.9 151.4 -37.2 -178.6 194 311 A K T 3 S+ 0 0 152 44,-0.3 -1,-0.1 1,-0.2 3,-0.1 -0.325 102.8 25.6 -61.1 136.1 153.7 -38.8 -181.2 195 312 A G T 3 S+ 0 0 50 1,-0.3 -1,-0.2 2,-0.1 2,-0.1 0.326 89.0 127.1 93.6 -8.8 155.4 -36.3 -183.6 196 313 A T S <> S- 0 0 20 -3,-1.5 4,-2.9 -30,-0.1 -1,-0.3 -0.408 74.6-108.5 -79.4 158.8 155.2 -33.3 -181.2 197 314 A S H > S+ 0 0 87 2,-0.2 4,-3.5 1,-0.2 5,-0.3 0.920 121.3 51.4 -51.5 -48.8 158.3 -31.2 -180.4 198 315 A L H > S+ 0 0 26 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.963 110.1 48.9 -52.4 -56.8 158.4 -32.7 -176.9 199 316 A W H > S+ 0 0 38 -6,-0.4 4,-0.9 1,-0.2 -1,-0.2 0.918 115.1 45.0 -48.7 -51.1 158.2 -36.2 -178.3 200 317 A N H >< S+ 0 0 92 -4,-2.9 3,-0.5 1,-0.2 -1,-0.2 0.902 113.6 47.7 -63.6 -43.6 161.0 -35.5 -180.7 201 318 A N H 3< S+ 0 0 104 -4,-3.5 -1,-0.2 1,-0.2 -2,-0.2 0.774 114.3 49.3 -68.1 -24.1 163.2 -33.7 -178.2 202 319 A Q H >< S+ 0 0 10 -4,-2.3 3,-1.8 -5,-0.3 -1,-0.2 0.621 86.0 124.4 -89.0 -14.0 162.5 -36.6 -175.9 203 320 A A T << S+ 0 0 43 -4,-0.9 3,-0.1 -3,-0.5 -3,-0.1 -0.152 77.8 6.1 -52.8 135.6 163.4 -39.2 -178.5 204 321 A N T 3 S+ 0 0 113 1,-0.2 2,-0.3 24,-0.1 -1,-0.3 0.528 97.1 131.1 69.0 8.9 166.1 -41.7 -177.7 205 322 A K < + 0 0 58 -3,-1.8 2,-0.3 23,-0.1 -1,-0.2 -0.646 25.0 157.7 -92.2 150.9 166.3 -40.5 -174.1 206 323 A Y - 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