==== 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 TRANSFERASE 03-OCT-06 2ILZ . COMPND 2 MOLECULE: POLIOVIRUS POLYMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN POLIOVIRUS 1; . AUTHOR A.A.THOMPSON,O.B.PEERSEN . 461 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21729.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 310 67.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 53 11.5 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 . 5 1.1 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 . 31 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 64 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 144 31.2 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+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 2 2 2 1 1 0 1 4 1 1 0 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 0 0 PARALLEL BRIDGES PER LADDER . 4 2 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 4 0 0 0 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 1 A G 0 0 0 0, 0.0 63,-2.7 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 139.3 218.7 -60.6 -14.6 2 2 A E E -A 283 0A 86 281,-2.0 281,-3.6 61,-0.2 2,-0.5 -0.963 360.0-124.6-154.5 134.4 219.7 -62.1 -18.0 3 3 A I E -A 282 0A 46 -2,-0.3 279,-0.3 59,-0.3 3,-0.1 -0.642 19.0-170.1 -79.1 124.5 223.0 -62.8 -19.9 4 4 A Q E - 0 0 83 277,-3.2 2,-0.3 -2,-0.5 -1,-0.2 0.896 66.7 -14.7 -80.6 -45.0 223.0 -61.0 -23.3 5 5 A W E -A 281 0A 103 276,-0.8 276,-2.5 2,-0.0 2,-0.3 -0.973 55.3-164.6-158.8 151.4 226.1 -62.7 -24.8 6 6 A M E +A 280 0A 61 -2,-0.3 274,-0.3 274,-0.2 272,-0.0 -0.992 22.8 148.8-142.8 131.5 229.1 -64.7 -23.6 7 7 A R E -A 279 0A 115 272,-3.6 272,-3.2 -2,-0.3 2,-0.1 -0.985 50.9 -56.9-158.7 166.9 232.3 -65.4 -25.4 8 8 A P E > -A 278 0A 36 0, 0.0 3,-1.1 0, 0.0 4,-0.3 -0.250 41.6-136.8 -50.9 118.3 236.1 -66.1 -25.2 9 9 A S T 3 >S+ 0 0 1 268,-3.0 5,-3.9 1,-0.3 3,-0.4 0.605 104.2 59.4 -53.2 -14.7 237.9 -63.2 -23.4 10 10 A K T > 5S+ 0 0 171 267,-0.3 3,-2.2 3,-0.2 -1,-0.3 0.889 89.9 67.9 -81.3 -42.3 240.6 -63.4 -26.1 11 11 A E T < 5S+ 0 0 115 -3,-1.1 -1,-0.2 1,-0.3 -2,-0.2 0.528 115.0 30.7 -53.8 -4.5 238.1 -62.6 -28.9 12 12 A V T 3 5S- 0 0 49 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.2 0.242 123.9 -91.1-140.7 12.8 237.8 -59.2 -27.2 13 13 A G T < 5S+ 0 0 60 -3,-2.2 -3,-0.2 1,-0.2 -2,-0.1 0.851 77.5 132.9 81.4 37.5 241.2 -58.5 -25.7 14 14 A Y < - 0 0 63 -5,-3.9 -1,-0.2 263,-0.1 -2,-0.2 -0.973 52.6-119.2-125.6 136.5 240.9 -59.9 -22.1 15 15 A P - 0 0 47 0, 0.0 2,-0.3 0, 0.0 -6,-0.0 -0.395 34.5-103.0 -70.5 143.5 243.3 -62.1 -20.2 16 16 A I - 0 0 105 -2,-0.1 2,-0.3 106,-0.1 261,-0.3 -0.508 37.5-134.9 -68.5 127.8 242.2 -65.5 -18.9 17 17 A I - 0 0 8 259,-3.4 2,-0.4 -2,-0.3 261,-0.1 -0.685 11.9-133.3 -88.4 137.6 241.5 -65.4 -15.1 18 18 A N - 0 0 143 -2,-0.3 258,-0.0 103,-0.2 -1,-0.0 -0.760 19.3-172.5 -93.9 132.3 242.8 -68.1 -12.8 19 19 A A - 0 0 29 -2,-0.4 24,-0.0 138,-0.0 138,-0.0 -0.979 35.4-110.2-125.5 117.5 240.5 -69.7 -10.3 20 20 A P - 0 0 98 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.219 25.2-153.8 -46.0 119.2 242.0 -72.1 -7.7 21 21 A S S S+ 0 0 87 2,-0.1 2,-0.4 23,-0.0 22,-0.2 0.559 72.8 69.3 -77.3 -6.2 240.5 -75.4 -8.8 22 22 A K S S- 0 0 174 21,-0.1 20,-0.0 20,-0.1 -1,-0.0 -0.938 83.5-119.5-119.9 135.7 240.8 -76.8 -5.3 23 23 A T - 0 0 44 -2,-0.4 -2,-0.1 1,-0.1 19,-0.0 -0.272 6.5-144.4 -66.4 152.1 238.8 -75.8 -2.2 24 24 A K S S+ 0 0 142 2,-0.0 2,-0.5 382,-0.0 -1,-0.1 0.420 72.1 104.0 -94.9 -0.7 240.6 -74.5 0.9 25 25 A L + 0 0 22 378,-0.1 380,-0.2 136,-0.1 -2,-0.1 -0.713 41.6 160.3 -88.7 125.2 238.1 -76.3 3.1 26 26 A E E -F 404 0B 114 378,-2.2 378,-1.5 -2,-0.5 -2,-0.0 -0.964 50.2 -75.9-139.1 154.0 239.2 -79.5 4.9 27 27 A P E -F 403 0B 64 0, 0.0 376,-0.3 0, 0.0 2,-0.2 -0.148 52.8-138.7 -49.4 142.3 237.8 -81.3 7.9 28 28 A S > - 0 0 16 374,-1.7 3,-3.2 1,-0.0 4,-0.3 -0.514 31.1 -89.3-101.9 171.7 238.6 -79.6 11.2 29 29 A A T 3 S+ 0 0 46 1,-0.3 3,-0.2 -2,-0.2 413,-0.1 0.681 131.8 46.7 -52.1 -17.6 239.7 -80.9 14.6 30 30 A F T 3> S+ 0 0 4 371,-0.5 4,-1.3 1,-0.1 3,-0.4 0.285 76.2 111.8-110.5 10.2 236.0 -81.0 15.3 31 31 A H T <4 S+ 0 0 23 -3,-3.2 -1,-0.1 1,-0.2 -2,-0.1 0.799 89.4 30.9 -53.7 -35.0 234.9 -82.7 12.1 32 32 A Y T 4 S+ 0 0 206 -4,-0.3 -1,-0.2 -3,-0.2 -2,-0.1 0.569 110.9 64.4-102.6 -10.8 233.9 -86.0 13.9 33 33 A V T 4 S+ 0 0 43 -3,-0.4 2,-0.3 -4,-0.1 -2,-0.2 0.669 107.1 45.6 -83.3 -18.4 232.9 -84.5 17.3 34 34 A F S < S- 0 0 8 -4,-1.3 2,-0.3 364,-0.1 -1,-0.0 -0.898 83.6-118.1-125.3 155.9 230.0 -82.7 15.6 35 35 A E + 0 0 172 -2,-0.3 2,-0.3 2,-0.0 367,-0.1 -0.696 42.4 143.8 -94.6 145.0 227.4 -83.6 13.1 36 36 A G - 0 0 21 -2,-0.3 360,-0.1 -5,-0.1 359,-0.0 -0.950 34.7-160.7-171.5 154.8 227.0 -82.0 9.7 37 37 A V + 0 0 104 -2,-0.3 128,-0.3 2,-0.0 2,-0.3 0.239 58.6 105.2-129.2 12.1 226.0 -82.8 6.2 38 38 A K - 0 0 65 126,-0.1 126,-0.2 127,-0.1 124,-0.1 -0.709 43.1-174.1 -98.1 148.6 227.5 -79.9 4.2 39 39 A E E -G 163 0C 51 124,-2.0 124,-2.5 -2,-0.3 122,-0.1 -0.794 40.8 -70.6-129.4 172.2 230.6 -80.1 2.0 40 40 A P E -G 162 0C 11 0, 0.0 122,-0.2 0, 0.0 2,-0.1 -0.328 59.4-105.5 -63.9 149.1 232.7 -77.5 0.0 41 41 A A - 0 0 2 120,-2.2 127,-0.1 118,-0.2 132,-0.1 -0.457 42.4 -86.9 -77.4 149.3 230.9 -76.2 -3.1 42 42 A V + 0 0 0 125,-0.2 -1,-0.1 1,-0.2 3,-0.1 -0.297 44.0 177.7 -55.1 129.7 231.9 -77.3 -6.5 43 43 A L + 0 0 15 -22,-0.2 2,-0.3 1,-0.2 -1,-0.2 0.652 61.2 36.3-108.6 -22.2 234.7 -75.1 -7.8 44 44 A T S > S- 0 0 18 -23,-0.2 3,-0.9 1,-0.1 -1,-0.2 -0.937 78.5-114.7-135.0 158.4 235.4 -76.7 -11.2 45 45 A K T 3 S+ 0 0 83 -2,-0.3 9,-0.3 1,-0.2 10,-0.1 0.706 111.7 57.8 -58.3 -26.4 233.5 -78.4 -14.0 46 46 A N T 3 + 0 0 136 8,-0.0 -1,-0.2 3,-0.0 4,-0.1 0.775 67.5 134.5 -79.6 -30.8 235.3 -81.7 -13.3 47 47 A D X - 0 0 32 -3,-0.9 3,-2.1 1,-0.2 -5,-0.1 0.105 54.8-139.1 -29.2 113.4 234.2 -82.2 -9.7 48 48 A P T 3 S+ 0 0 131 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 0.668 96.3 69.4 -50.9 -27.4 233.1 -85.9 -9.4 49 49 A R T 3 S+ 0 0 47 2,-0.0 -2,-0.1 119,-0.0 119,-0.1 0.711 75.5 113.8 -70.5 -19.7 230.1 -84.9 -7.2 50 50 A L < + 0 0 32 -3,-2.1 120,-0.2 1,-0.1 119,-0.2 -0.239 37.9 177.3 -59.3 134.6 228.4 -83.2 -10.1 51 51 A K S S+ 0 0 154 118,-3.1 2,-0.3 117,-0.1 -1,-0.1 0.029 72.0 23.8-123.1 20.7 225.1 -84.7 -11.5 52 52 A T S S- 0 0 65 117,-0.2 2,-0.3 0, 0.0 119,-0.1 -0.956 105.9 -56.4-170.3 170.9 224.5 -82.0 -14.1 53 53 A D > - 0 0 92 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 -0.453 38.2-156.4 -67.6 124.8 226.5 -79.4 -16.1 54 54 A F H > S+ 0 0 2 -2,-0.3 4,-2.6 -9,-0.3 5,-0.2 0.939 91.1 51.3 -64.2 -49.9 228.4 -77.1 -13.9 55 55 A E H > S+ 0 0 44 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.938 113.0 44.7 -54.4 -52.1 228.6 -74.2 -16.4 56 56 A E H > S+ 0 0 130 1,-0.2 4,-0.7 2,-0.2 3,-0.3 0.900 114.0 51.7 -60.4 -41.6 224.9 -74.2 -17.0 57 57 A A H >< S+ 0 0 10 -4,-2.0 3,-1.1 1,-0.2 4,-0.3 0.934 104.9 51.2 -63.8 -50.8 224.1 -74.5 -13.3 58 58 A I H 3< S+ 0 0 5 -4,-2.6 3,-0.2 1,-0.3 -1,-0.2 0.731 116.6 41.7 -63.9 -20.5 226.2 -71.6 -12.0 59 59 A F H >< S+ 0 0 19 -4,-1.0 3,-1.6 -3,-0.3 -1,-0.3 0.490 87.4 89.7-104.2 -3.4 224.7 -69.2 -14.5 60 60 A S T << + 0 0 50 -3,-1.1 -1,-0.2 -4,-0.7 -2,-0.1 0.650 64.8 86.3 -68.3 -11.1 221.1 -70.4 -14.3 61 61 A K T 3 + 0 0 56 -4,-0.3 2,-2.1 -3,-0.2 -1,-0.3 0.799 69.4 83.0 -58.3 -26.2 220.5 -67.9 -11.5 62 62 A Y < + 0 0 25 -3,-1.6 -59,-0.3 1,-0.2 -1,-0.2 -0.503 58.5 171.5 -80.8 74.0 219.8 -65.3 -14.2 63 63 A V - 0 0 109 -2,-2.1 2,-0.2 1,-0.2 -1,-0.2 0.491 49.5 -96.2 -63.0 -7.0 216.1 -66.4 -14.7 64 64 A G - 0 0 15 -63,-2.7 2,-0.6 175,-0.3 -1,-0.2 -0.637 39.4 -69.9 119.3 179.9 215.4 -63.4 -17.0 65 65 A N + 0 0 39 -2,-0.2 286,-0.1 1,-0.2 176,-0.1 -0.905 42.8 178.1-120.4 101.8 214.0 -59.9 -16.8 66 66 A K + 0 0 136 -2,-0.6 2,-0.2 174,-0.4 -1,-0.2 0.967 62.5 48.8 -68.5 -59.2 210.2 -60.0 -16.1 67 67 A I - 0 0 21 283,-0.3 177,-0.4 1,-0.1 178,-0.1 -0.531 55.6-173.5 -86.8 155.6 209.2 -56.4 -15.9 68 68 A T + 0 0 135 1,-0.2 2,-0.2 -2,-0.2 -1,-0.1 0.735 64.5 30.7-112.8 -40.9 210.2 -53.8 -18.5 69 69 A E S S- 0 0 159 174,-0.0 2,-0.9 178,-0.0 -1,-0.2 -0.715 82.0-103.5-118.8 169.1 209.1 -50.4 -17.2 70 70 A V - 0 0 12 -2,-0.2 175,-0.0 -3,-0.1 0, 0.0 -0.843 49.2-157.2 -93.8 106.9 208.7 -48.7 -13.8 71 71 A D > - 0 0 46 -2,-0.9 4,-2.7 1,-0.1 5,-0.2 0.017 31.0 -86.4 -78.5-174.9 204.9 -48.7 -13.3 72 72 A E H > S+ 0 0 131 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.889 125.2 48.7 -58.1 -46.2 202.5 -46.7 -11.2 73 73 A Y H > S+ 0 0 53 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.948 112.6 47.3 -60.8 -52.1 202.9 -48.8 -8.1 74 74 A M H > S+ 0 0 0 1,-0.2 4,-3.3 2,-0.2 -2,-0.2 0.925 110.8 53.4 -55.5 -46.0 206.7 -48.8 -8.2 75 75 A K H X S+ 0 0 112 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.878 111.7 44.7 -59.2 -37.5 206.6 -45.1 -8.8 76 76 A E H X S+ 0 0 105 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.903 111.5 52.6 -73.5 -39.2 204.5 -44.6 -5.7 77 77 A A H X S+ 0 0 0 -4,-3.0 4,-2.5 1,-0.2 5,-0.3 0.939 108.5 52.3 -58.2 -46.8 206.7 -47.0 -3.7 78 78 A V H X S+ 0 0 2 -4,-3.3 4,-2.7 1,-0.2 5,-0.3 0.927 109.8 48.7 -54.9 -49.1 209.7 -44.9 -4.8 79 79 A D H X S+ 0 0 83 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.948 112.5 46.5 -56.7 -54.0 208.0 -41.7 -3.6 80 80 A H H X S+ 0 0 33 -4,-2.7 4,-1.5 2,-0.2 -1,-0.2 0.895 116.3 43.1 -58.2 -46.2 207.1 -43.1 -0.2 81 81 A Y H >X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 3,-0.6 0.965 112.0 52.5 -65.7 -52.6 210.5 -44.7 0.6 82 82 A A H 3X S+ 0 0 2 -4,-2.7 4,-1.5 -5,-0.3 -1,-0.2 0.854 106.8 58.6 -50.6 -33.1 212.4 -41.6 -0.7 83 83 A G H 3X S+ 0 0 41 -4,-1.8 4,-0.8 -5,-0.3 -1,-0.3 0.926 106.2 44.5 -63.2 -46.8 210.1 -39.8 1.7 84 84 A Q H X< S+ 0 0 26 -4,-1.5 3,-1.3 -3,-0.6 4,-0.3 0.945 112.3 50.8 -62.3 -50.8 211.3 -41.8 4.7 85 85 A L H >< S+ 0 0 1 -4,-2.4 3,-1.8 1,-0.3 5,-0.5 0.823 99.9 67.6 -57.9 -29.6 215.0 -41.5 3.8 86 86 A M H >< S+ 0 0 98 -4,-1.5 3,-1.7 -5,-0.4 -1,-0.3 0.879 91.1 60.9 -59.1 -36.8 214.4 -37.8 3.4 87 87 A S T << S+ 0 0 87 -3,-1.3 -1,-0.3 -4,-0.8 -2,-0.2 0.551 90.7 69.4 -68.5 -8.2 213.8 -37.6 7.2 88 88 A L T < S- 0 0 39 -3,-1.8 -1,-0.3 -4,-0.3 -2,-0.2 0.620 95.5-139.0 -84.3 -13.4 217.4 -38.8 7.8 89 89 A D < - 0 0 147 -3,-1.7 -3,-0.1 -4,-0.4 -2,-0.1 0.940 27.6-159.7 55.0 49.1 218.8 -35.6 6.5 90 90 A I - 0 0 19 -5,-0.5 2,-0.7 1,-0.1 -1,-0.1 -0.332 20.0-112.1 -63.1 138.9 221.5 -37.6 4.7 91 91 A N - 0 0 77 102,-0.2 102,-0.1 1,-0.1 106,-0.1 -0.643 27.1-166.0 -75.9 115.2 224.7 -35.7 3.7 92 92 A T + 0 0 60 -2,-0.7 -1,-0.1 101,-0.1 102,-0.1 0.457 48.2 113.9 -83.9 -0.3 224.6 -35.6 -0.1 93 93 A E S S- 0 0 134 1,-0.1 100,-0.4 98,-0.0 2,-0.1 -0.172 72.9-102.5 -68.2 164.2 228.3 -34.5 -0.5 94 94 A Q - 0 0 122 98,-0.1 2,-0.5 99,-0.1 96,-0.2 -0.354 37.6-109.6 -81.0 165.2 230.9 -36.7 -2.1 95 95 A M - 0 0 11 94,-2.7 2,-0.1 -2,-0.1 97,-0.1 -0.892 29.1-113.4-105.4 126.7 233.4 -38.5 0.1 96 96 A X >> - 0 0 144 -2,-0.5 4,-1.6 1,-0.1 3,-1.0 -0.332 29.7-117.7 -58.2 121.2 237.1 -37.4 0.1 97 97 A L H 3> S+ 0 0 16 1,-0.3 4,-1.6 2,-0.2 5,-0.2 0.704 111.9 60.6 -27.3 -42.9 239.2 -40.2 -1.4 98 98 A E H >> S+ 0 0 54 2,-0.2 4,-3.0 1,-0.2 3,-1.0 0.984 109.2 39.8 -55.4 -62.2 241.1 -40.6 1.9 99 99 A D H <> S+ 0 0 21 -3,-1.0 4,-1.9 1,-0.3 -2,-0.2 0.889 111.2 58.0 -53.6 -45.2 237.9 -41.6 3.9 100 100 A A H 3< S+ 0 0 0 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.816 117.7 35.3 -56.2 -30.6 236.6 -43.7 1.1 101 101 A M H << S+ 0 0 1 -4,-1.6 9,-2.4 -3,-1.0 -2,-0.2 0.919 130.0 25.3 -90.0 -53.4 239.8 -45.7 1.3 102 102 A Y H < S- 0 0 29 -4,-3.0 7,-0.4 7,-0.2 -3,-0.2 0.237 107.6-116.2-101.7 13.9 240.8 -45.8 5.0 103 103 A G < - 0 0 9 -4,-1.9 2,-0.3 5,-0.3 -1,-0.2 0.080 26.5-155.2 79.8 169.0 237.4 -45.4 6.6 104 104 A T B > -H 107 0D 55 3,-2.3 3,-2.8 -4,-0.1 -1,-0.0 -0.922 52.7 -42.9-174.6 161.3 235.6 -42.8 8.8 105 105 A D T 3 S+ 0 0 116 1,-0.3 95,-0.1 -2,-0.3 3,-0.1 -0.091 131.7 17.4 -41.5 111.5 232.7 -42.8 11.3 106 106 A G T 3 S+ 0 0 17 93,-0.1 2,-0.3 92,-0.0 93,-0.3 0.371 119.8 66.5 105.1 -3.5 230.0 -44.9 9.6 107 107 A L B < S-H 104 0D 12 -3,-2.8 -3,-2.3 92,-0.1 3,-0.1 -0.911 72.1-138.7-152.2 119.8 232.1 -46.7 7.1 108 108 A E - 0 0 170 -2,-0.3 -5,-0.3 -5,-0.2 3,-0.1 -0.297 36.4 -94.2 -72.7 164.7 234.9 -49.2 7.7 109 109 A A - 0 0 49 -7,-0.4 -7,-0.2 1,-0.2 -1,-0.1 -0.344 58.6 -71.2 -75.5 161.3 238.1 -49.0 5.7 110 110 A L - 0 0 16 -9,-2.4 2,-0.5 1,-0.1 -1,-0.2 -0.185 54.6-109.6 -53.6 141.1 238.5 -51.1 2.6 111 111 A D - 0 0 83 1,-0.1 -1,-0.1 -3,-0.1 3,-0.1 -0.639 23.1-159.0 -81.0 124.6 238.9 -54.8 3.2 112 112 A L S S+ 0 0 70 -2,-0.5 15,-0.2 1,-0.2 16,-0.2 0.618 80.8 61.3 -78.5 -13.1 242.3 -56.0 2.5 113 113 A S S S+ 0 0 93 14,-0.1 -1,-0.2 2,-0.0 3,-0.1 0.927 85.4 85.3 -82.0 -40.4 241.6 -59.7 2.0 114 114 A T S S- 0 0 80 1,-0.1 13,-0.2 -3,-0.1 0, 0.0 -0.185 90.9 -78.2 -65.8 150.0 239.2 -59.5 -1.0 115 115 A S - 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0 0 36 1,-0.1 3,-1.7 3,-0.0 -1,-0.4 -0.975 61.7-153.2-124.3 122.1 243.3 -71.8 7.7 407 407 A P G > S+ 0 0 93 0, 0.0 3,-1.1 0, 0.0 4,-0.3 0.726 96.4 66.1 -60.9 -23.9 244.4 -73.5 10.9 408 408 A R G 3 S+ 0 0 207 1,-0.2 4,-0.3 2,-0.1 3,-0.2 0.653 99.0 51.5 -73.3 -17.1 245.8 -70.2 12.1 409 409 A N G <> S+ 0 0 84 -3,-1.7 4,-3.0 1,-0.2 -1,-0.2 0.206 76.7 102.8-105.0 14.3 242.2 -68.8 12.3 410 410 A T H <> S+ 0 0 29 -3,-1.1 4,-2.4 2,-0.2 5,-0.3 0.890 80.9 51.8 -63.7 -39.6 240.8 -71.7 14.4 411 411 A Q H > S+ 0 0 57 -4,-0.3 4,-2.7 -3,-0.2 5,-0.2 0.981 116.1 38.8 -59.9 -57.2 240.9 -69.6 17.6 412 412 A D H > S+ 0 0 103 -4,-0.3 4,-2.5 1,-0.2 -2,-0.2 0.865 114.7 54.5 -63.1 -37.5 239.0 -66.7 16.0 413 413 A H H X S+ 0 0 54 -4,-3.0 4,-1.7 2,-0.2 -1,-0.2 0.917 114.8 38.6 -63.9 -44.3 236.7 -69.1 14.1 414 414 A V H X S+ 0 0 2 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.901 113.8 54.8 -74.2 -40.5 235.6 -71.0 17.2 415 415 A R H X S+ 0 0 66 -4,-2.7 4,-1.5 -5,-0.3 3,-0.3 0.958 109.4 49.2 -54.6 -51.3 235.5 -67.8 19.3 416 416 A S H X S+ 0 0 67 -4,-2.5 4,-0.8 1,-0.3 3,-0.3 0.892 109.1 51.1 -55.1 -46.1 233.1 -66.3 16.8 417 417 A L H >X S+ 0 0 10 -4,-1.7 4,-2.8 1,-0.2 3,-0.7 0.862 105.7 57.4 -63.2 -32.7 230.9 -69.3 16.8 418 418 A C H 3X S+ 0 0 0 -4,-2.3 4,-2.2 -3,-0.3 -1,-0.2 0.866 100.5 56.3 -64.8 -36.2 230.8 -69.1 20.6 419 419 A L H 3< S+ 0 0 49 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.704 114.0 40.6 -68.4 -20.5 229.4 -65.6 20.4 420 420 A L H X< S+ 0 0 48 -4,-0.8 3,-0.9 -3,-0.7 -28,-0.5 0.884 115.0 51.2 -90.3 -47.7 226.5 -66.9 18.3 421 421 A A H >< S+ 0 0 0 -4,-2.8 3,-3.0 1,-0.2 -2,-0.2 0.853 90.7 70.5 -58.1 -48.9 225.9 -70.1 20.2 422 422 A W G >< S+ 0 0 5 -4,-2.2 3,-1.7 1,-0.3 -1,-0.2 0.696 84.4 73.3 -48.1 -23.6 225.6 -69.0 23.8 423 423 A H G < S+ 0 0 11 -3,-0.9 -1,-0.3 1,-0.3 -2,-0.1 0.599 81.0 73.5 -68.4 -10.1 222.3 -67.4 23.0 424 424 A N G < S- 0 0 45 -3,-3.0 -1,-0.3 1,-0.3 4,-0.3 0.428 118.2 -85.5 -81.7 0.2 220.8 -70.9 22.8 425 425 A G <> - 0 0 25 -3,-1.7 4,-2.3 -4,-0.1 -1,-0.3 -0.172 36.7 -84.4 112.2 155.5 221.0 -71.1 26.6 426 426 A E H > S+ 0 0 104 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.919 123.4 52.0 -61.6 -46.6 223.6 -72.0 29.2 427 427 A E H > S+ 0 0 140 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.948 113.4 44.8 -56.1 -49.1 223.0 -75.8 29.1 428 428 A E H > S+ 0 0 78 -4,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.882 111.3 52.8 -62.4 -41.8 223.4 -75.8 25.3 429 429 A Y H X S+ 0 0 0 -4,-2.3 4,-2.7 -7,-0.2 -1,-0.2 0.884 109.2 49.0 -63.6 -40.3 226.5 -73.6 25.4 430 430 A N H X S+ 0 0 58 -4,-2.4 4,-3.2 2,-0.2 -1,-0.2 0.897 108.0 52.4 -68.5 -40.5 228.3 -75.9 27.9 431 431 A K H X S+ 0 0 114 -4,-2.0 4,-2.2 -5,-0.2 -1,-0.2 0.921 112.6 48.7 -58.0 -41.2 227.5 -79.1 25.9 432 432 A F H X S+ 0 0 4 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.931 112.3 45.6 -62.8 -50.2 229.1 -77.2 23.0 433 433 A L H X S+ 0 0 1 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.896 109.3 58.8 -61.1 -40.0 232.2 -76.1 25.0 434 434 A A H < S+ 0 0 58 -4,-3.2 -2,-0.2 1,-0.2 -1,-0.2 0.954 108.9 41.6 -53.1 -57.5 232.4 -79.6 26.3 435 435 A K H >< S+ 0 0 87 -4,-2.2 3,-2.2 1,-0.2 -1,-0.2 0.895 110.2 56.8 -60.6 -42.8 232.8 -81.2 22.9 436 436 A I H >< S+ 0 0 0 -4,-2.2 3,-0.7 1,-0.3 6,-0.4 0.928 110.7 46.8 -54.7 -41.2 235.1 -78.5 21.7 437 437 A R T 3< S+ 0 0 83 -4,-2.4 -1,-0.3 5,-0.3 -2,-0.2 0.323 88.4 87.2 -83.3 7.6 237.3 -79.5 24.6 438 438 A S T < S+ 0 0 64 -3,-2.2 -1,-0.2 -5,-0.1 -2,-0.1 0.261 90.4 49.7 -90.1 11.8 237.0 -83.2 23.9 439 439 A V S <> S- 0 0 24 -3,-0.7 4,-2.2 1,-0.1 3,-0.3 -0.987 93.3-108.3-145.7 150.0 240.0 -83.0 21.6 440 440 A P H > S+ 0 0 95 0, 0.0 4,-1.2 0, 0.0 -1,-0.1 0.898 114.4 54.1 -42.7 -57.5 243.5 -81.4 21.9 441 441 A I H >> S+ 0 0 83 1,-0.2 3,-0.8 2,-0.2 4,-0.5 0.894 110.8 45.5 -47.6 -51.1 242.9 -78.5 19.6 442 442 A G H >4 S+ 0 0 0 -6,-0.4 3,-1.9 -3,-0.3 -5,-0.3 0.931 106.3 58.1 -61.3 -47.3 239.8 -77.4 21.4 443 443 A R H 3< S+ 0 0 146 -4,-2.2 -1,-0.2 -7,-0.3 -2,-0.2 0.740 104.7 54.2 -56.7 -21.3 241.4 -77.7 24.9 444 444 A A H << S+ 0 0 87 -4,-1.2 -1,-0.3 -3,-0.8 -2,-0.2 0.606 89.4 100.7 -88.9 -13.5 244.0 -75.2 23.7 445 445 A L S << S- 0 0 24 -3,-1.9 2,-1.0 -4,-0.5 -34,-0.0 -0.345 74.4-126.7 -74.6 154.7 241.6 -72.5 22.6 446 446 A D + 0 0 115 -2,-0.1 -1,-0.1 2,-0.0 -3,-0.1 -0.758 43.0 169.8-101.1 83.0 240.7 -69.5 24.7 447 447 A L - 0 0 11 -2,-1.0 2,-0.3 -5,-0.1 -32,-0.1 -0.761 31.8-119.1-101.2 144.9 236.9 -69.7 24.8 448 448 A P - 0 0 10 0, 0.0 2,-0.1 0, 0.0 -1,-0.0 -0.588 25.4-123.9 -83.3 139.7 234.6 -67.6 27.0 449 449 A E > - 0 0 73 -2,-0.3 4,-1.9 1,-0.1 3,-0.3 -0.442 26.5-107.2 -79.4 155.8 232.4 -69.2 29.6 450 450 A Y H > S+ 0 0 31 1,-0.2 4,-3.1 2,-0.2 3,-0.3 0.912 116.4 52.0 -45.9 -61.8 228.6 -68.6 29.7 451 451 A S H > S+ 0 0 65 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.887 108.3 52.8 -45.6 -46.6 228.4 -66.3 32.7 452 452 A T H > S+ 0 0 74 -3,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.931 114.5 41.8 -57.4 -47.1 231.1 -64.1 31.2 453 453 A L H X S+ 0 0 2 -4,-1.9 4,-2.5 -3,-0.3 -2,-0.2 0.939 114.8 49.1 -66.0 -49.6 229.1 -63.7 27.9 454 454 A Y H X S+ 0 0 14 -4,-3.1 4,-2.2 2,-0.2 -2,-0.2 0.842 114.6 44.6 -61.9 -36.4 225.7 -63.3 29.5 455 455 A D H X S+ 0 0 85 -4,-2.4 4,-2.0 -5,-0.3 5,-0.2 0.945 112.0 51.1 -72.7 -49.1 226.9 -60.6 31.9 456 456 A R H X S+ 0 0 124 -4,-2.1 4,-1.0 -5,-0.3 -2,-0.2 0.906 110.9 51.4 -52.4 -43.3 228.8 -58.8 29.3 457 457 A W H >X S+ 0 0 9 -4,-2.5 3,-1.8 1,-0.2 4,-0.5 0.977 106.4 53.0 -57.5 -58.3 225.7 -58.9 27.2 458 458 A L H >< S+ 0 0 38 -4,-2.2 3,-0.5 1,-0.3 -1,-0.2 0.798 110.6 47.3 -48.2 -37.1 223.5 -57.5 30.0 459 459 A D H 3< S+ 0 0 131 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.648 94.2 78.3 -82.8 -14.0 225.8 -54.5 30.5 460 460 A S H << 0 0 55 -3,-1.8 -1,-0.2 -4,-1.0 -2,-0.2 0.672 360.0 360.0 -69.3 -20.1 226.1 -53.6 26.8 461 461 A F << 0 0 121 -3,-0.5 -1,-0.3 -4,-0.5 -2,-0.1 0.523 360.0 360.0 -74.7 360.0 222.7 -51.9 26.5