==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 13-OCT-04 1XR5 . COMPND 2 MOLECULE: GENOME POLYPROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN RHINOVIRUS 14; . AUTHOR R.A.LOVE,K.A.MAEGLEY,X.YU,R.A.FERRE,L.K.LINGARDO,W.DIEHL, . 460 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21755.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 302 65.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 45 9.8 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 . 3 0.7 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 . 38 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 136 29.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.7 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 4 2 3 1 2 1 2 1 1 0 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 2 3 1 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 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 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 2 0, 0.0 63,-0.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 132.8 -11.6 48.2 26.3 2 2 A Q E -A 282 0A 87 280,-1.6 280,-2.2 61,-0.1 2,-0.9 -0.964 360.0-115.0-125.6 146.1 -13.2 47.8 29.8 3 3 A V E -A 281 0A 53 -2,-0.4 278,-0.2 59,-0.3 3,-0.1 -0.669 32.4-179.1 -76.4 105.4 -12.8 49.7 33.0 4 4 A I E + 0 0 96 276,-1.3 2,-0.3 -2,-0.9 -1,-0.2 0.733 60.5 5.8 -79.9 -24.6 -11.2 47.2 35.3 5 5 A A E -A 280 0A 31 275,-1.3 275,-1.7 2,-0.0 2,-0.4 -0.976 52.8-154.0-163.7 145.3 -11.0 49.4 38.5 6 6 A R E +A 279 0A 133 -2,-0.3 2,-0.3 273,-0.2 273,-0.2 -0.985 21.3 163.8-126.0 133.3 -11.9 52.7 40.0 7 7 A H E -A 278 0A 64 271,-1.9 271,-1.3 -2,-0.4 2,-0.3 -0.780 36.1-107.1-131.6 174.1 -10.1 54.5 42.9 8 8 A K >> - 0 0 119 269,-0.3 3,-0.9 -2,-0.3 4,-0.8 -0.794 27.6-121.3-101.9 151.4 -10.0 57.9 44.4 9 9 A V H >>>S+ 0 0 8 -2,-0.3 5,-1.0 1,-0.2 3,-0.5 0.829 111.0 68.9 -61.7 -30.9 -6.9 60.2 43.8 10 10 A R H >45S+ 0 0 221 1,-0.2 3,-1.1 3,-0.2 -1,-0.2 0.866 92.1 58.4 -48.6 -45.5 -6.6 60.3 47.6 11 11 A E H <45S+ 0 0 124 -3,-0.9 -1,-0.2 1,-0.3 -2,-0.2 0.856 115.1 35.2 -57.6 -38.9 -5.6 56.5 47.6 12 12 A F H <<5S- 0 0 98 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.388 115.0-116.1 -92.7 2.2 -2.6 57.3 45.3 13 13 A N T <<5 + 0 0 137 -3,-1.1 2,-0.4 -4,-0.5 -3,-0.2 0.998 62.8 149.0 49.5 76.2 -2.0 60.7 46.9 14 14 A I < - 0 0 31 -5,-1.0 -1,-0.2 108,-0.0 -2,-0.1 -0.997 51.4-120.2-138.7 129.8 -2.7 62.8 43.8 15 15 A N - 0 0 101 -2,-0.4 107,-0.1 1,-0.1 -5,-0.0 -0.562 38.1-125.2 -69.6 127.1 -4.1 66.3 43.7 16 16 A P - 0 0 75 0, 0.0 2,-0.4 0, 0.0 260,-0.2 -0.025 18.6-116.4 -66.2 176.6 -7.4 66.1 41.7 17 17 A V - 0 0 30 258,-2.7 2,-1.4 256,-0.0 105,-0.1 -0.980 7.9-136.2-123.3 128.0 -8.2 68.2 38.6 18 18 A N - 0 0 156 -2,-0.4 3,-0.1 258,-0.0 258,-0.0 -0.686 32.0-144.4 -80.2 91.6 -11.0 70.8 38.3 19 19 A T - 0 0 20 -2,-1.4 2,-0.1 1,-0.1 138,-0.0 -0.382 29.3 -95.2 -63.7 127.2 -12.2 69.8 34.9 20 20 A P - 0 0 71 0, 0.0 138,-0.2 0, 0.0 -1,-0.1 -0.234 46.1-170.7 -42.6 105.7 -13.4 72.9 32.8 21 21 A T + 0 0 71 -2,-0.1 2,-0.3 -3,-0.1 22,-0.1 -0.119 54.5 63.8-106.9 37.1 -17.1 72.7 33.6 22 22 A K S S- 0 0 177 20,-0.1 2,-0.3 21,-0.1 138,-0.1 -0.944 79.1-117.1-155.4 136.0 -18.6 75.2 31.2 23 23 A S - 0 0 32 -2,-0.3 -2,-0.1 1,-0.1 19,-0.0 -0.564 11.8-159.6 -72.4 128.9 -18.7 75.4 27.4 24 24 A K + 0 0 124 -2,-0.3 2,-0.6 2,-0.0 -1,-0.1 0.434 63.8 107.4 -82.4 -2.3 -16.9 78.4 25.9 25 25 A L + 0 0 18 377,-0.1 379,-0.2 380,-0.0 -2,-0.1 -0.704 44.9 171.4 -83.0 119.1 -19.0 78.0 22.7 26 26 A H E -E 403 0B 110 377,-2.4 377,-2.3 -2,-0.6 2,-0.3 -0.802 42.8 -84.8-117.6 162.4 -21.6 80.7 22.3 27 27 A P E -E 402 0B 71 0, 0.0 375,-0.3 0, 0.0 374,-0.1 -0.542 42.9-142.8 -69.3 129.9 -23.9 81.4 19.3 28 28 A S > - 0 0 14 373,-1.4 3,-1.2 -2,-0.3 4,-0.2 -0.213 32.0 -96.7 -76.2 177.9 -22.3 83.5 16.6 29 29 A V G > S+ 0 0 77 1,-0.2 3,-0.5 2,-0.1 4,-0.4 0.633 122.5 65.4 -71.1 -15.6 -24.2 86.1 14.6 30 30 A F G 3> S+ 0 0 2 370,-0.5 4,-1.7 1,-0.2 -1,-0.2 0.363 73.4 97.4 -88.2 5.8 -24.7 83.5 11.8 31 31 A Y G <4 S+ 0 0 76 -3,-1.2 -1,-0.2 1,-0.2 -2,-0.1 0.856 90.6 35.5 -62.6 -39.6 -26.9 81.5 14.1 32 32 A D T <4 S+ 0 0 149 -3,-0.5 -1,-0.2 -4,-0.2 -2,-0.1 0.762 115.4 54.6 -84.8 -28.2 -30.1 82.9 12.7 33 33 A V T 4 S+ 0 0 40 -4,-0.4 -2,-0.2 2,-0.0 -1,-0.1 0.755 109.7 43.3 -84.4 -26.2 -29.0 83.2 9.1 34 34 A F S < S- 0 0 8 -4,-1.7 2,-0.3 363,-0.1 0, 0.0 -0.790 84.4-114.5-114.5 160.0 -27.9 79.6 8.5 35 35 A P + 0 0 81 0, 0.0 2,-0.3 0, 0.0 366,-0.1 -0.683 44.1 134.0 -96.1 150.2 -29.5 76.3 9.6 36 36 A G - 0 0 21 -2,-0.3 359,-0.0 -5,-0.1 358,-0.0 -0.921 36.8-157.3-178.9 160.7 -28.3 73.6 12.0 37 37 A D + 0 0 118 -2,-0.3 126,-0.1 2,-0.1 -1,-0.1 0.771 58.6 106.9-107.6 -59.1 -29.1 71.4 15.0 38 38 A K - 0 0 52 124,-0.1 126,-0.2 1,-0.1 124,-0.1 0.174 44.8-175.0 -27.0 124.4 -25.8 70.6 16.8 39 39 A E E -F 163 0C 69 124,-1.8 124,-3.4 1,-0.1 122,-0.1 -0.712 38.4 -71.7-113.2 170.0 -25.4 72.3 20.1 40 40 A P E -F 162 0C 6 0, 0.0 122,-0.2 0, 0.0 -1,-0.1 -0.279 58.2 -97.5 -59.7 153.3 -22.3 72.3 22.4 41 41 A A - 0 0 1 120,-1.7 2,-0.5 1,-0.1 127,-0.1 -0.158 40.5 -95.7 -71.0 162.4 -21.4 69.1 24.3 42 42 A V + 0 0 0 125,-0.3 -1,-0.1 1,-0.1 3,-0.1 -0.715 44.0 166.5 -84.2 125.2 -22.4 68.5 27.9 43 43 A L + 0 0 15 -2,-0.5 2,-0.3 1,-0.1 -1,-0.1 0.390 59.6 52.5-115.6 -1.4 -19.6 69.4 30.3 44 44 A S S S- 0 0 33 1,-0.1 -1,-0.1 -23,-0.0 3,-0.1 -0.991 73.1-128.7-143.4 148.1 -21.5 69.4 33.6 45 45 A D S S+ 0 0 63 -2,-0.3 9,-0.2 1,-0.2 -1,-0.1 0.693 109.3 50.1 -67.7 -22.3 -23.9 67.0 35.5 46 46 A N + 0 0 143 3,-0.0 4,-0.2 8,-0.0 -1,-0.2 0.855 69.9 134.9 -85.7 -42.4 -26.5 69.7 36.0 47 47 A D > - 0 0 31 1,-0.2 3,-2.1 2,-0.1 -5,-0.0 0.267 58.4-133.6 -10.3 98.0 -26.8 70.9 32.3 48 48 A P T 3 S+ 0 0 129 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 0.567 97.4 60.2 -45.3 -26.3 -30.6 71.1 31.9 49 49 A R T 3 S+ 0 0 84 2,-0.0 2,-0.5 119,-0.0 -2,-0.1 0.345 79.8 112.5 -88.3 7.4 -30.9 69.3 28.5 50 50 A L < - 0 0 29 -3,-2.1 119,-0.2 -4,-0.2 120,-0.1 -0.691 41.4-179.4 -85.9 122.6 -29.3 66.1 29.9 51 51 A E + 0 0 115 118,-1.3 2,-0.3 -2,-0.5 -1,-0.1 -0.136 63.6 48.5-110.2 36.1 -31.7 63.1 30.2 52 52 A V S S- 0 0 67 117,-0.1 2,-0.4 0, 0.0 119,-0.1 -0.987 94.4 -82.0-170.3 153.6 -29.1 60.7 31.7 53 53 A K > - 0 0 116 -2,-0.3 4,-1.9 1,-0.2 5,-0.1 -0.563 37.3-151.6 -69.2 124.1 -26.5 60.3 34.5 54 54 A L H > S+ 0 0 11 -2,-0.4 4,-2.8 2,-0.2 5,-0.2 0.878 88.7 58.9 -70.6 -41.4 -23.3 61.9 33.1 55 55 A T H > S+ 0 0 17 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.937 112.6 40.3 -51.1 -52.4 -20.8 59.7 35.0 56 56 A E H >> S+ 0 0 144 1,-0.2 4,-0.7 2,-0.2 3,-0.6 0.900 115.2 54.0 -62.8 -44.1 -22.2 56.5 33.4 57 57 A S H >< S+ 0 0 11 -4,-1.9 3,-1.0 1,-0.2 4,-0.5 0.908 101.8 55.6 -55.7 -52.2 -22.6 58.3 30.0 58 58 A L H 3< S+ 0 0 4 -4,-2.8 -1,-0.2 1,-0.3 117,-0.2 0.729 119.5 32.8 -57.4 -26.7 -19.0 59.5 29.7 59 59 A F H X< S+ 0 0 20 -4,-0.7 3,-1.6 -3,-0.6 -1,-0.3 0.306 85.4 98.4-117.9 3.6 -17.7 55.9 30.1 60 60 A S T << + 0 0 56 -3,-1.0 -2,-0.1 -4,-0.7 -3,-0.1 0.810 69.0 80.1 -59.1 -29.9 -20.5 53.8 28.5 61 61 A K T 3 S+ 0 0 30 -4,-0.5 2,-1.5 1,-0.2 -1,-0.3 0.690 73.1 80.2 -48.4 -27.1 -18.1 53.8 25.4 62 62 A Y < + 0 0 19 -3,-1.6 -59,-0.3 1,-0.2 -1,-0.2 -0.646 60.0 165.5 -85.1 79.9 -16.2 51.0 27.2 63 63 A K - 0 0 168 -2,-1.5 2,-0.2 287,-0.1 -1,-0.2 0.903 54.7 -66.4 -67.1 -48.2 -18.6 48.3 26.2 64 64 A G - 0 0 30 -63,-0.4 2,-0.2 -3,-0.2 -1,-0.1 -0.797 47.3-101.8-173.1-143.6 -16.5 45.3 27.0 65 65 A N - 0 0 36 -2,-0.2 2,-0.3 -64,-0.1 285,-0.1 -0.667 15.6-141.7-175.0 110.0 -13.3 43.5 25.9 66 66 A V - 0 0 48 283,-0.3 2,-0.6 -2,-0.2 178,-0.5 -0.627 19.9-152.1 -79.3 132.7 -12.6 40.4 23.7 67 67 A N + 0 0 130 -2,-0.3 2,-0.3 176,-0.1 -2,-0.0 -0.921 34.4 126.2-115.6 111.9 -9.7 38.3 25.0 68 68 A T - 0 0 63 -2,-0.6 3,-0.1 3,-0.0 176,-0.0 -0.967 56.1-113.1-144.2 163.5 -7.7 36.1 22.6 69 69 A E S S- 0 0 160 -2,-0.3 175,-0.1 1,-0.1 -2,-0.0 -0.680 70.5 -68.1 -84.1 157.2 -4.1 35.5 21.5 70 70 A P - 0 0 39 0, 0.0 -1,-0.1 0, 0.0 5,-0.0 -0.252 56.3-121.8 -56.8 126.4 -3.7 36.7 17.9 71 71 A T > - 0 0 43 1,-0.1 4,-1.9 -3,-0.1 5,-0.1 -0.045 22.9-109.6 -52.4 161.4 -5.6 34.5 15.4 72 72 A E H > S+ 0 0 160 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.923 124.2 46.7 -61.3 -46.5 -3.8 32.8 12.5 73 73 A N H > S+ 0 0 36 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.869 109.1 54.7 -61.2 -41.6 -5.4 35.3 10.1 74 74 A M H > S+ 0 0 2 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.920 107.8 51.1 -53.9 -44.9 -4.5 38.1 12.4 75 75 A L H X S+ 0 0 47 -4,-1.9 4,-1.5 1,-0.2 -2,-0.2 0.806 105.6 53.3 -68.6 -35.3 -0.9 37.0 12.2 76 76 A V H X S+ 0 0 64 -4,-1.6 4,-2.1 1,-0.2 -1,-0.2 0.925 106.7 54.8 -60.6 -45.3 -0.8 36.8 8.4 77 77 A A H X S+ 0 0 0 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.808 106.4 49.3 -62.9 -34.7 -2.0 40.4 8.3 78 78 A V H X S+ 0 0 0 -4,-1.3 4,-2.6 2,-0.2 5,-0.2 0.876 111.6 48.4 -75.1 -36.7 0.8 41.7 10.6 79 79 A D H X S+ 0 0 84 -4,-1.5 4,-1.4 2,-0.2 -2,-0.2 0.840 116.6 44.3 -69.1 -33.9 3.5 40.0 8.5 80 80 A H H X S+ 0 0 32 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.901 117.6 43.0 -74.2 -46.1 2.0 41.4 5.3 81 81 A Y H X S+ 0 0 0 -4,-2.5 4,-1.6 2,-0.2 -2,-0.2 0.897 116.4 47.5 -67.8 -41.5 1.4 44.9 6.7 82 82 A A H X S+ 0 0 1 -4,-2.6 4,-1.5 2,-0.2 -1,-0.2 0.891 108.3 58.5 -65.8 -40.0 4.9 44.9 8.3 83 83 A G H >X S+ 0 0 28 -4,-1.4 4,-1.3 -5,-0.2 3,-0.8 0.943 105.4 46.8 -49.6 -59.1 6.3 43.6 5.0 84 84 A Q H 3< S+ 0 0 30 -4,-2.1 4,-0.5 1,-0.2 -1,-0.2 0.860 111.4 54.1 -49.0 -41.0 4.9 46.6 3.1 85 85 A L H 3< S+ 0 0 0 -4,-1.6 3,-0.5 1,-0.2 5,-0.4 0.754 99.8 59.5 -73.7 -25.5 6.4 48.9 5.8 86 86 A L H X< S+ 0 0 83 -4,-1.5 3,-2.0 -3,-0.8 -1,-0.2 0.878 96.0 63.4 -66.6 -39.3 9.9 47.4 5.5 87 87 A S T 3< S+ 0 0 88 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.725 92.9 63.0 -55.0 -28.8 10.0 48.5 1.9 88 88 A L T 3 S- 0 0 37 -4,-0.5 -1,-0.3 -3,-0.5 -2,-0.2 0.695 102.5-137.9 -69.1 -20.4 9.8 52.1 3.0 89 89 A D < - 0 0 141 -3,-2.0 -3,-0.1 -4,-0.3 -2,-0.1 0.993 24.7-166.1 52.5 73.0 13.1 51.6 4.8 90 90 A I - 0 0 15 -5,-0.4 2,-0.2 -4,-0.1 -1,-0.2 -0.726 23.0-113.8 -88.3 132.0 12.3 53.5 7.9 91 91 A P - 0 0 51 0, 0.0 106,-0.1 0, 0.0 102,-0.1 -0.489 17.8-159.5 -63.5 132.1 15.2 54.4 10.2 92 92 A T + 0 0 73 -2,-0.2 167,-0.2 101,-0.1 102,-0.1 0.414 56.6 117.1 -93.2 -0.7 15.1 52.5 13.5 93 93 A S - 0 0 82 1,-0.1 100,-0.3 165,-0.1 2,-0.2 -0.338 66.6-121.3 -61.6 145.4 17.4 55.0 15.1 94 94 A E - 0 0 104 1,-0.1 96,-0.3 98,-0.1 2,-0.1 -0.531 22.4-113.6 -92.0 159.1 15.9 57.0 17.9 95 95 A L - 0 0 5 94,-1.9 2,-0.3 -2,-0.2 -1,-0.1 -0.374 27.4-108.9 -86.2 169.8 15.4 60.8 18.1 96 96 A T >> - 0 0 77 -2,-0.1 4,-2.7 1,-0.1 5,-0.6 -0.769 25.6-112.6-102.0 142.6 17.1 63.3 20.5 97 97 A L H >5S+ 0 0 30 -2,-0.3 4,-0.6 1,-0.3 -1,-0.1 0.741 124.2 47.3 -34.1 -33.0 15.5 65.3 23.3 98 98 A K H >5S+ 0 0 105 2,-0.2 4,-2.1 3,-0.2 -1,-0.3 0.879 114.9 42.5 -82.6 -45.3 16.2 68.3 21.1 99 99 A E H >5S+ 0 0 75 -3,-0.4 4,-1.8 2,-0.2 -2,-0.2 0.982 117.8 45.7 -61.6 -60.8 14.7 66.7 17.9 100 100 A A H <5S+ 0 0 0 -4,-2.7 10,-0.5 1,-0.2 -1,-0.2 0.785 116.3 48.8 -51.0 -33.6 11.7 65.2 19.7 101 101 A L H < - 0 0 90 1,-0.1 3,-0.8 -3,-0.1 -1,-0.1 -0.430 24.9-156.1 -67.3 124.5 2.2 71.9 20.3 112 112 A I T 3 S+ 0 0 59 -2,-0.2 16,-0.2 1,-0.2 -1,-0.1 0.046 90.8 65.6 -90.3 25.1 2.7 74.4 23.1 113 113 A T T 3 S+ 0 0 121 2,-0.1 -1,-0.2 14,-0.1 -2,-0.1 0.546 86.9 81.0-112.0 -23.8 -1.1 74.9 23.1 114 114 A T S < S- 0 0 80 -3,-0.8 13,-0.3 1,-0.1 2,-0.2 -0.210 94.1 -83.3 -76.0 173.7 -2.0 71.3 24.3 115 115 A S - 0 0 30 1,-0.1 -1,-0.1 11,-0.1 64,-0.1 -0.539 19.4-145.0 -81.1 144.4 -1.8 70.2 28.0 116 116 A A - 0 0 7 -2,-0.2 65,-2.2 1,-0.2 66,-0.2 0.829 43.3-155.5 -70.6 -33.7 1.4 69.1 29.6 117 117 A G > + 0 0 0 63,-0.3 4,-1.7 64,-0.1 3,-0.3 -0.380 39.7 33.1 86.9-167.5 -0.6 66.6 31.6 118 118 A F T 4 S+ 0 0 40 35,-0.4 64,-0.3 60,-0.3 63,-0.2 -0.369 121.3 1.6 -67.4 142.6 0.2 65.0 34.9 119 119 A P T >> S+ 0 0 10 0, 0.0 3,-1.1 0, 0.0 4,-0.7 -0.980 125.2 62.2 -90.1 -3.6 1.7 66.2 37.2 120 120 A Y G >4 S+ 0 0 2 -3,-0.3 3,-0.8 1,-0.3 5,-0.5 0.762 95.6 61.8 -49.4 -39.3 2.2 69.6 35.6 121 121 A V G >< S+ 0 0 43 -4,-1.7 3,-0.9 1,-0.3 -1,-0.3 0.903 108.4 43.3 -57.3 -43.8 -1.5 70.4 35.3 122 122 A S G <4 S+ 0 0 43 -3,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.511 109.2 57.5 -83.1 -8.4 -1.9 70.3 39.1 123 123 A L G << S- 0 0 83 -3,-0.8 -1,-0.2 -4,-0.7 -2,-0.2 0.277 105.9-124.9 -98.1 8.6 1.4 72.2 39.7 124 124 A G S < S+ 0 0 68 -3,-0.9 2,-0.5 -4,-0.2 -3,-0.1 0.243 73.0 128.2 67.4 -15.1 0.1 75.2 37.6 125 125 A I - 0 0 22 -5,-0.5 -2,-0.2 -6,-0.1 -1,-0.2 -0.610 40.9-171.8 -79.5 119.9 3.3 74.8 35.6 126 126 A K >> - 0 0 112 -2,-0.5 3,-0.9 -3,-0.1 4,-0.7 -0.321 38.3 -79.1-109.4-172.6 2.4 74.6 31.9 127 127 A K H >> S+ 0 0 13 -13,-0.3 4,-2.1 1,-0.2 3,-0.6 0.805 118.0 61.1 -61.1 -36.0 4.2 73.9 28.5 128 128 A R H 34 S+ 0 0 163 1,-0.2 -1,-0.2 2,-0.2 5,-0.1 0.807 96.1 60.7 -63.4 -33.5 5.8 77.3 28.1 129 129 A D H <4 S+ 0 0 88 -3,-0.9 -1,-0.2 1,-0.2 -2,-0.2 0.830 116.0 32.1 -65.2 -33.7 7.9 77.0 31.2 130 130 A I H << S+ 0 0 3 -4,-0.7 2,-0.7 -3,-0.6 11,-0.3 0.773 114.0 69.1 -88.8 -31.8 9.7 73.9 29.9 131 131 A L < + 0 0 8 -4,-2.1 2,-0.6 9,-0.1 -1,-0.1 -0.826 49.4 175.4-106.5 111.4 9.6 74.9 26.3 132 132 A N >> - 0 0 55 -2,-0.7 4,-1.8 5,-0.2 5,-1.0 -0.966 9.1-171.5-106.7 110.9 11.7 77.7 24.9 133 133 A K T 45S+ 0 0 130 -2,-0.6 -1,-0.1 2,-0.2 -5,-0.0 0.900 82.9 46.5 -70.4 -43.2 11.1 77.6 21.1 134 134 A E T 45S+ 0 0 150 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.870 119.9 40.2 -67.4 -39.0 13.7 80.2 20.1 135 135 A T T 45S- 0 0 91 2,-0.0 -1,-0.2 0, 0.0 -2,-0.2 0.829 92.3-143.6 -76.2 -35.4 16.4 78.7 22.4 136 136 A Q T <5 - 0 0 88 -4,-1.8 -3,-0.2 1,-0.2 2,-0.1 0.928 33.8-169.3 59.4 51.9 15.6 75.0 21.6 137 137 A D < + 0 0 39 -5,-1.0 -5,-0.2 1,-0.1 -1,-0.2 -0.430 30.7 177.8 -79.7 143.0 16.4 74.3 25.3 138 138 A T > + 0 0 54 -2,-0.1 4,-1.5 2,-0.1 -1,-0.1 0.235 65.0 82.7-125.4 9.6 16.7 70.8 26.7 139 139 A E H > S+ 0 0 152 2,-0.2 4,-1.9 3,-0.2 5,-0.1 0.890 91.6 47.7 -81.5 -44.0 17.7 71.5 30.3 140 140 A K H > S+ 0 0 74 -10,-0.3 4,-2.1 2,-0.2 5,-0.1 0.890 116.9 44.1 -65.5 -41.6 14.1 72.1 31.6 141 141 A M H > S+ 0 0 0 -11,-0.3 4,-1.7 2,-0.2 5,-0.2 0.997 113.1 48.6 -65.0 -63.1 12.9 68.9 30.0 142 142 A K H X S+ 0 0 89 -4,-1.5 4,-1.8 1,-0.2 -2,-0.2 0.795 112.6 52.2 -47.6 -35.4 15.8 66.7 31.0 143 143 A F H >X S+ 0 0 114 -4,-1.9 4,-2.2 1,-0.2 3,-0.6 0.999 112.5 41.0 -62.6 -66.1 15.4 68.0 34.5 144 144 A Y H 3X S+ 0 0 49 -4,-2.1 4,-1.3 1,-0.2 5,-0.2 0.569 113.4 57.6 -61.5 -11.4 11.6 67.2 34.8 145 145 A L H 3X S+ 0 0 24 -4,-1.7 4,-1.5 2,-0.2 -1,-0.2 0.868 109.3 42.5 -80.6 -47.3 12.3 63.9 33.0 146 146 A D H << S+ 0 0 124 -4,-1.8 -2,-0.2 -3,-0.6 -3,-0.1 0.834 118.0 49.8 -63.3 -36.5 14.8 62.7 35.7 147 147 A K H < S+ 0 0 110 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.994 126.4 17.1 -68.4 -64.1 12.5 64.1 38.4 148 148 A Y H < S- 0 0 71 -4,-1.3 -3,-0.2 1,-0.2 -2,-0.2 0.625 93.0-157.6 -92.7 -18.0 9.1 62.6 37.5 149 149 A G < - 0 0 26 -4,-1.5 2,-0.3 -5,-0.2 -1,-0.2 -0.259 23.9 -62.9 76.4-161.3 10.1 59.8 35.1 150 150 A I S S+ 0 0 90 1,-0.1 33,-0.0 -4,-0.1 32,-0.0 -0.801 97.1 57.4-126.8 168.7 7.9 58.1 32.5 151 151 A D S S+ 0 0 104 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.691 71.4 166.6 79.5 27.7 4.8 55.9 32.3 152 152 A L - 0 0 23 -3,-0.2 28,-0.2 1,-0.1 -1,-0.2 -0.213 37.6 -94.6 -69.2 158.3 2.8 58.6 34.1 153 153 A P - 0 0 25 0, 0.0 2,-0.4 0, 0.0 -35,-0.4 -0.081 38.5-105.7 -69.0 176.8 -1.1 58.6 34.2 154 154 A L E -b 272 0A 9 117,-2.2 119,-3.2 25,-0.1 2,-0.6 -0.893 16.3-135.6-114.9 127.8 -3.4 60.4 31.9 155 155 A V E -bC 273 178A 4 23,-1.8 23,-2.3 -2,-0.4 2,-1.0 -0.735 22.0-149.6 -83.3 122.3 -5.4 63.5 32.6 156 156 A T E + C 0 177A 4 117,-1.4 119,-0.3 -2,-0.6 21,-0.2 -0.767 19.8 176.5-103.8 91.8 -9.0 63.0 31.3 157 157 A Y E - C 0 176A 49 19,-1.6 19,-1.3 -2,-1.0 2,-0.5 -0.425 32.8-119.3 -73.3 163.4 -10.6 66.2 30.2 158 158 A I E - C 0 175A 13 17,-0.2 17,-0.3 -138,-0.2 2,-0.1 -0.965 36.5-111.7-108.7 126.7 -14.1 66.1 28.6 159 159 A K - 0 0 63 15,-2.3 2,-0.7 -2,-0.5 15,-0.1 -0.344 19.4-142.8 -69.7 127.6 -13.9 67.5 25.0 160 160 A D + 0 0 28 -2,-0.1 2,-0.3 -120,-0.1 -1,-0.1 -0.801 50.9 112.8 -93.3 109.8 -15.7 70.9 24.3 161 161 A E - 0 0 35 -2,-0.7 -120,-1.7 -122,-0.1 2,-0.1 -0.975 68.9 -68.0-168.3 164.5 -17.3 70.7 20.8 162 162 A L E -F 40 0C 44 -2,-0.3 2,-0.3 -122,-0.2 -124,-0.1 -0.428 49.3-175.2 -68.5 138.2 -20.5 70.6 18.8 163 163 A R E -F 39 0C 32 -124,-3.4 -124,-1.8 -2,-0.1 5,-0.1 -0.985 29.6-101.6-135.2 149.4 -22.6 67.5 19.2 164 164 A S > - 0 0 37 -2,-0.3 4,-1.0 -126,-0.2 3,-0.5 -0.311 44.8-101.5 -64.5 150.4 -25.8 66.2 17.5 165 165 A V H > S+ 0 0 77 1,-0.2 4,-1.8 2,-0.2 3,-0.5 0.790 122.1 51.6 -42.9 -42.0 -29.0 66.6 19.6 166 166 A D H > S+ 0 0 96 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.938 108.0 48.4 -63.6 -52.5 -28.9 62.8 20.6 167 167 A K H 4>S+ 0 0 73 -3,-0.5 6,-0.8 1,-0.2 5,-0.7 0.541 109.9 56.9 -68.5 -7.1 -25.3 62.9 21.8 168 168 A V H ><5S+ 0 0 4 -4,-1.0 3,-0.9 -3,-0.5 -2,-0.2 0.909 114.1 33.9 -83.8 -55.2 -26.1 66.0 23.9 169 169 A R H 3<5S+ 0 0 87 -4,-1.8 -118,-1.3 1,-0.2 -2,-0.2 0.936 114.8 56.2 -68.2 -48.4 -29.0 64.5 25.9 170 170 A L T 3<5S- 0 0 68 -4,-2.6 -1,-0.2 -5,-0.2 -3,-0.1 0.354 111.1-121.4 -69.4 8.0 -27.6 60.9 26.1 171 171 A G T < 5 + 0 0 0 -3,-0.9 -3,-0.2 -5,-0.1 -4,-0.1 0.709 63.3 146.7 64.9 24.7 -24.4 62.5 27.7 172 172 A K < + 0 0 85 -5,-0.7 -4,-0.1 -6,-0.2 -1,-0.1 0.577 12.9 142.9 -74.1 -12.6 -22.2 61.1 25.0 173 173 A S - 0 0 0 -6,-0.8 -13,-0.1 -5,-0.2 -10,-0.0 -0.018 49.5-130.5 -29.6 114.7 -19.8 64.1 25.1 174 174 A R - 0 0 98 -16,-0.1 -15,-2.3 -15,-0.1 2,-0.3 -0.186 13.3-118.5 -86.4 171.3 -16.4 62.4 24.5 175 175 A L E -C 158 0A 3 -17,-0.3 2,-0.6 -117,-0.2 -17,-0.2 -0.778 1.6-145.7-111.3 143.6 -13.1 62.7 26.4 176 176 A I E -C 157 0A 49 -19,-1.3 -19,-1.6 -2,-0.3 2,-1.0 -0.968 15.5-159.7-101.6 122.4 -9.6 63.7 25.6 177 177 A E E -C 156 0A 2 110,-1.4 -21,-0.2 -2,-0.6 2,-0.2 -0.823 22.1-155.0-104.7 88.0 -7.3 61.5 27.6 178 178 A A E -C 155 0A 9 -23,-2.3 -23,-1.8 -2,-1.0 -60,-0.3 -0.488 3.4-129.1 -84.9 137.8 -4.3 63.7 27.5 179 179 A S - 0 0 18 109,-1.1 -25,-0.1 -2,-0.2 -1,-0.1 -0.454 23.1-104.0 -90.0 147.1 -0.7 62.4 27.9 180 180 A S > - 0 0 0 -27,-0.4 4,-2.4 -28,-0.2 -63,-0.3 -0.392 28.2-124.2 -63.2 145.8 2.0 63.7 30.2 181 181 A L H > S+ 0 0 0 -65,-2.2 4,-2.6 1,-0.2 5,-0.3 0.894 112.5 59.9 -60.2 -39.8 4.6 65.7 28.4 182 182 A N H > S+ 0 0 0 -64,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.924 109.9 40.4 -49.1 -51.6 7.2 63.3 29.8 183 183 A D H > S+ 0 0 13 -3,-0.2 4,-1.8 2,-0.2 5,-0.3 0.852 113.1 53.0 -71.1 -36.9 5.5 60.3 28.1 184 184 A S H X S+ 0 0 14 -4,-2.4 4,-0.9 1,-0.2 -2,-0.2 0.863 115.0 41.3 -71.1 -34.2 4.8 62.2 24.8 185 185 A V H < S+ 0 0 0 -4,-2.6 4,-0.4 -5,-0.2 -1,-0.2 0.854 109.6 62.5 -75.0 -34.5 8.4 63.2 24.5 186 186 A N H >< S+ 0 0 15 -4,-1.9 3,-0.5 -5,-0.3 -2,-0.2 0.935 115.4 27.0 -57.9 -52.9 9.6 59.8 25.6 187 187 A M H 3X S+ 0 0 8 -4,-1.8 4,-1.8 1,-0.2 3,-0.4 0.619 114.4 63.5 -92.8 -13.6 8.1 57.8 22.7 188 188 A R T 3< S+ 0 0 20 -4,-0.9 -1,-0.2 -5,-0.3 -2,-0.2 0.530 102.9 55.8 -70.0 -11.3 8.2 60.7 20.4 189 189 A M T <4 S+ 0 0 27 -3,-0.5 -94,-1.9 -4,-0.4 -2,-0.2 0.501 119.4 26.1 -99.9 -11.0 12.0 60.2 21.0 190 190 A K T 4 S+ 0 0 37 -3,-0.4 -2,-0.2 -96,-0.3 -3,-0.1 0.451 128.9 38.2-135.5 -9.9 12.0 56.5 20.0 191 191 A L S X S+ 0 0 0 -4,-1.8 4,-1.9 2,-0.1 5,-0.2 -0.028 84.5 111.0-119.8 21.2 9.2 56.1 17.5 192 192 A G H > S+ 0 0 0 1,-0.2 4,-1.7 2,-0.2 -98,-0.1 0.823 78.0 47.5 -65.2 -32.9 10.0 59.6 16.1 193 193 A N H > S+ 0 0 23 -100,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.734 106.3 58.5 -81.2 -23.8 11.2 58.0 12.8 194 194 A L H > S+ 0 0 0 2,-0.2 4,-1.4 1,-0.2 -2,-0.2 0.898 111.4 41.4 -65.3 -42.3 8.1 55.9 12.7 195 195 A Y H X S+ 0 0 8 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.882 111.0 57.6 -70.3 -39.4 6.0 59.1 12.7 196 196 A K H X S+ 0 0 34 -4,-1.7 4,-1.5 1,-0.2 -2,-0.2 0.908 106.8 48.8 -57.3 -44.5 8.4 60.8 10.3 197 197 A A H X S+ 0 0 3 -4,-1.9 4,-1.0 1,-0.2 -1,-0.2 0.879 110.7 49.0 -65.9 -41.6 7.9 58.0 7.7 198 198 A F H < S+ 0 0 0 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.809 110.4 51.6 -70.0 -30.3 4.1 58.1 7.9 199 199 A H H < S+ 0 0 70 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.800 115.3 40.8 -76.0 -30.5 4.0 61.9 7.6 200 200 A Q H < S+ 0 0 98 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.572 118.1 48.8 -91.7 -13.0 6.2 61.8 4.4 201 201 A N <> + 0 0 60 -4,-1.0 2,-0.6 -5,-0.1 5,-0.5 -0.397 63.6 168.3-129.1 57.2 4.5 58.8 2.9 202 202 A P T 5 + 0 0 40 0, 0.0 2,-0.3 0, 0.0 7,-0.2 -0.593 46.2 73.5 -68.9 112.6 0.7 59.2 3.0 203 203 A G B >>S-G 208 0D 7 5,-1.2 5,-1.5 -2,-0.6 4,-0.7 -0.981 94.4 -44.6 176.7-154.7 -0.5 56.4 0.8 204 204 A V T 45S+ 0 0 30 -2,-0.3 118,-0.4 3,-0.2 5,-0.1 0.472 121.1 55.4 -87.9 -4.1 -1.2 52.9 -0.1 205 205 A L T 45S+ 0 0 65 -4,-0.2 -1,-0.2 3,-0.1 -117,-0.1 0.872 117.1 32.3 -93.4 -50.2 2.1 51.6 1.3 206 206 A T T 4> - 0 0 82 -2,-0.3 4,-2.6 1,-0.2 3,-0.6 -0.680 20.4-158.6 -73.8 112.9 -3.6 68.4 2.5 214 214 A P H 3> S+ 0 0 16 0, 0.0 4,-2.1 0, 0.0 5,-0.3 0.880 86.0 75.6 -65.6 -34.0 -6.8 67.1 1.1 215 215 A D H 34 S+ 0 0 39 1,-0.2 4,-0.3 2,-0.2 172,-0.2 0.892 117.0 14.3 -32.2 -57.7 -6.7 69.9 -1.4 216 216 A V H X4 S+ 0 0 54 -3,-0.6 3,-1.0 2,-0.1 171,-0.2 0.883 122.4 60.1 -92.8 -42.5 -4.0 68.0 -3.3 217 217 A F H >X S+ 0 0 16 -4,-2.6 4,-1.3 1,-0.3 3,-0.6 0.768 94.3 66.2 -64.8 -28.7 -4.1 64.4 -1.9 218 218 A W G >< S+ 0 0 0 -4,-2.1 2,-1.7 1,-0.3 3,-0.6 0.917 93.4 62.1 -54.1 -45.0 -7.7 63.9 -3.0 219 219 A S G <4 S+ 0 0 18 -3,-1.0 -1,-0.3 168,-0.4 -2,-0.1 -0.253 110.6 37.6 -78.0 47.5 -6.6 64.2 -6.6 220 220 A V G <> S+ 0 0 45 -2,-1.7 4,-1.4 -3,-0.6 3,-0.4 0.253 90.9 82.5-171.0 -24.9 -4.4 61.1 -6.3 221 221 A I H XX S+ 0 0 0 -4,-1.3 4,-2.7 -3,-0.6 3,-0.6 0.933 93.6 53.8 -53.9 -47.6 -6.4 58.7 -4.0 222 222 A P H 34 S+ 0 0 33 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.723 106.2 51.9 -64.2 -22.8 -8.3 57.7 -7.2 223 223 A C H 34 S+ 0 0 87 -3,-0.4 3,-0.3 1,-0.1 -2,-0.2 0.780 115.6 42.4 -73.8 -31.4 -5.0 56.8 -9.0 224 224 A L H << S+ 0 0 43 -4,-1.4 2,-1.4 -3,-0.6 -3,-0.1 0.860 107.2 58.1 -84.4 -42.2 -4.0 54.7 -6.0 225 225 A M < + 0 0 3 -4,-2.7 2,-1.2 -5,-0.1 -1,-0.2 -0.449 68.3 160.0 -88.1 60.0 -7.3 52.9 -5.3 226 226 A D + 0 0 123 -2,-1.4 2,-0.3 -3,-0.3 106,-0.1 -0.731 47.7 55.5 -89.8 96.6 -7.6 51.4 -8.7 227 227 A G S S- 0 0 40 -2,-1.2 -2,-0.1 1,-0.2 109,-0.1 -0.924 101.8 -40.4 177.2-158.3 -10.0 48.5 -8.1 228 228 A H - 0 0 75 105,-2.2 2,-0.3 -2,-0.3 -1,-0.2 0.137 69.1-116.0 -71.8-159.6 -13.5 48.0 -6.7 229 229 A L + 0 0 15 103,-0.2 136,-0.9 108,-0.1 2,-0.3 -0.985 34.4 163.3-156.2 140.4 -14.4 50.1 -3.6 230 230 A M E -I 331 0D 6 101,-2.1 101,-2.8 -2,-0.3 2,-0.3 -0.985 11.1-170.2-147.4 149.2 -15.4 49.9 0.0 231 231 A A E -I 330 0D 3 -2,-0.3 2,-0.3 99,-0.2 99,-0.2 -0.997 6.8-180.0-143.6 150.6 -15.4 52.5 2.8 232 232 A F E -I 329 0D 1 97,-0.7 97,-2.1 -2,-0.3 2,-0.3 -0.867 13.9-176.7-140.6 169.7 -15.9 52.3 6.5 233 233 A D E -K 354 0E 15 121,-1.8 121,-2.8 -2,-0.3 2,-0.3 -0.911 20.6-140.3-161.3 149.1 -16.1 54.2 9.7 234 234 A Y E -K 353 0E 8 -2,-0.3 2,-0.5 119,-0.2 3,-0.3 -0.802 11.6-127.4-113.9 159.6 -16.6 53.0 13.3 235 235 A S S S- 0 0 61 117,-1.9 117,-0.4 -2,-0.3 5,-0.1 -0.939 97.3 -3.5 -99.6 131.3 -18.5 54.1 16.3 236 236 A N S > S+ 0 0 82 -2,-0.5 4,-1.2 3,-0.1 -1,-0.2 0.950 79.1 167.1 45.1 62.3 -16.2 54.4 19.4 237 237 A F T >4 S+ 0 0 6 -3,-0.3 3,-0.7 2,-0.2 4,-0.5 0.985 70.9 49.2 -60.1 -59.6 -13.2 53.0 17.5 238 238 A D G >4 S+ 0 0 34 1,-0.3 47,-2.2 2,-0.2 3,-1.3 0.895 113.5 44.1 -50.5 -55.9 -10.6 54.0 20.2 239 239 A A G 34 S+ 0 0 2 45,-0.3 -1,-0.3 1,-0.2 -2,-0.2 0.761 108.2 60.3 -61.6 -28.8 -12.5 52.5 23.2 240 240 A S G << S+ 0 0 18 -4,-1.2 2,-1.6 -3,-0.7 -1,-0.2 0.492 70.9 116.2 -81.6 -4.8 -13.4 49.3 21.3 241 241 A L < - 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