==== 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 24-FEB-04 1SH2 . COMPND 2 MOLECULE: RNA POLYMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: NORWALK VIRUS; . AUTHOR K.K.NG,N.PENDAS-FRANCO,J.ROJO,J.A.BOGA,A.MACHIN,J.M.ALONSO,F . 502 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22848.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 322 64.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 57 11.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 6 1.2 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 . 27 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 164 32.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.0 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 0 1 1 0 1 2 0 2 2 2 0 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 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 PARALLEL BRIDGES PER LADDER . 3 4 2 3 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 ANTIPARALLEL BRIDGES PER LADDER . 3 2 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 6 A G 0 0 99 0, 0.0 7,-1.8 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0-158.8 10.7 101.0 23.9 2 7 A T E -A 7 0A 105 5,-0.2 2,-0.6 285,-0.0 3,-0.1 -0.997 360.0-151.8-142.8 130.7 13.7 98.7 24.5 3 8 A Y E > S-A 6 0A 21 3,-2.9 3,-1.9 -2,-0.4 282,-0.0 -0.886 77.0 -42.1-115.6 107.2 17.4 99.5 25.5 4 9 A C T 3 S- 0 0 58 -2,-0.6 -1,-0.2 1,-0.2 62,-0.2 0.907 124.9 -38.3 23.4 67.6 19.9 96.9 24.3 5 10 A G T 3 S+ 0 0 45 1,-0.2 -1,-0.2 -3,-0.1 58,-0.0 -0.003 119.1 101.3 92.3 -28.1 17.5 94.0 25.3 6 11 A A E < S-A 3 0A 4 -3,-1.9 -3,-2.9 1,-0.1 -1,-0.2 -0.738 76.8-109.3 -94.7 137.4 16.1 95.4 28.5 7 12 A P E -A 2 0A 69 0, 0.0 281,-2.1 0, 0.0 2,-0.4 -0.352 31.3-128.2 -59.5 140.1 12.6 97.0 28.8 8 13 A I E +B 287 0B 45 -7,-1.8 279,-0.3 279,-0.2 277,-0.0 -0.762 26.3 178.3 -91.7 138.1 12.6 100.8 29.4 9 14 A L E - 0 0 108 277,-3.1 278,-0.2 1,-0.4 -1,-0.1 0.696 58.5 -49.2-108.3 -29.9 10.6 102.1 32.3 10 15 A G E S-B 286 0B 22 276,-1.4 276,-3.0 0, 0.0 -1,-0.4 -0.963 76.8 -38.4 176.8-171.8 11.3 105.9 32.1 11 16 A P E -B 285 0B 109 0, 0.0 274,-0.2 0, 0.0 2,-0.2 -0.293 58.5-104.3 -73.0 158.5 14.0 108.6 31.9 12 17 A G + 0 0 25 272,-0.6 274,-0.1 271,-0.6 269,-0.0 -0.549 34.3 173.7 -79.8 150.9 17.3 108.5 33.6 13 18 A S + 0 0 89 -2,-0.2 -1,-0.1 272,-0.2 271,-0.1 0.121 39.3 112.2-145.9 16.5 17.9 110.7 36.7 14 19 A A S S- 0 0 23 1,-0.1 3,-0.1 102,-0.0 -2,-0.0 -0.610 74.0 -89.7 -96.0 156.2 21.3 109.7 37.9 15 20 A P - 0 0 77 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.211 55.9 -88.8 -53.5 151.6 24.5 111.7 38.0 16 21 A K - 0 0 188 1,-0.1 2,-0.1 267,-0.1 3,-0.1 -0.157 54.9 -86.7 -59.9 158.9 26.7 111.5 35.0 17 22 A L - 0 0 23 1,-0.1 -1,-0.1 -3,-0.1 37,-0.1 -0.461 53.6 -94.6 -70.7 144.3 29.4 108.8 34.9 18 23 A S - 0 0 65 -2,-0.1 -1,-0.1 1,-0.1 142,-0.0 -0.326 28.1-171.2 -65.5 136.3 32.7 109.6 36.6 19 24 A T + 0 0 56 -3,-0.1 2,-0.3 -2,-0.1 -1,-0.1 -0.013 65.9 87.1-106.9 23.9 35.6 110.9 34.4 20 25 A K - 0 0 92 20,-0.1 2,-0.3 25,-0.0 399,-0.2 -0.833 57.9-156.7-128.7 157.8 37.8 110.6 37.4 21 26 A T E -F 418 0C 0 397,-2.0 397,-1.9 -2,-0.3 399,-0.1 -0.970 19.0-145.5-131.9 149.4 40.1 108.0 39.2 22 27 A K E S+ 0 0 59 -2,-0.3 393,-3.6 395,-0.2 2,-0.5 0.415 73.6 104.4 -87.7 0.3 41.3 107.7 42.8 23 28 A F E +F 414 0C 13 391,-0.2 2,-0.4 395,-0.2 391,-0.2 -0.741 47.0 179.8 -94.3 125.3 44.6 106.2 41.4 24 29 A W E -F 413 0C 32 389,-3.3 389,-3.4 -2,-0.5 2,-0.2 -0.935 36.6-105.4-118.5 144.1 47.7 108.3 41.3 25 30 A R E -Fg 412 424C 27 398,-1.5 400,-1.4 396,-1.2 387,-0.2 -0.516 26.1-146.2 -61.7 129.3 51.2 107.4 40.2 26 31 A S S S- 0 0 8 385,-2.2 2,-0.3 -2,-0.2 -1,-0.1 0.695 71.2 -6.5 -74.7 -20.8 53.3 106.9 43.3 27 32 A S S S- 0 0 8 384,-0.4 433,-0.1 2,-0.2 -1,-0.0 -0.929 71.5 -97.3-159.3 179.5 56.5 108.2 41.6 28 33 A T S S+ 0 0 99 -2,-0.3 3,-0.1 432,-0.1 432,-0.0 0.322 76.7 127.9 -89.8 7.0 58.2 109.4 38.4 29 34 A A S S- 0 0 27 1,-0.1 -2,-0.2 427,-0.1 -3,-0.1 -0.394 75.7 -90.9 -64.7 137.1 59.7 105.9 38.0 30 35 A P - 0 0 116 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.278 36.7-127.6 -51.9 125.3 59.0 104.4 34.5 31 36 A L - 0 0 44 -3,-0.1 3,-0.1 1,-0.1 -6,-0.0 -0.721 32.2-118.2 -76.7 112.8 55.8 102.4 34.5 32 37 A P > - 0 0 45 0, 0.0 3,-2.3 0, 0.0 2,-0.1 -0.234 32.1 -97.2 -58.6 133.9 56.8 99.0 33.0 33 38 A P T 3 S+ 0 0 140 0, 0.0 3,-0.1 0, 0.0 0, 0.0 -0.324 112.7 26.5 -51.7 118.9 55.1 98.0 29.7 34 39 A G T 3 S+ 0 0 50 1,-0.4 133,-0.4 -3,-0.1 134,-0.1 0.028 85.0 134.2 114.1 -25.3 52.2 95.8 30.7 35 40 A T < - 0 0 23 -3,-2.3 -1,-0.4 1,-0.1 132,-0.1 -0.277 65.6 -99.1 -55.2 139.5 51.6 97.1 34.2 36 41 A Y - 0 0 61 368,-0.2 130,-0.2 130,-0.1 -1,-0.1 -0.170 38.4-160.0 -62.0 155.1 47.9 97.7 34.9 37 42 A E E -H 165 0D 28 128,-2.5 128,-3.3 -3,-0.1 126,-0.1 -0.950 32.7 -83.1-134.7 155.5 46.6 101.3 34.6 38 43 A P E -H 164 0D 0 0, 0.0 126,-0.3 0, 0.0 3,-0.1 -0.269 62.9 -86.5 -63.2 146.0 43.4 102.8 36.0 39 44 A A - 0 0 0 124,-2.5 137,-0.1 1,-0.1 131,-0.1 -0.014 58.3 -71.5 -57.0 157.0 40.2 102.2 34.0 40 45 A Y - 0 0 0 135,-0.4 -1,-0.1 129,-0.3 -20,-0.1 -0.164 38.7-159.1 -54.9 135.7 39.1 104.4 31.0 41 46 A L - 0 0 3 1,-0.3 3,-0.2 -22,-0.1 2,-0.2 0.259 42.6 -94.9-109.8 8.2 37.8 107.8 32.0 42 47 A G > - 0 0 3 1,-0.2 3,-2.1 2,-0.1 -1,-0.3 -0.556 62.4 -33.7 114.4-173.3 35.7 108.9 29.0 43 48 A G T 3 S+ 0 0 43 1,-0.3 7,-0.9 -2,-0.2 8,-0.3 0.578 134.7 45.7 -63.8 -13.6 35.8 110.9 25.8 44 49 A K T 3 S+ 0 0 199 -3,-0.2 -1,-0.3 5,-0.1 5,-0.1 0.121 75.2 141.4-117.5 13.8 38.2 113.4 27.3 45 50 A D X - 0 0 4 -3,-2.1 3,-0.7 3,-0.3 6,-0.1 -0.459 52.6-138.5 -52.6 118.6 40.6 110.9 28.9 46 51 A P T 3 S+ 0 0 70 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.673 102.4 51.1 -60.2 -19.7 44.1 112.4 28.4 47 52 A R T 3 S+ 0 0 46 1,-0.2 2,-0.5 123,-0.0 -2,-0.1 0.770 113.4 45.3 -86.7 -32.1 45.4 108.9 27.5 48 53 A V S X S- 0 0 24 -3,-0.7 2,-0.6 -6,-0.2 3,-0.6 -0.931 72.9-160.3-119.9 109.9 42.7 108.2 24.9 49 54 A K T 3 S+ 0 0 200 -2,-0.5 -5,-0.1 1,-0.2 -6,-0.1 -0.781 77.0 3.2 -92.5 119.9 41.8 110.8 22.4 50 55 A G T 3 S+ 0 0 78 -7,-0.9 -1,-0.2 -2,-0.6 -7,-0.1 0.935 89.4 160.0 74.4 49.3 38.4 110.4 20.7 51 56 A G < - 0 0 19 -3,-0.6 -1,-0.2 -8,-0.3 3,-0.1 -0.546 45.9 -71.5 -99.3 169.8 37.3 107.3 22.7 52 57 A P - 0 0 55 0, 0.0 -1,-0.2 0, 0.0 -10,-0.1 -0.183 55.8 -95.0 -68.2 147.7 33.7 106.0 23.1 53 58 A S >> - 0 0 63 1,-0.1 4,-1.7 -11,-0.1 3,-0.5 -0.245 29.8-121.2 -55.5 144.7 31.2 107.8 25.3 54 59 A L H 3> S+ 0 0 19 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.773 113.7 64.6 -59.6 -25.7 31.0 106.4 28.8 55 60 A Q H 3> S+ 0 0 35 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.918 103.2 44.6 -60.8 -48.3 27.4 105.7 28.1 56 61 A Q H <> S+ 0 0 79 -3,-0.5 4,-2.4 2,-0.2 -2,-0.2 0.856 107.7 58.1 -65.6 -40.4 28.3 103.2 25.3 57 62 A V H X S+ 0 0 1 -4,-1.7 4,-0.5 1,-0.2 119,-0.3 0.872 109.2 45.7 -57.7 -38.5 30.9 101.5 27.6 58 63 A M H X S+ 0 0 1 -4,-1.6 4,-0.5 2,-0.2 3,-0.3 0.808 107.6 59.6 -74.2 -30.5 28.1 100.9 30.1 59 64 A R H >X S+ 0 0 64 -4,-1.3 3,-2.0 1,-0.2 4,-1.1 0.937 99.8 54.0 -58.9 -52.8 25.9 99.6 27.2 60 65 A D H 3< S+ 0 0 60 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.726 106.6 55.5 -55.2 -23.0 28.4 96.9 26.3 61 66 A Q H 3< S+ 0 0 35 -4,-0.5 4,-0.4 -3,-0.3 -1,-0.3 0.653 100.9 58.0 -82.0 -18.8 28.1 95.8 29.9 62 67 A L H X S+ 0 0 104 -4,-1.1 4,-1.4 1,-0.2 3,-0.9 0.882 92.3 50.7 -51.0 -53.7 24.4 92.9 26.8 64 69 A P H 34 S+ 0 0 11 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.817 108.5 55.2 -61.3 -29.2 25.5 89.8 28.9 65 70 A F H 34 S+ 0 0 10 -3,-0.5 226,-0.2 -4,-0.4 -2,-0.2 0.738 113.0 39.6 -71.3 -28.8 22.8 90.5 31.4 66 71 A T H << S+ 0 0 49 -4,-1.0 -1,-0.2 -3,-0.9 -3,-0.1 0.485 93.4 110.4-101.5 -11.6 20.0 90.5 28.8 67 72 A E S < S- 0 0 80 -4,-1.4 -62,-0.0 -5,-0.2 224,-0.0 -0.237 86.6 -82.9 -52.1 148.9 21.5 87.6 26.9 68 73 A P - 0 0 119 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.293 50.2-119.1 -51.5 141.1 19.6 84.3 27.0 69 74 A R - 0 0 49 1,-0.2 292,-0.2 -3,-0.1 176,-0.1 -0.418 26.1-108.7 -77.4 160.7 20.4 82.3 30.2 70 75 A G - 0 0 27 290,-0.6 290,-0.2 174,-0.3 -1,-0.2 0.028 56.4 -63.6 -67.7-170.6 22.0 78.9 30.0 71 76 A K - 0 0 131 288,-3.2 -1,-0.2 287,-0.1 3,-0.1 -0.664 57.1-120.2 -76.2 133.8 20.0 75.8 30.9 72 77 A P - 0 0 73 0, 0.0 289,-0.1 0, 0.0 -1,-0.0 -0.508 35.2 -96.7 -68.6 145.3 19.0 75.7 34.5 73 78 A P - 0 0 4 0, 0.0 5,-0.1 0, 0.0 242,-0.0 -0.319 59.5 -76.7 -55.7 146.9 20.3 72.8 36.6 74 79 A K >> - 0 0 128 1,-0.1 4,-2.1 240,-0.1 3,-0.9 -0.271 46.4-128.3 -48.4 124.5 17.7 70.0 36.9 75 80 A P H 3> S+ 0 0 103 0, 0.0 4,-2.2 0, 0.0 -1,-0.1 0.811 105.7 53.0 -51.6 -36.6 15.2 71.4 39.5 76 81 A S H 3> S+ 0 0 71 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.831 109.9 47.4 -70.5 -35.4 15.4 68.2 41.7 77 82 A V H <> S+ 0 0 19 -3,-0.9 4,-2.3 2,-0.2 -1,-0.2 0.847 111.4 51.4 -73.3 -34.4 19.2 68.4 41.9 78 83 A L H X S+ 0 0 26 -4,-2.1 4,-3.0 2,-0.2 -2,-0.2 0.925 109.9 50.2 -65.0 -44.1 19.1 72.1 42.7 79 84 A E H X S+ 0 0 93 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.877 111.9 46.9 -61.0 -41.9 16.6 71.4 45.5 80 85 A A H X S+ 0 0 38 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.871 111.3 51.7 -67.8 -39.2 18.8 68.6 46.9 81 86 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.944 110.4 49.1 -60.3 -47.2 21.8 70.9 46.7 82 87 A K H X S+ 0 0 26 -4,-3.0 4,-2.8 1,-0.2 -2,-0.2 0.950 112.4 48.1 -53.0 -50.8 19.8 73.6 48.6 83 88 A K H X S+ 0 0 99 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.815 109.0 53.8 -62.3 -34.0 18.8 70.9 51.2 84 89 A T H X S+ 0 0 3 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.940 111.1 45.2 -66.0 -48.5 22.5 69.8 51.5 85 90 A I H X S+ 0 0 0 -4,-2.4 4,-3.0 2,-0.2 5,-0.3 0.952 110.5 52.9 -57.0 -54.5 23.6 73.4 52.2 86 91 A I H X S+ 0 0 6 -4,-2.8 4,-3.0 1,-0.2 -1,-0.2 0.910 110.7 50.4 -46.5 -46.8 20.8 74.0 54.7 87 92 A N H X S+ 0 0 68 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.912 110.1 47.3 -60.2 -47.9 22.0 70.8 56.4 88 93 A V H < S+ 0 0 26 -4,-2.3 4,-0.4 1,-0.2 -2,-0.2 0.925 116.6 44.5 -59.9 -46.1 25.6 72.0 56.5 89 94 A L H >X S+ 0 0 4 -4,-3.0 4,-2.9 1,-0.2 3,-0.8 0.865 109.7 55.7 -66.5 -39.8 24.6 75.4 57.9 90 95 A E H 3< S+ 0 0 113 -4,-3.0 -1,-0.2 -5,-0.3 -2,-0.2 0.840 111.7 43.9 -61.2 -35.4 22.2 73.8 60.4 91 96 A Q T 3< S+ 0 0 141 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.523 124.0 36.7 -85.1 -6.8 25.0 71.7 61.8 92 97 A T T <4 S+ 0 0 40 -3,-0.8 -2,-0.2 -4,-0.4 -3,-0.2 0.813 104.6 53.1-112.5 -45.9 27.4 74.7 61.8 93 98 A I < - 0 0 16 -4,-2.9 108,-0.1 -5,-0.1 107,-0.0 -0.235 61.1-130.0-101.9 179.3 25.9 78.0 62.7 94 99 A D - 0 0 101 103,-0.1 -1,-0.1 -2,-0.1 106,-0.1 -0.766 42.3 -80.9-117.5 163.9 23.7 79.7 65.4 95 100 A P - 0 0 119 0, 0.0 166,-0.1 0, 0.0 167,-0.1 -0.591 60.3-126.7 -58.8 124.3 20.6 81.8 65.4 96 101 A P - 0 0 16 0, 0.0 2,-0.2 0, 0.0 101,-0.2 -0.280 19.2 -97.1 -76.6 162.8 21.9 85.3 64.5 97 102 A D - 0 0 121 99,-0.3 165,-0.2 1,-0.1 99,-0.2 -0.530 39.7-110.7 -74.3 144.1 21.4 88.5 66.4 98 103 A K - 0 0 127 -2,-0.2 2,-0.6 164,-0.1 95,-0.1 -0.482 26.3-135.4 -66.4 143.0 18.7 90.9 65.2 99 104 A W - 0 0 35 93,-0.5 96,-0.1 -2,-0.2 -1,-0.0 -0.929 17.3-150.8-106.6 111.5 19.9 94.2 63.7 100 105 A S > - 0 0 43 -2,-0.6 4,-1.9 1,-0.1 5,-0.1 -0.013 33.3 -98.8 -57.2 172.3 18.0 97.3 64.9 101 106 A F H > S+ 0 0 54 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.939 123.9 55.5 -58.4 -49.4 17.6 100.5 62.8 102 107 A A H > S+ 0 0 67 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.898 110.0 43.3 -52.2 -51.6 20.6 102.1 64.6 103 108 A Q H > S+ 0 0 92 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.861 111.0 55.8 -64.7 -39.1 23.0 99.2 63.8 104 109 A A H X S+ 0 0 0 -4,-1.9 4,-0.7 2,-0.2 -2,-0.2 0.927 111.3 43.6 -60.4 -46.6 21.7 99.1 60.2 105 110 A C H >< S+ 0 0 4 -4,-2.6 3,-0.9 1,-0.2 -2,-0.2 0.909 113.2 51.6 -61.9 -47.1 22.5 102.8 59.7 106 111 A A H 3< S+ 0 0 62 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.867 103.4 60.1 -57.2 -38.5 25.9 102.4 61.5 107 112 A S H 3< S+ 0 0 57 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.710 84.5 100.0 -68.3 -23.9 26.9 99.5 59.3 108 113 A L S << S- 0 0 22 -3,-0.9 2,-0.2 -4,-0.7 80,-0.0 -0.385 83.1-107.8 -72.7 139.2 26.7 101.4 56.0 109 114 A D - 0 0 87 1,-0.2 3,-0.2 -2,-0.1 13,-0.2 -0.457 29.1-165.2 -53.6 124.2 29.7 102.8 54.1 110 115 A K S S+ 0 0 27 -2,-0.2 13,-2.7 1,-0.2 14,-0.2 0.592 78.9 68.7 -93.0 -12.2 29.4 106.6 54.6 111 116 A T S S+ 0 0 88 11,-0.2 2,-0.2 10,-0.1 -1,-0.2 0.562 93.6 71.8 -83.1 -8.9 32.0 107.5 51.9 112 117 A T S S- 0 0 60 -3,-0.2 10,-2.9 1,-0.1 11,-0.2 -0.614 90.7 -79.9-108.6 170.7 29.6 106.3 49.1 113 118 A S B -I 121 0E 55 8,-0.3 8,-0.3 -2,-0.2 -1,-0.1 -0.258 18.7-137.2 -71.9 145.4 26.4 107.5 47.5 114 119 A S - 0 0 0 6,-2.3 70,-1.9 1,-0.2 71,-0.2 0.569 44.4-155.5 -69.9 -12.6 22.9 107.1 48.9 115 120 A G > + 0 0 2 68,-0.2 4,-3.2 2,-0.1 5,-0.3 -0.272 45.6 53.8 66.8-154.8 21.8 106.3 45.3 116 121 A H T 4 S- 0 0 64 39,-0.5 68,-0.5 65,-0.3 69,-0.4 -0.303 113.5 -7.4 -62.6 138.0 18.2 106.8 44.1 117 122 A P T 4 S+ 0 0 64 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 -0.987 135.0 34.2-101.1 -2.3 16.7 109.3 44.3 118 123 A H T 4 S- 0 0 52 -3,-0.2 -2,-0.2 -4,-0.2 -3,-0.1 0.710 73.6-156.6 -87.8 -24.1 18.7 111.8 46.3 119 124 A H < + 0 0 37 -4,-3.2 2,-0.4 1,-0.2 -3,-0.1 0.907 34.1 152.8 51.4 56.6 22.2 110.7 45.2 120 125 A M - 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0 0 56 -400,-1.4 3,-0.1 -2,-0.2 39,-0.1 -0.977 21.5-121.0-145.9 127.7 51.3 112.2 44.5 426 431 A I - 0 0 121 -2,-0.3 -399,-0.1 1,-0.1 35,-0.1 -0.308 53.0 -78.5 -60.5 152.2 53.7 112.2 47.6 427 432 A P - 0 0 30 0, 0.0 -1,-0.1 0, 0.0 -401,-0.0 -0.314 45.7-137.4 -61.9 133.1 53.0 109.3 50.1 428 433 A H - 0 0 114 -3,-0.1 3,-0.4 1,-0.1 -13,-0.0 -0.104 36.0 -91.9 -72.9 178.0 50.1 109.8 52.5 429 434 A S S S+ 0 0 84 1,-0.2 4,-0.3 2,-0.1 -1,-0.1 0.703 131.7 46.3 -63.9 -19.8 50.2 108.9 56.2 430 435 A Q S > S+ 0 0 113 2,-0.1 4,-2.3 1,-0.1 -1,-0.2 0.605 93.1 78.7 -97.2 -16.4 48.9 105.5 55.1 431 436 A R H > S+ 0 0 4 -3,-0.4 4,-2.9 2,-0.2 5,-0.2 0.907 93.2 46.8 -65.9 -45.6 51.2 104.9 52.1 432 437 A P H > S+ 0 0 39 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.845 113.5 51.9 -63.9 -32.2 54.3 103.8 54.1 433 438 A I H > S+ 0 0 95 -4,-0.3 4,-1.4 2,-0.2 -2,-0.2 0.888 112.1 45.2 -65.7 -41.5 51.9 101.5 56.1 434 439 A Q H X S+ 0 0 45 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.875 112.0 52.9 -67.4 -39.4 50.6 100.1 52.8 435 440 A L H X S+ 0 0 0 -4,-2.9 4,-1.5 1,-0.2 -2,-0.2 0.823 106.9 51.5 -65.9 -33.8 54.2 99.8 51.5 436 441 A M H X S+ 0 0 8 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.844 108.0 53.0 -71.2 -34.9 55.3 97.8 54.6 437 442 A S H X S+ 0 0 22 -4,-1.4 4,-2.1 2,-0.2 -2,-0.2 0.891 107.9 49.6 -66.6 -41.0 52.4 95.4 54.1 438 443 A L H X S+ 0 0 3 -4,-1.8 4,-3.2 2,-0.2 -2,-0.2 0.866 107.4 55.1 -68.1 -35.5 53.3 94.7 50.5 439 444 A L H X S+ 0 0 0 -4,-1.5 4,-1.7 2,-0.2 -2,-0.2 0.942 106.0 52.5 -57.9 -48.9 56.9 94.1 51.6 440 445 A G H < S+ 0 0 0 -4,-2.0 3,-0.5 2,-0.2 4,-0.4 0.934 111.7 45.7 -47.7 -53.1 55.5 91.5 54.0 441 446 A E H >< S+ 0 0 8 -4,-2.1 3,-1.4 1,-0.2 -2,-0.2 0.930 111.5 51.6 -56.7 -49.4 53.7 89.9 51.0 442 447 A A H >< S+ 0 0 0 -4,-3.2 3,-1.8 1,-0.2 -1,-0.2 0.737 95.1 73.9 -58.6 -26.0 56.8 90.1 48.9 443 448 A A G >< S+ 0 0 1 -4,-1.7 3,-0.7 -3,-0.5 -1,-0.2 0.722 88.0 59.1 -65.1 -22.7 58.8 88.3 51.7 444 449 A L G < S+ 0 0 12 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.1 0.296 95.8 68.6 -89.5 10.9 57.1 85.0 50.9 445 450 A H G < S- 0 0 35 -3,-1.8 4,-0.3 1,-0.2 -1,-0.2 0.393 103.3-109.4-108.4 -4.5 58.5 85.1 47.3 446 451 A G <> - 0 0 26 -3,-0.7 4,-1.8 -4,-0.2 3,-0.4 -0.052 45.5 -57.3 86.7 165.7 62.3 84.7 47.8 447 452 A P H > S+ 0 0 98 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.700 121.3 55.7 -63.7 -37.7 65.2 87.1 47.4 448 453 A A H > S+ 0 0 87 1,-0.2 4,-1.4 2,-0.2 -2,-0.1 0.938 115.3 39.8 -63.7 -46.8 65.0 88.4 43.8 449 454 A F H > S+ 0 0 12 -3,-0.4 4,-2.6 -4,-0.3 5,-0.2 0.878 114.4 53.2 -66.3 -39.7 61.4 89.7 44.2 450 455 A Y H X S+ 0 0 11 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.904 109.5 48.8 -63.3 -41.5 62.0 90.9 47.7 451 456 A S H X S+ 0 0 53 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.827 110.9 52.6 -60.7 -35.7 65.0 92.9 46.4 452 457 A K H X S+ 0 0 103 -4,-1.4 4,-1.0 -5,-0.2 -2,-0.2 0.924 113.3 40.9 -68.6 -46.1 62.8 94.2 43.6 453 458 A I H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.824 114.2 53.8 -72.7 -33.2 60.0 95.4 46.0 454 459 A S H X S+ 0 0 10 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.906 107.0 51.5 -64.8 -43.1 62.6 96.8 48.5 455 460 A K H X S+ 0 0 139 -4,-1.9 4,-1.2 1,-0.2 -1,-0.2 0.743 111.6 47.3 -66.8 -27.4 64.3 98.9 45.7 456 461 A L H X S+ 0 0 36 -4,-1.0 4,-2.2 2,-0.2 5,-0.2 0.872 109.4 52.6 -82.6 -39.0 60.9 100.4 44.7 457 462 A V H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 5,-0.2 0.915 112.3 45.8 -58.3 -46.1 59.9 101.2 48.3 458 463 A I H X S+ 0 0 71 -4,-2.1 4,-2.1 1,-0.2 10,-0.2 0.905 115.3 46.4 -65.4 -40.9 63.1 103.1 48.9 459 464 A A H X S+ 0 0 53 -4,-1.2 4,-1.2 2,-0.2 -1,-0.2 0.751 112.6 48.9 -77.7 -28.6 63.0 105.0 45.6 460 465 A E H X S+ 0 0 7 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.965 116.3 42.1 -68.6 -55.4 59.3 106.0 45.9 461 466 A L H <>S+ 0 0 3 -4,-2.1 5,-1.6 1,-0.2 4,-0.5 0.810 109.9 57.5 -64.8 -32.9 59.8 107.3 49.5 462 467 A K H ><5S+ 0 0 128 -4,-2.1 3,-1.1 2,-0.2 -1,-0.2 0.915 105.6 50.2 -62.9 -45.0 63.1 109.0 48.7 463 468 A E H 3<5S+ 0 0 102 -4,-1.2 -1,-0.2 1,-0.3 -2,-0.2 0.858 110.2 52.1 -56.8 -36.9 61.3 111.0 46.0 464 469 A G T 3<5S- 0 0 34 -4,-1.5 -1,-0.3 2,-0.2 -2,-0.2 0.571 127.1-105.2 -73.9 -12.4 58.8 111.8 48.8 465 470 A G T < 5S+ 0 0 57 -3,-1.1 2,-0.3 -4,-0.5 -3,-0.2 -0.030 86.1 104.1 114.9 -29.8 61.7 112.9 51.0 466 471 A M < - 0 0 69 -5,-1.6 2,-0.7 -6,-0.1 -1,-0.3 -0.648 59.8-142.9 -94.6 142.1 62.0 110.0 53.4 467 472 A D - 0 0 110 -2,-0.3 -9,-0.1 -3,-0.1 -8,-0.1 -0.892 33.4-131.3-101.9 106.9 64.6 107.2 53.4 468 473 A F - 0 0 22 -2,-0.7 2,-0.9 -10,-0.2 -10,-0.1 -0.080 4.3-131.0 -65.8 153.6 62.8 104.0 54.4 469 474 A Y - 0 0 140 2,-0.0 -1,-0.1 -11,-0.0 -2,-0.0 -0.818 33.0-168.4-100.0 85.8 63.8 101.4 57.0 470 475 A V - 0 0 42 -2,-0.9 2,-0.1 -16,-0.0 -16,-0.0 -0.696 14.9-133.2 -84.4 121.8 63.4 98.2 55.0 471 476 A P - 0 0 19 0, 0.0 17,-0.1 0, 0.0 2,-0.0 -0.456 25.7-109.4 -66.5 141.7 63.5 95.0 57.0 472 477 A R > - 0 0 201 -2,-0.1 4,-1.6 1,-0.1 5,-0.2 -0.350 37.1-104.2 -64.1 157.9 65.8 92.2 55.6 473 478 A Q H > S+ 0 0 39 1,-0.2 4,-3.3 2,-0.2 5,-0.2 0.898 113.2 53.8 -55.5 -52.2 63.8 89.3 54.2 474 479 A E H > S+ 0 0 126 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.924 108.4 47.9 -55.2 -53.8 64.2 86.7 57.0 475 480 A P H > S+ 0 0 17 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.900 116.4 45.5 -50.4 -45.6 62.9 89.0 59.8 476 481 A M H X S+ 0 0 0 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.904 112.1 51.6 -64.7 -44.8 59.9 89.9 57.7 477 482 A F H X S+ 0 0 49 -4,-3.3 4,-2.0 2,-0.2 5,-0.3 0.909 107.9 52.7 -55.4 -46.7 59.4 86.3 56.7 478 483 A R H X S+ 0 0 90 -4,-2.9 4,-1.8 1,-0.2 6,-1.3 0.911 112.4 43.4 -58.9 -47.9 59.5 85.2 60.4 479 484 A W H X S+ 0 0 56 -4,-1.8 4,-0.5 4,-0.3 -1,-0.2 0.840 114.0 51.6 -66.8 -36.7 56.8 87.8 61.4 480 485 A M H < S+ 0 0 10 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.824 125.8 23.3 -68.6 -32.4 54.7 86.9 58.3 481 486 A R H < S+ 0 0 45 -4,-2.0 -2,-0.2 -5,-0.2 -3,-0.2 0.906 138.0 20.2-100.4 -63.2 54.7 83.2 59.1 482 487 A F H < S- 0 0 100 -4,-1.8 -3,-0.2 -5,-0.3 -2,-0.1 0.185 95.9-120.3 -98.9 14.8 55.4 82.4 62.7 483 488 A S < + 0 0 83 -4,-0.5 2,-0.3 -5,-0.3 -4,-0.3 0.838 64.6 150.9 45.8 41.4 54.3 85.9 64.0 484 489 A D + 0 0 41 -6,-1.3 -1,-0.2 -9,-0.1 -3,-0.1 -0.780 30.2 168.2-107.4 142.6 57.9 86.2 65.4 485 490 A L > + 0 0 49 -2,-0.3 3,-0.5 -7,-0.1 -1,-0.1 0.088 44.7 112.9-143.8 25.9 59.9 89.4 65.9 486 491 A S T 3 S+ 0 0 100 1,-0.2 -1,-0.0 -11,-0.0 -2,-0.0 0.730 91.6 43.8 -63.0 -24.7 62.9 88.3 68.0 487 492 A T T 3 S+ 0 0 47 -12,-0.1 2,-0.4 -13,-0.1 -1,-0.2 0.438 86.9 120.8-100.8 -6.3 64.9 89.1 64.8 488 493 A W < - 0 0 16 -3,-0.5 2,-0.3 -13,-0.2 4,-0.1 -0.476 51.2-151.2 -69.6 118.8 63.0 92.4 64.1 489 494 A E - 0 0 176 -2,-0.4 -2,-0.1 -17,-0.1 2,-0.0 -0.684 56.3 -6.9 -89.7 143.7 65.4 95.4 64.0 490 495 A G S S+ 0 0 63 -2,-0.3 2,-0.1 2,-0.0 -2,-0.0 -0.291 117.5 16.4 74.5-157.5 64.1 98.8 64.9 491 496 A D > - 0 0 86 1,-0.2 3,-0.7 2,-0.1 4,-0.1 -0.281 57.2-162.3 -54.3 119.7 60.5 99.8 65.6 492 497 A R G > S+ 0 0 147 1,-0.2 3,-1.1 2,-0.2 -1,-0.2 0.694 85.0 68.3 -77.1 -22.5 58.5 96.7 66.3 493 498 A N G 3 S+ 0 0 146 1,-0.2 -1,-0.2 3,-0.0 -2,-0.1 0.606 87.3 69.8 -72.9 -11.3 55.2 98.5 65.7 494 499 A L G < + 0 0 60 -3,-0.7 -1,-0.2 2,-0.1 -2,-0.2 0.607 67.1 112.1 -84.9 -13.1 56.1 98.8 62.1 495 500 A A S < S- 0 0 13 -3,-1.1 -58,-0.1 -4,-0.1 -59,-0.0 -0.472 79.6-107.9 -60.6 123.7 55.7 95.1 61.4 496 501 A P - 0 0 9 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.234 30.2-158.8 -65.9 141.6 52.6 94.9 59.1 497 502 A S - 0 0 104 -3,-0.1 2,-0.4 0, 0.0 -17,-0.0 -0.721 14.5-132.4-106.9 166.2 49.2 93.7 60.2 498 503 A F - 0 0 39 -2,-0.3 -281,-0.1 -283,-0.0 2,-0.0 -0.957 6.4-140.4-134.9 120.8 46.5 92.4 57.8 499 504 A V - 0 0 130 -2,-0.4 -283,-0.3 1,-0.1 0, 0.0 -0.309 26.2-116.3 -72.1 155.9 42.8 93.2 57.6 500 505 A N S S+ 0 0 64 -285,-0.1 -286,-0.2 1,-0.1 -285,-0.1 0.482 84.0 70.1 -71.0-146.6 40.1 90.5 56.8 501 506 A E 0 0 95 1,-0.1 -286,-0.1 -290,-0.1 -1,-0.1 0.829 360.0 360.0 25.8 59.8 37.7 90.1 53.8 502 507 A D 0 0 52 -288,-1.2 -287,-0.1 0, 0.0 -1,-0.1 0.996 360.0 360.0 -71.2 360.0 40.8 89.3 51.6