==== 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 1SH3 . 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 . 1005 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 45530.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 646 64.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 110 10.9 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 . 12 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 50 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 105 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 326 32.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 0.8 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 3 0 3 1 1 2 4 1 2 5 3 0 2 1 1 1 3 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 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 0 PARALLEL BRIDGES PER LADDER . 9 6 3 6 0 4 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 4 0 4 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 0 103 0, 0.0 7,-1.8 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 50.6 30.7 -22.4 65.3 2 7 A T E -A 7 0A 90 5,-0.2 2,-0.5 285,-0.0 285,-0.0 -0.645 360.0-153.1-118.4 153.5 30.5 -21.0 61.8 3 8 A Y E > S-A 6 0A 24 3,-2.4 3,-1.7 -2,-0.2 285,-0.1 -0.882 90.7 -37.3-123.7 97.8 28.1 -20.0 59.0 4 9 A C T 3 S- 0 0 25 -2,-0.5 62,-0.2 1,-0.3 -1,-0.0 0.813 127.2 -43.4 55.0 32.6 29.8 -20.3 55.7 5 10 A G T 3 S+ 0 0 39 1,-0.3 -1,-0.3 60,-0.1 -3,-0.0 0.359 117.6 113.2 96.3 -4.3 32.9 -19.1 57.5 6 11 A A E < S-A 3 0A 1 -3,-1.7 -3,-2.4 283,-0.1 -1,-0.3 -0.892 74.1-112.9-105.2 129.1 31.2 -16.3 59.5 7 12 A P E -A 2 0A 65 0, 0.0 281,-1.1 0, 0.0 2,-0.4 -0.392 31.6-128.5 -58.7 119.8 31.0 -16.6 63.3 8 13 A I E -B 287 0B 59 -7,-1.8 279,-0.2 279,-0.2 277,-0.0 -0.606 25.5-176.8 -70.3 125.9 27.4 -17.0 64.2 9 14 A L E - 0 0 110 277,-3.4 -1,-0.2 -2,-0.4 278,-0.1 0.804 54.9 -73.8 -90.9 -36.4 26.4 -14.5 66.9 10 15 A G E S-B 286 0B 17 276,-0.9 276,-3.0 0, 0.0 -1,-0.4 -0.977 75.5 -18.4 169.6-166.5 22.8 -15.8 67.4 11 16 A P - 0 0 112 0, 0.0 274,-0.3 0, 0.0 273,-0.2 -0.254 62.2-127.7 -58.3 145.2 19.3 -15.9 65.9 12 17 A G - 0 0 18 272,-0.4 274,-0.2 271,-0.2 269,-0.0 -0.337 14.1-162.1 -86.6 176.4 18.5 -13.4 63.2 13 18 A S + 0 0 91 272,-0.2 271,-0.1 -2,-0.1 -1,-0.1 0.153 46.7 120.6-146.6 18.3 15.5 -11.1 63.0 14 19 A A - 0 0 16 269,-0.2 3,-0.1 271,-0.2 -2,-0.1 -0.656 63.6-104.2 -92.9 144.7 15.3 -10.0 59.3 15 20 A P - 0 0 78 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.196 49.2 -75.6 -61.9 154.9 12.3 -10.6 57.1 16 21 A K - 0 0 190 1,-0.1 2,-0.2 267,-0.1 3,-0.1 -0.028 57.1 -96.2 -41.1 145.9 12.1 -13.3 54.4 17 22 A L - 0 0 23 1,-0.1 -1,-0.1 -3,-0.1 37,-0.1 -0.488 50.4 -93.5 -70.5 142.2 14.0 -12.6 51.1 18 23 A S - 0 0 62 -2,-0.2 -1,-0.1 1,-0.1 142,-0.1 -0.295 30.3-171.0 -60.7 133.9 11.9 -11.1 48.3 19 24 A T + 0 0 51 -3,-0.1 2,-0.3 2,-0.1 -1,-0.1 -0.055 63.3 92.2-106.8 27.8 10.4 -13.5 45.9 20 25 A K - 0 0 95 400,-0.0 2,-0.3 397,-0.0 399,-0.2 -0.912 59.1-154.0-122.1 145.8 9.3 -10.6 43.7 21 26 A T E -F 418 0C 0 397,-2.3 397,-2.0 -2,-0.3 399,-0.1 -0.842 14.7-145.2-109.9 159.2 10.9 -8.8 40.8 22 27 A K E S+ 0 0 82 -2,-0.3 393,-2.5 395,-0.2 2,-0.3 0.580 73.3 97.1 -91.9 -13.1 10.4 -5.1 39.7 23 28 A F E -F 414 0C 6 391,-0.2 2,-0.3 395,-0.1 391,-0.2 -0.600 49.5-178.2 -85.2 135.3 10.7 -6.0 36.0 24 29 A W E -F 413 0C 40 389,-2.8 389,-2.5 -2,-0.3 2,-0.3 -0.934 38.6 -98.7-121.9 150.8 7.7 -6.6 33.7 25 30 A R E -Fg 412 424C 21 398,-1.4 400,-2.0 396,-0.8 387,-0.3 -0.551 29.0-142.1 -65.4 129.5 7.7 -7.6 30.1 26 31 A S S S- 0 0 3 385,-3.3 2,-0.3 -2,-0.3 -1,-0.1 0.728 72.6 -13.0 -70.6 -22.6 7.1 -4.3 28.1 27 32 A S S S- 0 0 9 384,-0.5 433,-0.1 2,-0.2 434,-0.0 -0.899 74.2 -87.2-155.6-168.5 4.9 -6.1 25.6 28 33 A T S S+ 0 0 92 -2,-0.3 3,-0.1 396,-0.1 432,-0.0 0.216 80.2 124.9 -92.0 10.5 3.6 -9.4 24.0 29 34 A A S S- 0 0 32 1,-0.1 -2,-0.2 382,-0.1 2,-0.2 -0.487 75.0-100.4 -66.0 138.4 6.6 -9.4 21.7 30 35 A P - 0 0 117 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.459 38.0-114.9 -58.2 131.2 8.6 -12.7 21.9 31 36 A L - 0 0 46 -2,-0.2 3,-0.1 1,-0.1 4,-0.1 -0.624 33.8-116.3 -73.0 111.1 11.8 -12.2 24.0 32 37 A P > - 0 0 42 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 -0.187 39.1 -93.9 -53.9 132.4 14.8 -12.6 21.7 33 38 A P T 3 S+ 0 0 137 0, 0.0 3,-0.1 0, 0.0 0, 0.0 -0.228 110.1 21.7 -51.0 126.6 17.0 -15.6 22.7 34 39 A G T 3 S+ 0 0 56 1,-0.4 2,-0.3 -3,-0.1 133,-0.2 0.432 84.2 139.7 90.7 0.4 19.9 -14.7 25.0 35 40 A T < - 0 0 21 -3,-2.0 -1,-0.4 -4,-0.1 130,-0.1 -0.621 62.8-103.0 -69.0 135.9 18.2 -11.5 26.2 36 41 A Y - 0 0 71 -2,-0.3 130,-0.2 368,-0.1 -1,-0.1 -0.239 38.1-157.5 -54.3 145.3 18.8 -11.1 30.0 37 42 A E E -H 165 0D 32 128,-1.9 128,-3.3 -3,-0.1 2,-0.2 -0.740 33.3 -77.0-116.8 170.9 15.9 -12.0 32.2 38 43 A P E -H 164 0D 0 0, 0.0 126,-0.2 0, 0.0 3,-0.1 -0.517 62.8 -93.6 -65.6 138.7 15.2 -10.9 35.8 39 44 A A - 0 0 0 124,-2.8 131,-0.1 -2,-0.2 137,-0.1 0.003 57.2 -66.8 -52.3 154.9 17.2 -12.8 38.4 40 45 A Y - 0 0 0 129,-0.5 -1,-0.1 135,-0.3 130,-0.0 0.009 39.7-161.8 -47.3 144.2 16.0 -15.9 40.2 41 46 A L - 0 0 4 1,-0.4 3,-0.2 -3,-0.1 2,-0.2 0.293 42.3 -94.8-121.7 5.7 13.1 -15.6 42.6 42 47 A G > - 0 0 2 1,-0.2 3,-2.0 10,-0.1 -1,-0.4 -0.579 63.0 -33.3 116.7-172.9 13.2 -18.7 44.8 43 48 A G T 3 S+ 0 0 44 1,-0.3 7,-0.5 -2,-0.2 8,-0.4 0.803 133.8 46.6 -55.1 -36.0 11.8 -22.1 45.2 44 49 A K T 3 S+ 0 0 207 -3,-0.2 -1,-0.3 5,-0.1 5,-0.1 0.074 76.2 144.7 -98.1 22.5 8.4 -21.1 43.7 45 50 A D X - 0 0 8 -3,-2.0 3,-1.0 3,-0.2 6,-0.1 -0.462 50.8-138.8 -58.5 126.0 9.9 -19.2 40.7 46 51 A P T 3 S+ 0 0 79 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.691 101.5 51.5 -62.2 -19.8 7.5 -19.9 37.8 47 52 A R T 3 S+ 0 0 43 1,-0.2 2,-0.4 2,-0.0 -2,-0.1 0.573 109.4 50.3 -94.7 -13.6 10.5 -20.3 35.5 48 53 A V X - 0 0 22 -3,-1.0 3,-0.6 -6,-0.2 2,-0.4 -0.948 69.2-150.4-133.1 115.5 12.4 -22.9 37.6 49 54 A K T 3 S- 0 0 206 -2,-0.4 -5,-0.1 1,-0.2 -6,-0.0 -0.680 79.9 -8.9 -82.2 131.0 11.0 -26.1 39.1 50 55 A G T 3 S+ 0 0 78 -7,-0.5 -1,-0.2 -2,-0.4 -7,-0.1 0.787 90.1 161.4 57.1 38.8 12.6 -27.3 42.3 51 56 A G < - 0 0 24 -3,-0.6 -1,-0.1 -8,-0.4 -8,-0.0 -0.161 46.5 -69.7 -82.4-179.6 15.5 -24.8 42.4 52 57 A P - 0 0 37 0, 0.0 -1,-0.2 0, 0.0 -10,-0.1 -0.282 55.3-104.9 -67.1 153.9 17.7 -23.8 45.3 53 58 A S > - 0 0 49 -11,-0.1 4,-2.1 1,-0.1 5,-0.1 -0.376 26.7-114.0 -72.4 160.3 16.2 -21.8 48.1 54 59 A L H > S+ 0 0 7 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.883 118.8 54.5 -61.3 -40.3 17.0 -18.1 48.3 55 60 A Q H > S+ 0 0 56 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.886 109.0 50.4 -62.6 -35.0 18.9 -18.6 51.6 56 61 A Q H > S+ 0 0 78 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.924 109.6 49.4 -62.5 -47.8 20.9 -21.2 49.8 57 62 A V H < S+ 0 0 1 -4,-2.1 4,-0.4 1,-0.2 119,-0.3 0.864 110.1 51.5 -62.1 -37.7 21.6 -18.7 47.0 58 63 A M H >X S+ 0 0 4 -4,-2.6 3,-1.2 1,-0.2 4,-0.6 0.860 103.0 59.0 -68.6 -39.0 22.6 -16.1 49.6 59 64 A R H >X S+ 0 0 73 -4,-2.0 3,-1.9 1,-0.2 4,-1.4 0.925 99.0 58.4 -50.5 -49.1 25.0 -18.6 51.2 60 65 A D H 3< S+ 0 0 57 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.661 107.4 48.4 -59.0 -16.9 26.9 -18.9 47.8 61 66 A Q H <4 S+ 0 0 48 -3,-1.2 -1,-0.3 -4,-0.4 4,-0.2 0.559 104.5 60.0 -97.9 -13.8 27.5 -15.2 48.0 62 67 A L H XX S+ 0 0 1 -3,-1.9 3,-1.7 -4,-0.6 4,-0.7 0.854 86.9 71.3 -85.9 -38.4 28.8 -15.2 51.6 63 68 A K H >X S+ 0 0 85 -4,-1.4 4,-1.1 1,-0.3 3,-1.0 0.816 88.9 61.2 -53.4 -42.4 31.8 -17.5 51.2 64 69 A P H 34 S+ 0 0 40 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.780 102.8 54.6 -53.1 -28.9 33.9 -15.0 49.2 65 70 A F H <4 S+ 0 0 9 -3,-1.7 226,-0.3 -4,-0.2 -2,-0.2 0.725 108.3 45.3 -80.0 -23.9 33.8 -12.6 52.2 66 71 A T H << S+ 0 0 41 -3,-1.0 -1,-0.2 -4,-0.7 -3,-0.1 0.587 91.0 106.0 -97.1 -10.6 35.1 -15.1 54.8 67 72 A E S < S- 0 0 107 -4,-1.1 -62,-0.0 1,-0.1 224,-0.0 -0.192 85.4 -77.7 -65.5 155.3 38.0 -16.4 52.7 68 73 A P - 0 0 116 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.156 49.1-123.9 -49.4 146.4 41.6 -15.5 53.3 69 74 A R - 0 0 57 1,-0.1 292,-0.2 -3,-0.1 2,-0.2 -0.253 24.5-104.7 -78.4 175.6 42.7 -12.0 52.2 70 75 A G - 0 0 17 290,-0.5 290,-0.2 174,-0.4 -1,-0.1 -0.469 55.1 -73.8 -85.4 174.2 45.6 -11.4 49.8 71 76 A K - 0 0 146 288,-1.9 -1,-0.1 -2,-0.2 3,-0.1 -0.529 57.6-115.6 -67.2 133.3 48.8 -10.0 51.2 72 77 A P - 0 0 65 0, 0.0 -1,-0.1 0, 0.0 289,-0.1 -0.319 36.9 -89.9 -64.7 156.5 48.4 -6.3 52.0 73 78 A P - 0 0 3 0, 0.0 5,-0.1 0, 0.0 238,-0.0 -0.313 61.9 -74.9 -61.1 152.1 50.4 -3.7 50.1 74 79 A K >> - 0 0 135 1,-0.1 4,-2.2 -3,-0.1 3,-1.5 -0.330 45.0-131.5 -53.8 123.1 53.7 -2.7 51.6 75 80 A P H 3> S+ 0 0 108 0, 0.0 4,-1.6 0, 0.0 -1,-0.1 0.800 105.2 54.9 -49.7 -39.4 52.8 -0.6 54.6 76 81 A S H 3> S+ 0 0 87 1,-0.2 4,-1.5 2,-0.2 -2,-0.1 0.815 113.1 42.9 -61.8 -34.2 55.4 2.1 53.6 77 82 A V H <> S+ 0 0 18 -3,-1.5 4,-2.9 2,-0.2 -1,-0.2 0.813 106.4 56.5 -90.5 -31.9 53.8 2.4 50.2 78 83 A L H X S+ 0 0 26 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.906 112.0 48.5 -60.8 -38.5 50.1 2.3 51.2 79 84 A E H X S+ 0 0 75 -4,-1.6 4,-2.3 -5,-0.3 -2,-0.2 0.916 110.2 49.7 -62.1 -48.1 51.1 5.3 53.3 80 85 A A H X S+ 0 0 35 -4,-1.5 4,-1.8 1,-0.2 -2,-0.2 0.906 111.8 49.3 -59.0 -42.6 52.9 6.9 50.3 81 86 A A H X S+ 0 0 0 -4,-2.9 4,-2.2 2,-0.2 -2,-0.2 0.923 110.2 49.9 -63.4 -46.8 49.8 6.4 48.2 82 87 A K H X S+ 0 0 23 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.910 109.9 50.5 -58.5 -45.6 47.4 7.9 50.8 83 88 A K H X S+ 0 0 133 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.863 109.1 52.5 -63.5 -37.7 49.6 11.0 51.2 84 89 A T H X S+ 0 0 4 -4,-1.8 4,-2.6 -5,-0.2 -1,-0.2 0.930 109.2 48.8 -59.6 -46.9 49.6 11.4 47.4 85 90 A I H X S+ 0 0 0 -4,-2.2 4,-3.2 1,-0.2 -2,-0.2 0.942 110.9 50.1 -61.4 -46.5 45.8 11.2 47.3 86 91 A I H X S+ 0 0 18 -4,-2.7 4,-3.9 1,-0.2 -1,-0.2 0.924 109.0 53.5 -55.8 -47.7 45.6 13.8 50.1 87 92 A N H X S+ 0 0 85 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.941 111.3 44.4 -49.2 -56.4 48.0 16.0 48.1 88 93 A V H < S+ 0 0 32 -4,-2.6 3,-0.5 2,-0.2 4,-0.5 0.943 115.6 47.6 -57.8 -50.6 45.8 15.8 45.0 89 94 A L H >X S+ 0 0 2 -4,-3.2 4,-2.3 1,-0.2 3,-1.9 0.932 109.4 53.7 -56.5 -48.3 42.6 16.4 47.1 90 95 A E H 3< S+ 0 0 106 -4,-3.9 -1,-0.2 1,-0.3 -2,-0.2 0.815 109.4 50.2 -52.4 -34.1 44.4 19.3 48.9 91 96 A Q T 3< S+ 0 0 156 -4,-1.8 -1,-0.3 -3,-0.5 -2,-0.2 0.524 123.6 26.6 -81.6 -5.6 45.1 20.8 45.4 92 97 A T T <4 S+ 0 0 30 -3,-1.9 -2,-0.2 -4,-0.5 2,-0.2 0.775 100.4 66.6-127.4 -51.0 41.5 20.5 44.2 93 98 A I < - 0 0 19 -4,-2.3 -1,-0.1 -5,-0.1 108,-0.1 -0.504 60.0-137.4 -93.2 152.8 38.6 20.5 46.7 94 99 A D - 0 0 99 -2,-0.2 -1,-0.1 106,-0.2 -2,-0.0 -0.559 45.8 -76.3 -94.7 167.1 37.3 23.2 48.9 95 100 A P - 0 0 112 0, 0.0 -1,-0.1 0, 0.0 166,-0.1 -0.427 58.3-113.7 -62.0 138.6 36.2 22.6 52.6 96 101 A P - 0 0 22 0, 0.0 2,-0.2 0, 0.0 101,-0.2 -0.253 20.9-110.7 -68.5 158.2 32.8 20.9 52.7 97 102 A D - 0 0 127 99,-0.3 165,-0.3 98,-0.1 2,-0.2 -0.591 38.5-108.8 -76.0 150.3 29.5 22.3 54.1 98 103 A K - 0 0 146 -2,-0.2 2,-0.5 164,-0.1 95,-0.1 -0.567 27.6-137.5 -75.7 145.5 28.3 20.7 57.3 99 104 A W - 0 0 34 93,-0.6 2,-0.1 -2,-0.2 96,-0.1 -0.951 17.8-147.1-107.6 128.3 25.2 18.5 57.0 100 105 A S > - 0 0 40 -2,-0.5 4,-3.6 1,-0.1 5,-0.2 -0.420 28.9-104.4 -86.8 165.1 22.4 18.8 59.6 101 106 A F H > S+ 0 0 64 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.903 125.9 49.2 -51.1 -46.2 20.0 16.2 61.1 102 107 A A H > S+ 0 0 65 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.882 114.1 45.1 -61.0 -41.5 17.3 17.8 59.0 103 108 A Q H > S+ 0 0 104 2,-0.2 4,-0.7 1,-0.2 -2,-0.2 0.878 113.7 49.0 -72.5 -38.4 19.5 17.7 55.9 104 109 A A H < S+ 0 0 0 -4,-3.6 4,-0.5 2,-0.2 3,-0.5 0.886 111.6 50.0 -67.2 -40.6 20.6 14.1 56.6 105 110 A C H >< S+ 0 0 4 -4,-2.7 3,-1.6 -5,-0.2 -2,-0.2 0.979 111.0 48.8 -58.3 -56.4 17.0 13.0 57.1 106 111 A A H 3< S+ 0 0 65 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.586 103.8 62.5 -63.8 -12.2 15.9 14.6 53.8 107 112 A S T 3< S+ 0 0 55 -4,-0.7 -1,-0.3 -3,-0.5 -2,-0.2 0.613 80.3 99.8 -91.2 -14.1 18.8 13.0 51.9 108 113 A L S < S- 0 0 18 -3,-1.6 2,-0.5 -4,-0.5 3,-0.0 -0.488 82.3-108.7 -79.6 144.2 17.8 9.3 52.4 109 114 A D - 0 0 86 -2,-0.2 3,-0.4 1,-0.2 13,-0.2 -0.592 29.2-165.6 -67.9 118.5 16.0 7.3 49.8 110 115 A K S S+ 0 0 32 -2,-0.5 13,-2.5 1,-0.2 14,-0.3 0.666 79.0 68.7 -85.0 -17.1 12.5 6.9 51.2 111 116 A T S S+ 0 0 104 11,-0.2 -1,-0.2 10,-0.1 13,-0.1 0.795 92.9 73.3 -70.1 -26.2 11.5 4.1 48.8 112 117 A T S S- 0 0 55 -3,-0.4 10,-2.3 1,-0.1 11,-0.3 -0.217 93.0 -82.5 -86.7 174.7 14.0 1.6 50.4 113 118 A S B -I 121 0E 56 8,-0.2 8,-0.2 1,-0.1 -1,-0.1 -0.462 19.0-136.4 -82.1 149.0 13.9 -0.2 53.8 114 119 A S - 0 0 0 6,-2.9 70,-2.5 1,-0.2 71,-0.2 0.500 44.3-155.6 -74.9 -7.7 15.0 1.3 57.1 115 120 A G >> + 0 0 3 68,-0.2 4,-2.6 5,-0.2 3,-0.5 -0.118 44.9 47.5 60.3-158.7 16.8 -2.0 57.8 116 121 A H T 34 S+ 0 0 58 39,-0.5 69,-0.4 1,-0.3 68,-0.4 -0.263 112.5 1.5 -57.1 137.3 17.5 -3.3 61.4 117 122 A P T 34 S+ 0 0 59 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 -0.997 134.2 27.8-104.0 -1.0 15.7 -3.3 63.5 118 123 A H T <4 S- 0 0 53 -3,-0.5 -2,-0.2 -4,-0.2 -3,-0.1 0.730 73.6-154.0 -92.6 -23.6 12.2 -2.1 62.5 119 124 A H < + 0 0 40 -4,-2.6 2,-0.3 1,-0.2 -3,-0.1 0.856 36.3 153.0 52.4 47.8 12.4 -3.0 58.8 120 125 A M - 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0 0 54 -2,-0.4 4,-2.2 1,-0.1 3,-0.7 -0.111 27.3-123.7 -54.6 145.7 94.0 14.7 17.6 828 329 B P H 3> S+ 0 0 10 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.787 116.5 63.8 -63.8 -26.1 90.8 14.8 15.6 829 330 B D H 3> S+ 0 0 90 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.929 107.4 41.8 -50.7 -49.4 91.1 18.6 16.0 830 331 B I H <> S+ 0 0 72 -3,-0.7 4,-0.9 2,-0.2 -1,-0.2 0.866 112.7 53.0 -71.2 -39.4 94.3 18.2 14.0 831 332 B I H >< S+ 0 0 0 -4,-2.2 3,-1.8 1,-0.2 -2,-0.2 0.986 111.3 45.8 -56.4 -61.2 92.8 15.8 11.5 832 333 B Q H >< S+ 0 0 33 -4,-2.8 3,-1.0 1,-0.3 -1,-0.2 0.825 110.2 56.3 -49.1 -38.1 89.9 18.1 10.8 833 334 B A H 3< S+ 0 0 73 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.692 114.2 38.4 -69.3 -20.5 92.4 21.0 10.5 834 335 B N T << S+ 0 0 66 -3,-1.8 15,-2.5 -4,-0.9 16,-0.7 -0.024 113.7 53.6-123.1 28.1 94.4 19.2 7.8 835 336 B S E < - E 0 848P 3 -3,-1.0 2,-0.3 13,-0.2 13,-0.3 -0.893 59.0-143.7-148.9 179.4 91.7 17.6 5.7 836 337 B L E - E 0 847P 30 11,-2.9 11,-2.0 -2,-0.3 2,-0.3 -0.886 17.7-161.6-155.5 119.6 88.5 18.2 3.8 837 338 B F E - 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0 0 78 -5,-1.8 -2,-0.2 2,-0.0 -1,-0.2 -0.926 55.2-144.1-118.5 117.1 56.9 14.2 -31.9 971 472 B D - 0 0 147 -2,-0.5 2,-0.3 -3,-0.1 -5,-0.0 -0.201 20.4-155.9 -68.2 164.8 59.6 16.2 -33.7 972 473 B F - 0 0 50 2,-0.0 2,-1.0 -10,-0.0 -1,-0.0 -0.998 23.4-124.1-151.9 142.9 62.4 17.9 -31.7 973 474 B Y - 0 0 144 -2,-0.3 -2,-0.0 22,-0.0 20,-0.0 -0.759 36.1-169.5 -85.1 99.2 64.9 20.7 -31.8 974 475 B V - 0 0 46 -2,-1.0 2,-0.0 -16,-0.0 -2,-0.0 -0.829 5.1-153.2 -98.5 118.9 68.3 18.9 -31.2 975 476 B P - 0 0 15 0, 0.0 2,-0.1 0, 0.0 17,-0.1 -0.255 16.7-112.0 -81.5 173.1 71.4 21.1 -30.6 976 477 B R > - 0 0 171 1,-0.1 4,-1.6 -2,-0.0 5,-0.2 -0.425 28.3-100.3-101.4 178.5 75.0 20.2 -31.2 977 478 B Q H > S+ 0 0 36 2,-0.2 4,-3.5 1,-0.2 5,-0.3 0.971 113.0 50.8 -66.1 -60.9 78.0 19.6 -28.9 978 479 B E H > S+ 0 0 164 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.793 115.8 44.3 -53.2 -36.9 80.0 22.9 -28.9 979 480 B P H > S+ 0 0 12 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.874 116.9 45.0 -70.5 -39.9 76.8 24.9 -28.2 980 481 B M H X S+ 0 0 0 -4,-1.6 4,-3.0 -3,-0.2 -2,-0.2 0.871 111.2 53.1 -74.7 -38.5 75.5 22.5 -25.5 981 482 B F H X S+ 0 0 55 -4,-3.5 4,-3.2 2,-0.2 5,-0.4 0.968 108.8 49.8 -54.6 -55.4 79.0 22.2 -23.8 982 483 B R H X S+ 0 0 113 -4,-1.4 6,-2.0 -5,-0.3 4,-1.8 0.864 115.0 44.1 -55.7 -40.3 79.2 26.0 -23.6 983 484 B W H X S+ 0 0 44 -4,-1.7 4,-1.3 4,-0.3 -1,-0.3 0.929 117.5 46.4 -64.2 -44.5 75.8 26.1 -22.0 984 485 B M H < S+ 0 0 14 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.761 124.8 28.1 -76.1 -26.9 76.6 23.2 -19.8 985 486 B R H < S+ 0 0 39 -4,-3.2 -3,-0.2 -5,-0.1 -1,-0.2 0.826 138.6 17.8 -98.7 -41.3 80.0 24.4 -18.6 986 487 B F H < S- 0 0 88 -4,-1.8 -3,-0.2 -5,-0.4 -2,-0.2 0.392 92.6-119.9-116.6 -1.8 79.8 28.2 -18.8 987 488 B S < + 0 0 91 -4,-1.3 2,-0.5 -5,-0.4 -4,-0.3 0.772 62.9 152.0 60.8 29.9 76.0 28.9 -18.9 988 489 B D + 0 0 37 -6,-2.0 -1,-0.2 -7,-0.1 3,-0.2 -0.797 28.7 175.6 -98.8 127.9 76.6 30.6 -22.3 989 490 B L > + 0 0 42 -2,-0.5 3,-1.2 1,-0.1 -1,-0.1 0.154 46.8 111.9-115.9 17.3 73.9 30.7 -25.0 990 491 B S T 3 S+ 0 0 94 1,-0.3 -1,-0.1 -11,-0.0 -2,-0.0 0.765 88.4 34.4 -62.9 -31.7 75.6 32.8 -27.6 991 492 B T T 3 S+ 0 0 76 -3,-0.2 2,-0.6 -12,-0.2 -1,-0.3 0.204 89.6 127.6-107.0 13.8 76.0 29.9 -30.1 992 493 B W < - 0 0 19 -3,-1.2 2,-0.4 -13,-0.1 -3,-0.1 -0.616 52.3-141.9 -81.0 114.6 72.7 28.3 -29.1 993 494 B E - 0 0 135 -2,-0.6 2,-0.1 2,-0.1 -2,-0.1 -0.602 58.5 -15.2 -77.4 127.5 70.3 27.6 -32.1 994 495 B G S S+ 0 0 37 -2,-0.4 2,-0.1 3,-0.0 -2,-0.0 -0.382 112.5 21.8 88.8-159.8 66.6 28.1 -31.5 995 496 B D > - 0 0 77 1,-0.2 3,-1.0 -2,-0.1 4,-0.2 -0.220 55.2-156.8 -48.8 115.2 64.5 28.5 -28.4 996 497 B R G > S+ 0 0 181 1,-0.2 3,-1.0 2,-0.2 -1,-0.2 0.737 90.6 65.4 -66.2 -24.4 66.7 29.7 -25.5 997 498 B N G 3 S+ 0 0 143 1,-0.2 -1,-0.2 3,-0.0 -2,-0.1 0.709 86.7 68.7 -71.4 -22.5 64.2 28.2 -23.1 998 499 B L G < S+ 0 0 69 -3,-1.0 -1,-0.2 2,-0.1 -2,-0.2 0.642 71.5 112.8 -73.3 -13.2 64.8 24.7 -24.2 999 500 B A S < S- 0 0 13 -3,-1.0 2,-0.1 -4,-0.2 -58,-0.1 -0.445 79.4-107.2 -62.4 125.8 68.3 24.8 -22.7 1000 501 B P - 0 0 9 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.317 31.6-160.9 -71.9 133.2 68.3 22.4 -19.8 1001 502 B S - 0 0 108 -2,-0.1 2,-0.4 -3,-0.1 -60,-0.1 -0.638 11.1-138.2-101.8 166.6 68.2 23.5 -16.1 1002 503 B F - 0 0 42 -2,-0.2 -281,-0.1 -61,-0.0 2,-0.0 -0.933 7.5-148.1-141.5 114.3 69.2 21.3 -13.2 1003 504 B V - 0 0 133 -2,-0.4 3,-0.1 1,-0.1 0, 0.0 -0.201 26.0 -98.6 -78.7 166.9 67.6 20.8 -9.7 1004 505 B N S S+ 0 0 85 1,-0.1 -285,-0.1 -285,-0.1 -1,-0.1 0.318 87.6 59.1 -72.3-165.8 69.2 20.1 -6.3 1005 506 B E 0 0 83 -287,-0.6 -1,-0.1 1,-0.1 -286,-0.1 0.813 360.0 360.0 48.9 45.1 69.8 17.0 -4.1 1006 507 B D 0 0 60 -288,-0.8 -1,-0.1 -3,-0.1 -287,-0.1 0.780 360.0 360.0 -51.8 360.0 71.7 15.3 -6.9