==== 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 OXIDOREDUCTASE 23-SEP-05 2B4G . COMPND 2 MOLECULE: DIHYDROOROTATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TRYPANOSOMA BRUCEI; . AUTHOR T.L.ARAKAKI,E.A.MERRITT,STRUCTURAL GENOMICS OF PATHOGENIC PR . 1250 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 42595.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 843 67.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 153 12.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 94 7.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 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 . 8 0.6 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 . 47 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 111 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 370 29.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 26 2.1 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 0 0 4 0 0 5 7 1 3 0 4 5 3 0 4 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 11 13 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 PARALLEL BRIDGES PER LADDER . 4 4 10 6 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 ANTIPARALLEL BRIDGES PER LADDER . 4 4 4 0 0 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 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 2 A S 0 0 71 0, 0.0 300,-0.4 0, 0.0 12,-0.1 0.000 360.0 360.0 360.0 -67.8 30.0 25.7 -5.2 2 3 A L + 0 0 12 10,-0.3 298,-0.1 298,-0.1 9,-0.0 0.448 360.0 131.0 -87.2 -1.6 30.9 26.7 -1.6 3 4 A K - 0 0 95 10,-0.1 298,-0.4 11,-0.1 2,-0.4 -0.067 41.0-162.3 -62.2 150.9 28.2 24.4 -0.3 4 5 A V E -A 11 0A 13 7,-2.0 7,-3.4 9,-0.2 2,-0.5 -0.997 5.0-167.9-132.4 129.4 28.7 21.8 2.4 5 6 A N E +A 10 0A 100 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.841 37.6 124.2-121.9 92.1 26.4 18.8 3.0 6 7 A I E > +A 9 0A 24 3,-1.0 3,-2.1 -2,-0.5 -2,-0.1 -0.915 56.0 24.2-141.7 161.2 27.1 17.2 6.4 7 8 A L T 3 S- 0 0 46 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.658 127.5 -59.1 57.0 24.5 25.4 16.3 9.7 8 9 A G T 3 S+ 0 0 83 1,-0.3 2,-0.3 -3,-0.0 -1,-0.3 0.653 118.0 100.6 80.9 18.1 21.9 16.1 8.0 9 10 A H E < -A 6 0A 51 -3,-2.1 -3,-1.0 84,-0.0 2,-0.5 -0.930 65.7-136.9-136.0 149.3 22.2 19.8 6.9 10 11 A E E -A 5 0A 108 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.965 21.4-163.3-104.9 127.0 23.0 21.8 3.9 11 12 A F E -A 4 0A 0 -7,-3.4 -7,-2.0 -2,-0.5 28,-0.1 -0.881 19.0-142.1-107.5 140.2 25.3 24.8 4.4 12 13 A S S S- 0 0 89 -2,-0.4 -10,-0.3 26,-0.4 -1,-0.1 0.755 85.4 -8.6 -69.2 -27.4 25.5 27.6 1.9 13 14 A N S S- 0 0 4 2,-0.2 -9,-0.2 -9,-0.1 -1,-0.2 -0.943 75.1-104.2-162.8 167.1 29.3 28.0 2.5 14 15 A P S S+ 0 0 0 0, 0.0 254,-2.5 0, 0.0 2,-0.2 0.589 80.0 108.3 -82.3 -5.2 31.8 26.6 5.0 15 16 A F E +b 268 0B 0 252,-0.2 24,-2.0 21,-0.1 23,-1.6 -0.434 31.7 146.3 -85.2 141.8 32.1 29.8 7.2 16 17 A M E -b 269 0B 0 252,-1.6 254,-2.1 22,-0.2 24,-0.2 -0.960 48.9 -87.0-151.2 166.2 30.9 30.4 10.7 17 18 A N E -b 270 0B 0 22,-0.4 2,-0.3 -2,-0.3 254,-0.2 -0.391 44.2-111.8 -64.2 155.4 31.9 32.3 13.8 18 19 A A > - 0 0 6 252,-1.8 3,-2.0 251,-0.1 23,-0.1 -0.664 49.8 -85.0 -80.4 146.1 34.2 30.7 16.3 19 20 A A T 3 S+ 0 0 19 -2,-0.3 24,-0.2 1,-0.2 -1,-0.1 -0.266 116.8 24.8 -52.5 137.9 32.5 29.9 19.6 20 21 A G T 3 S+ 0 0 29 21,-0.2 2,-0.5 1,-0.2 3,-0.3 0.160 97.3 103.4 90.2 -17.9 32.6 33.0 21.9 21 22 A V S < S- 0 0 26 -3,-2.0 20,-0.2 1,-0.2 -1,-0.2 -0.894 100.8 -19.7-101.3 124.7 33.0 35.6 19.1 22 23 A L S S+ 0 0 33 -2,-0.5 -1,-0.2 1,-0.1 10,-0.2 0.879 115.3 93.0 48.0 54.2 29.8 37.6 18.2 23 24 A C + 0 0 0 -3,-0.3 20,-2.4 8,-0.1 -3,-0.1 0.146 47.3 92.2-162.5 29.6 27.4 35.1 19.8 24 25 A T S S+ 0 0 25 18,-0.2 50,-0.4 -4,-0.1 2,-0.2 0.835 83.7 41.9 -98.8 -43.4 26.6 36.0 23.4 25 26 A T S > S- 0 0 19 1,-0.1 4,-2.4 48,-0.1 5,-0.2 -0.581 86.5-109.2-103.0 166.1 23.5 38.1 23.1 26 27 A E H > S+ 0 0 47 1,-0.2 4,-2.4 -2,-0.2 5,-0.1 0.894 121.8 52.7 -58.1 -41.7 20.4 37.8 21.0 27 28 A E H > S+ 0 0 48 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.873 107.7 51.7 -63.5 -38.7 21.6 40.8 19.0 28 29 A D H > S+ 0 0 28 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.966 112.8 44.5 -57.7 -55.4 24.9 39.1 18.4 29 30 A L H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.827 111.1 54.4 -62.1 -35.9 23.2 36.0 17.1 30 31 A R H X S+ 0 0 115 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.918 109.7 47.5 -58.7 -47.4 20.8 38.1 15.0 31 32 A R H X S+ 0 0 89 -4,-2.3 4,-1.3 2,-0.2 -2,-0.2 0.878 112.0 49.6 -65.6 -39.5 23.8 39.8 13.3 32 33 A M H < S+ 0 0 0 -4,-2.3 5,-0.3 -10,-0.2 -1,-0.2 0.907 112.7 47.9 -62.3 -41.1 25.5 36.4 12.7 33 34 A T H < S+ 0 0 11 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.898 112.0 49.1 -68.5 -41.0 22.2 35.1 11.2 34 35 A E H < S+ 0 0 111 -4,-2.8 -1,-0.2 -5,-0.1 -2,-0.2 0.737 98.9 92.4 -64.9 -26.3 21.9 38.2 9.0 35 36 A S S < S- 0 0 11 -4,-1.3 245,-0.1 -5,-0.2 -3,-0.1 -0.053 93.0-107.3 -63.8 172.1 25.5 37.8 7.9 36 37 A E S S+ 0 0 105 243,-0.5 -21,-0.1 -24,-0.0 -1,-0.1 0.442 76.2 129.7 -80.3 1.4 26.7 35.9 4.8 37 38 A S - 0 0 4 -5,-0.3 -21,-0.2 242,-0.2 -25,-0.1 -0.125 63.3-134.0 -57.3 148.4 28.1 33.1 7.0 38 39 A G S S- 0 0 1 -23,-1.6 -26,-0.4 -27,-0.1 2,-0.2 0.829 83.6 -13.1 -70.7 -33.6 27.1 29.5 6.3 39 40 A S - 0 0 0 -24,-2.0 -22,-0.4 53,-0.1 2,-0.3 -0.813 60.9-143.9-147.9-168.6 26.4 28.9 10.0 40 41 A L E -c 94 0B 0 53,-0.7 55,-2.5 -2,-0.2 2,-0.4 -0.967 6.6-149.8-161.4 157.3 26.8 30.2 13.5 41 42 A I E -c 95 0B 0 -2,-0.3 55,-0.2 -20,-0.2 -21,-0.2 -0.992 20.5-117.5-136.5 141.5 27.4 28.9 16.9 42 43 A G E -c 96 0B 0 53,-1.6 55,-0.6 -2,-0.4 -18,-0.2 -0.324 41.9 -85.3 -74.2 158.7 26.4 30.2 20.4 43 44 A K E - 0 0 17 -20,-2.4 2,-0.3 -24,-0.2 54,-0.2 -0.309 56.4 -90.9 -54.7 138.3 28.7 31.3 23.1 44 45 A S E - 0 0 4 54,-0.1 54,-0.2 52,-0.1 2,-0.2 -0.447 60.2-158.9 -52.8 118.2 30.0 28.5 25.3 45 46 A C E -c 98 0B 0 52,-1.4 54,-2.7 -2,-0.3 2,-0.3 -0.621 18.1-153.1-110.9 163.2 27.3 28.5 28.0 46 47 A T - 0 0 4 2,-0.2 30,-2.2 -2,-0.2 54,-0.1 -0.772 37.7-101.6-126.8 168.9 27.0 27.3 31.6 47 48 A L S S+ 0 0 67 -2,-0.3 30,-0.5 28,-0.2 29,-0.1 0.929 109.0 35.7 -64.8 -45.4 23.9 26.3 33.5 48 49 A A S S- 0 0 55 27,-0.2 27,-0.3 28,-0.1 -2,-0.2 -0.751 105.3 -88.2 -98.9 151.1 23.6 29.6 35.3 49 50 A P - 0 0 97 0, 0.0 2,-0.4 0, 0.0 25,-0.2 -0.271 43.9-150.5 -50.3 143.6 24.6 33.0 33.9 50 51 A R B -I 73 0C 71 23,-2.1 23,-1.4 21,-0.1 25,-0.1 -0.988 19.0-158.8-124.8 135.6 28.3 33.9 34.4 51 52 A T - 0 0 114 -2,-0.4 2,-0.1 1,-0.2 -1,-0.1 0.797 41.0-151.1 -78.8 -28.9 29.8 37.4 34.7 52 53 A G - 0 0 17 18,-0.2 18,-0.3 19,-0.2 -1,-0.2 -0.478 33.1 -29.9 89.8-164.8 33.2 36.1 33.6 53 54 A N S S- 0 0 23 16,-3.1 4,-0.1 15,-0.2 15,-0.0 -0.402 73.8 -86.2 -87.7 162.7 36.7 37.3 34.6 54 55 A P - 0 0 67 0, 0.0 158,-0.3 0, 0.0 -1,-0.1 -0.275 63.9 -62.4 -68.7 161.5 37.6 41.0 35.4 55 56 A E S S+ 0 0 42 157,-0.1 2,-0.1 156,-0.1 156,-0.1 -0.627 109.0 46.4 -98.4 151.0 38.5 43.5 32.7 56 57 A P + 0 0 14 0, 0.0 156,-3.2 0, 0.0 3,-0.1 0.479 69.5 143.9 -75.3 142.1 40.5 44.1 30.6 57 58 A R + 0 0 24 1,-0.2 11,-3.0 154,-0.2 2,-0.4 0.350 59.2 53.9-130.8 -2.8 40.1 40.5 29.5 58 59 A Y E +J 67 0D 52 9,-0.2 2,-0.4 152,-0.1 -1,-0.2 -0.999 59.8 179.7-125.6 137.1 40.4 40.9 25.7 59 60 A F E -J 66 0D 86 7,-2.4 7,-2.0 -2,-0.4 2,-0.3 -0.955 18.8-142.8-137.4 121.2 43.3 42.5 24.1 60 61 A G E -J 65 0D 38 -2,-0.4 5,-0.2 5,-0.2 -2,-0.0 -0.600 23.0-168.1 -82.6 144.5 43.6 42.9 20.3 61 62 A L E > -J 64 0D 26 3,-2.6 3,-1.1 -2,-0.3 -2,-0.0 -0.883 36.2-110.6-136.0 151.0 47.1 42.5 18.8 62 63 A P T 3 S+ 0 0 118 0, 0.0 161,-0.1 0, 0.0 -1,-0.1 0.903 121.9 33.4 -51.1 -39.3 48.8 43.2 15.5 63 64 A L T 3 S- 0 0 36 159,-0.1 161,-1.3 474,-0.1 160,-0.7 0.267 133.2 -65.4-104.5 9.5 49.2 39.4 15.0 64 65 A G E < -JK 61 222D 0 -3,-1.1 -3,-2.6 158,-0.2 2,-0.3 -0.928 67.1 -50.8 158.7-122.5 46.0 38.3 16.7 65 66 A S E -JK 60 221D 4 156,-2.0 156,-2.0 -2,-0.3 2,-0.4 -0.992 19.7-155.7-152.8 151.4 44.4 38.3 20.1 66 67 A I E +JK 59 220D 0 -7,-2.0 -7,-2.4 -2,-0.3 2,-0.3 -0.996 27.3 174.9-126.0 136.3 44.8 37.3 23.7 67 68 A N E +JK 58 219D 32 152,-1.8 152,-2.6 -2,-0.4 -9,-0.2 -1.000 32.3 174.0-144.2 144.5 41.8 36.6 25.9 68 69 A S + 0 0 0 -11,-3.0 -15,-0.2 -2,-0.3 -10,-0.1 -0.434 25.7 154.3-136.3 61.9 40.7 35.4 29.3 69 70 A M - 0 0 45 -17,-0.1 -16,-3.1 -12,-0.1 -11,-0.1 0.898 42.7-141.5 -60.2 -44.3 37.0 36.0 29.1 70 71 A G - 0 0 1 -18,-0.3 -18,-0.2 1,-0.1 -1,-0.1 0.798 57.3 -67.7 84.1 32.5 36.1 33.4 31.7 71 72 A L - 0 0 6 1,-0.2 2,-0.4 -19,-0.1 -19,-0.2 0.882 65.8-172.4 55.4 48.8 33.0 32.1 29.9 72 73 A P + 0 0 17 0, 0.0 2,-0.3 0, 0.0 -21,-0.2 -0.596 24.5 146.8 -68.1 126.2 30.7 35.2 30.3 73 74 A N B -I 50 0C 4 -23,-1.4 -23,-2.1 -2,-0.4 3,-0.1 -0.989 60.8-111.7-161.4 161.4 27.3 34.1 29.1 74 75 A L S S- 0 0 32 -50,-0.4 4,-0.2 -2,-0.3 3,-0.1 0.425 70.7 -96.8 -81.3 0.8 23.5 34.5 29.6 75 76 A G >> - 0 0 2 -27,-0.3 3,-1.6 1,-0.1 4,-1.1 0.177 37.5 -81.1 94.2 147.6 23.0 31.0 30.9 76 77 A V H 3> S+ 0 0 0 -30,-2.2 4,-2.5 1,-0.3 5,-0.2 0.802 122.3 65.4 -55.5 -37.0 21.9 27.8 29.1 77 78 A D H 3> S+ 0 0 112 -30,-0.5 4,-2.3 1,-0.2 -1,-0.3 0.846 101.5 50.7 -53.1 -39.9 18.1 28.7 29.3 78 79 A F H <> S+ 0 0 12 -3,-1.6 4,-2.9 -4,-0.2 -1,-0.2 0.950 112.0 44.7 -65.3 -48.9 18.8 31.7 27.0 79 80 A Y H X S+ 0 0 0 -4,-1.1 4,-1.9 2,-0.2 -2,-0.2 0.843 114.4 50.3 -66.2 -34.1 20.7 29.7 24.3 80 81 A L H X S+ 0 0 14 -4,-2.5 4,-2.3 2,-0.2 5,-0.2 0.930 112.4 46.2 -68.2 -47.2 18.1 26.9 24.4 81 82 A S H X>S+ 0 0 43 -4,-2.3 4,-2.7 -5,-0.2 5,-0.9 0.919 111.1 52.9 -59.5 -43.9 15.2 29.4 24.0 82 83 A Y H X>S+ 0 0 7 -4,-2.9 5,-3.1 1,-0.2 4,-0.8 0.919 113.4 44.6 -55.3 -44.4 17.1 31.1 21.2 83 84 A A H <5S+ 0 0 0 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.817 121.3 37.1 -72.0 -36.1 17.5 27.7 19.5 84 85 A A H <5S+ 0 0 33 -4,-2.3 -2,-0.2 -5,-0.1 -1,-0.2 0.774 134.6 13.6 -85.4 -29.7 13.9 26.6 20.0 85 86 A Q H <5S+ 0 0 158 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.1 0.736 126.0 33.0-123.6 -35.6 12.0 29.9 19.5 86 87 A T T <> - 0 0 76 1,-0.2 4,-1.3 5,-0.1 3,-1.1 -0.744 21.2-176.9 -88.6 101.2 15.6 31.5 11.7 89 90 A Y T 34 S+ 0 0 62 -2,-1.0 -1,-0.2 1,-0.3 -2,-0.1 0.643 80.1 67.9 -76.2 -14.4 16.5 28.0 10.4 90 91 A S T 34 S+ 0 0 106 1,-0.1 -1,-0.3 -3,-0.1 -2,-0.1 0.766 101.9 49.1 -67.9 -27.5 15.5 29.1 6.9 91 92 A R T <4 S- 0 0 110 -3,-1.1 -2,-0.2 1,-0.3 -1,-0.1 0.930 130.1 -42.2 -76.2 -49.9 18.5 31.4 7.0 92 93 A K < - 0 0 9 -4,-1.3 -1,-0.3 -81,-0.1 -53,-0.1 -0.955 64.4 -80.8-172.3 159.9 21.1 28.8 8.2 93 94 A P - 0 0 15 0, 0.0 -53,-0.7 0, 0.0 2,-0.4 -0.325 43.3-134.6 -68.9 157.4 21.7 26.0 10.6 94 95 A L E -c 40 0B 1 -55,-0.2 29,-2.4 27,-0.1 2,-0.3 -0.950 14.9-167.1-122.7 133.5 22.6 26.7 14.2 95 96 A F E -cd 41 123B 0 -55,-2.5 -53,-1.6 -2,-0.4 2,-0.4 -0.846 7.8-156.1-104.4 149.0 25.2 25.2 16.6 96 97 A L E -cd 42 124B 1 27,-2.7 29,-2.3 -2,-0.3 2,-0.5 -0.997 8.5-146.1-119.9 131.8 25.3 25.7 20.4 97 98 A S E - d 0 125B 1 -55,-0.6 -52,-1.4 -2,-0.4 2,-0.4 -0.858 13.7-162.5 -91.5 131.9 28.5 25.4 22.3 98 99 A M E +cd 45 126B 0 27,-1.8 29,-2.7 -2,-0.5 -52,-0.1 -0.962 12.5 177.8-118.0 132.4 28.2 24.0 25.8 99 100 A S - 0 0 4 -54,-2.7 -52,-0.1 -2,-0.4 27,-0.1 -0.463 4.6-179.7-136.3 63.0 30.9 24.4 28.5 100 101 A G - 0 0 7 1,-0.1 -54,-0.1 -54,-0.1 -2,-0.0 -0.323 28.1-139.2 -56.3 141.9 29.9 22.9 31.8 101 102 A L S S+ 0 0 35 2,-0.0 2,-0.3 5,-0.0 -1,-0.1 0.502 89.2 29.5 -87.7 -4.7 32.7 23.3 34.4 102 103 A S S > S- 0 0 40 1,-0.1 4,-2.1 34,-0.0 5,-0.2 -0.935 87.8-112.5-136.7 163.3 32.0 19.8 35.6 103 104 A V H > S+ 0 0 25 -2,-0.3 4,-3.0 2,-0.2 5,-0.2 0.890 118.4 57.5 -56.3 -41.2 30.7 16.6 33.9 104 105 A E H > S+ 0 0 129 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.891 107.7 45.7 -61.4 -41.3 27.5 16.9 36.0 105 106 A E H > S+ 0 0 36 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.929 113.3 49.5 -65.9 -44.7 26.8 20.4 34.7 106 107 A S H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.896 110.9 50.3 -62.9 -38.5 27.5 19.3 31.1 107 108 A V H X S+ 0 0 21 -4,-3.0 4,-1.8 2,-0.2 -1,-0.2 0.938 110.4 49.6 -63.7 -46.2 25.2 16.3 31.5 108 109 A E H X S+ 0 0 108 -4,-2.2 4,-1.2 -5,-0.2 -2,-0.2 0.913 113.6 46.9 -58.2 -44.6 22.4 18.5 32.9 109 110 A M H X S+ 0 0 0 -4,-2.5 4,-1.3 1,-0.2 3,-0.3 0.923 110.2 49.2 -65.5 -48.1 22.8 21.0 30.0 110 111 A V H X S+ 0 0 0 -4,-2.6 4,-1.2 1,-0.2 -1,-0.2 0.812 104.9 60.6 -66.3 -28.8 22.9 18.4 27.1 111 112 A K H < S+ 0 0 123 -4,-1.8 3,-0.4 1,-0.2 -1,-0.2 0.905 103.7 50.0 -62.3 -42.0 19.8 16.7 28.5 112 113 A K H < S+ 0 0 92 -4,-1.2 4,-0.5 -3,-0.3 -1,-0.2 0.838 108.0 55.3 -62.2 -34.7 17.8 20.0 28.1 113 114 A L H >X S+ 0 0 0 -4,-1.3 4,-2.4 1,-0.2 3,-0.7 0.769 85.9 83.6 -70.4 -29.2 19.1 20.2 24.5 114 115 A V H 3X S+ 0 0 25 -4,-1.2 4,-2.5 -3,-0.4 3,-0.2 0.893 91.8 43.1 -46.9 -59.4 17.8 16.8 23.4 115 116 A P H 3> S+ 0 0 81 0, 0.0 4,-1.9 0, 0.0 -1,-0.3 0.818 114.6 52.2 -60.1 -28.5 14.2 17.8 22.5 116 117 A I H <>>S+ 0 0 25 -3,-0.7 4,-2.8 -4,-0.5 6,-0.7 0.872 109.0 48.6 -78.3 -37.4 15.3 20.9 20.8 117 118 A T H X5S+ 0 0 24 -4,-2.4 4,-1.6 4,-0.2 -1,-0.2 0.920 112.7 49.6 -62.1 -45.3 17.8 19.1 18.6 118 119 A K H <5S+ 0 0 156 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.885 121.4 33.9 -61.7 -38.6 15.1 16.5 17.7 119 120 A E H <5S+ 0 0 151 -4,-1.9 -2,-0.2 -5,-0.2 -3,-0.2 0.911 136.0 18.5 -85.5 -47.8 12.5 19.3 16.8 120 121 A K H <5S- 0 0 97 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.555 96.6-119.1-102.5 -13.5 14.7 22.1 15.3 121 122 A G << + 0 0 21 -4,-1.6 -4,-0.2 -5,-0.6 -3,-0.1 0.660 45.3 175.1 83.2 16.5 17.9 20.2 14.4 122 123 A T - 0 0 1 -6,-0.7 2,-0.4 -9,-0.1 -1,-0.2 -0.340 22.7-135.5 -58.4 133.7 20.2 22.3 16.7 123 124 A I E -d 95 0B 13 -29,-2.4 -27,-2.7 -2,-0.0 2,-0.4 -0.769 8.2-138.1-101.7 136.8 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205 A P T 45S+ 0 0 33 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.767 88.3 65.9 -72.6 -22.8 56.9 47.6 27.0 205 206 A A T 45S+ 0 0 29 1,-0.2 809,-0.0 3,-0.1 -2,-0.0 0.970 122.1 14.8 -59.1 -51.7 55.7 51.1 27.5 206 207 A N T 45S- 0 0 33 2,-0.2 -1,-0.2 -3,-0.0 3,-0.1 0.369 95.9-126.0-109.7 0.2 54.3 50.5 31.0 207 208 A E T <5S+ 0 0 13 -4,-1.3 416,-3.2 1,-0.2 2,-0.4 0.742 70.6 127.8 62.7 26.4 56.0 47.2 31.8 208 209 A T E < -Mn 203 623E 16 -5,-0.7 -5,-2.9 414,-0.2 -1,-0.2 -0.886 65.9-110.2-119.4 140.3 52.5 45.9 32.5 209 210 A V E -M 202 0E 1 414,-2.5 -7,-0.2 -2,-0.4 7,-0.1 -0.231 27.2-129.8 -56.5 158.8 50.6 42.8 31.2 210 211 A V S S+ 0 0 9 -9,-1.6 2,-0.3 6,-0.2 -152,-0.1 0.610 84.9 48.6 -98.0 -16.4 47.7 43.6 28.9 211 212 A I - 0 0 0 -10,-0.3 414,-0.3 5,-0.1 -154,-0.2 -0.943 68.4-143.9-123.7 152.3 44.9 41.6 30.5 212 213 A K > + 0 0 56 -156,-3.2 3,-0.8 -2,-0.3 4,-0.3 0.909 68.2 89.5 -79.3 -46.4 43.9 41.5 34.2 213 214 A P G > S+ 0 0 8 0, 0.0 3,-1.7 0, 0.0 4,-0.3 -0.153 97.4 2.6 -64.7 147.4 42.8 37.8 34.8 214 215 A K G > S- 0 0 47 1,-0.3 3,-1.5 2,-0.2 -2,-0.1 0.797 127.0 -61.5 54.2 42.2 45.4 35.2 35.9 215 216 A Q G < S- 0 0 67 -3,-0.8 -1,-0.3 1,-0.3 -3,-0.1 0.747 105.9 -48.8 55.3 30.1 48.4 37.6 36.2 216 217 A G G < S+ 0 0 0 -3,-1.7 -15,-0.7 -4,-0.3 2,-0.4 0.406 100.4 138.9 97.7 -2.8 48.0 38.3 32.4 217 218 A F E < + L 0 200D 8 -3,-1.5 2,-0.3 -4,-0.3 -1,-0.3 -0.636 22.7 145.1 -85.2 125.2 47.8 34.7 31.1 218 219 A G E - L 0 199D 0 -19,-2.1 -19,-2.5 -2,-0.4 2,-0.2 -0.932 48.9 -77.9-148.9 173.2 45.3 34.1 28.3 219 220 A G E -K 67 0D 0 -152,-2.6 -152,-1.8 -2,-0.3 2,-0.4 -0.558 40.7-137.4 -77.2 140.2 44.5 32.2 25.2 220 221 A L E +KL 66 196D 0 -24,-2.7 -24,-2.6 -2,-0.2 2,-0.3 -0.794 28.5 162.7-101.1 135.6 46.1 33.2 21.9 221 222 A G E > +K 65 0D 12 -156,-2.0 -156,-2.0 -2,-0.4 3,-0.5 -0.848 35.5 45.9-135.5 176.0 44.2 33.4 18.5 222 223 A G E > S-K 64 0D 4 -158,-0.3 3,-1.7 -2,-0.3 4,-0.4 -0.623 113.7 -5.5 93.3-144.3 44.7 34.9 15.1 223 224 A K G > S+ 0 0 81 -160,-0.7 3,-1.0 1,-0.3 -1,-0.2 0.817 125.4 66.9 -62.8 -29.8 47.9 34.9 13.1 224 225 A Y G < S+ 0 0 23 -161,-1.3 -1,-0.3 -3,-0.5 4,-0.3 0.800 104.3 43.4 -55.1 -31.9 49.8 33.2 15.9 225 226 A V G <> S+ 0 0 5 -3,-1.7 4,-3.1 1,-0.1 5,-0.2 0.425 79.0 101.2-105.2 3.9 47.9 30.0 15.7 226 227 A L H <> S+ 0 0 23 -3,-1.0 4,-3.1 -4,-0.4 5,-0.2 0.944 87.9 41.5 -59.7 -56.1 47.6 29.2 11.9 227 228 A P H > S+ 0 0 4 0, 0.0 4,-2.1 0, 0.0 287,-1.2 0.872 116.6 50.7 -56.5 -37.7 50.3 26.5 11.6 228 229 A T H > S+ 0 0 2 -4,-0.3 4,-2.2 285,-0.2 -2,-0.2 0.927 113.4 45.5 -62.5 -45.4 49.1 25.0 14.9 229 230 A A H X S+ 0 0 0 -4,-3.1 4,-3.0 2,-0.2 5,-0.2 0.939 113.6 48.5 -62.9 -48.7 45.5 24.9 13.7 230 231 A L H X S+ 0 0 3 -4,-3.1 4,-2.1 -5,-0.2 -1,-0.2 0.867 111.9 49.4 -61.2 -39.3 46.4 23.5 10.3 231 232 A A H X S+ 0 0 0 -4,-2.1 4,-2.7 -5,-0.2 -1,-0.2 0.901 113.0 46.7 -65.6 -44.9 48.6 20.8 11.9 232 233 A N H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 5,-0.3 0.939 111.1 51.6 -65.4 -46.7 45.8 19.8 14.2 233 234 A V H X S+ 0 0 0 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.954 115.1 42.1 -50.8 -53.0 43.2 19.7 11.5 234 235 A N H X S+ 0 0 2 -4,-2.1 4,-2.3 2,-0.2 5,-0.2 0.886 110.6 56.2 -68.4 -38.1 45.3 17.5 9.3 235 236 A A H X S+ 0 0 0 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.944 115.1 37.9 -56.0 -47.8 46.4 15.3 12.2 236 237 A F H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.847 110.9 59.9 -77.2 -31.2 42.8 14.5 13.1 237 238 A F H < S+ 0 0 55 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.926 112.4 40.4 -57.7 -45.2 41.7 14.3 9.5 238 239 A R H < S+ 0 0 93 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.850 121.0 42.5 -71.4 -35.6 44.3 11.5 9.0 239 240 A R H < S+ 0 0 63 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.690 116.7 44.4 -91.3 -20.0 43.5 9.8 12.3 240 241 A C >< + 0 0 1 -4,-2.5 3,-1.7 1,-0.1 -1,-0.2 -0.586 60.8 158.8-123.9 69.3 39.7 10.0 12.3 241 242 A P T 3 S+ 0 0 101 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.682 75.6 55.7 -68.0 -18.1 38.6 9.0 8.7 242 243 A D T 3 S+ 0 0 162 -3,-0.1 2,-0.2 2,-0.1 -2,-0.0 0.381 106.9 62.4 -94.7 8.4 35.1 8.1 9.9 243 244 A K S < S- 0 0 27 -3,-1.7 2,-0.3 -7,-0.2 -54,-0.2 -0.723 80.5-117.0-121.2 172.2 34.6 11.6 11.4 244 245 A L E -g 189 0B 39 -56,-2.3 -54,-2.0 -2,-0.2 2,-0.4 -0.817 20.3-143.7-106.8 152.9 34.6 15.2 10.1 245 246 A V E -gh 190 265B 1 19,-0.5 21,-3.4 -2,-0.3 2,-0.4 -0.966 4.5-158.4-119.0 129.5 37.0 18.0 11.1 246 247 A F E -g 191 0B 0 -56,-3.4 -54,-3.1 -2,-0.4 2,-0.4 -0.899 17.7-138.6 -99.3 134.6 36.2 21.7 11.5 247 248 A G E +gh 192 268B 0 20,-2.6 22,-3.3 -2,-0.4 2,-0.3 -0.788 25.8 170.7 -92.5 138.2 39.0 24.1 11.2 248 249 A C E + h 0 269B 10 -56,-2.4 22,-0.1 -2,-0.4 -15,-0.1 -0.942 33.3 69.1-147.6 123.5 39.4 27.0 13.6 249 250 A G S S+ 0 0 10 20,-0.9 -19,-0.1 -2,-0.3 -1,-0.1 0.082 87.6 10.3 134.2 116.9 42.4 29.4 13.9 250 251 A G S S+ 0 0 5 1,-0.2 2,-0.7 -21,-0.1 3,-0.1 0.602 70.3 149.7 79.8 13.4 44.2 32.2 12.0 251 252 A V + 0 0 5 18,-0.3 22,-0.4 1,-0.2 -1,-0.2 -0.723 5.0 141.7 -85.5 113.0 41.6 32.6 9.2 252 253 A Y + 0 0 33 -2,-0.7 2,-0.3 1,-0.2 -1,-0.2 0.309 69.0 15.5-120.7 -0.5 41.6 36.3 8.0 253 254 A S S > S- 0 0 25 -3,-0.1 4,-1.5 1,-0.1 -1,-0.2 -0.958 84.8 -90.7-162.5 167.9 41.1 35.5 4.3 254 255 A G H > S+ 0 0 0 -2,-0.3 4,-2.5 1,-0.2 5,-0.1 0.795 118.9 61.6 -60.1 -31.6 40.0 33.0 1.6 255 256 A E H > S+ 0 0 67 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.929 105.6 45.6 -63.9 -43.3 43.7 31.9 1.3 256 257 A E H > S+ 0 0 29 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.861 113.0 50.1 -69.8 -33.3 43.7 30.7 4.9 257 258 A A H X S+ 0 0 0 -4,-1.5 4,-2.6 2,-0.2 -2,-0.2 0.895 107.5 54.5 -67.8 -41.8 40.3 29.0 4.6 258 259 A F H X S+ 0 0 0 -4,-2.5 4,-3.0 1,-0.2 -2,-0.2 0.923 109.3 48.8 -53.8 -46.7 41.6 27.3 1.4 259 260 A L H X S+ 0 0 6 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.898 109.4 50.9 -63.8 -44.6 44.5 26.0 3.5 260 261 A H H X>S+ 0 0 0 -4,-2.1 5,-2.5 2,-0.2 4,-0.8 0.916 114.2 44.9 -54.2 -45.3 42.3 24.7 6.3 261 262 A I H ><5S+ 0 0 0 -4,-2.6 45,-2.3 3,-0.2 3,-1.2 0.946 111.5 51.6 -69.1 -46.3 40.1 22.9 3.8 262 263 A L H 3<5S+ 0 0 0 -4,-3.0 46,-1.5 43,-0.3 -1,-0.2 0.884 107.7 54.2 -55.7 -39.8 43.2 21.5 2.0 263 264 A A H 3<5S- 0 0 0 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.700 137.1 -83.1 -66.5 -22.0 44.4 20.3 5.4 264 265 A G T <<5S+ 0 0 0 -3,-1.2 -19,-0.5 -4,-0.8 -3,-0.2 0.388 76.2 148.5 137.4 -0.3 41.0 18.4 5.9 265 266 A A E < - h 0 245B 0 -5,-2.5 -19,-0.2 -6,-0.1 -1,-0.2 -0.389 26.0-174.8 -73.0 137.5 38.4 20.9 7.2 266 267 A S E S+ 0 0 6 -21,-3.4 2,-0.3 1,-0.3 -20,-0.2 0.887 80.6 22.4 -90.0 -58.1 34.7 20.6 6.4 267 268 A M E S- 0 0 0 -22,-0.4 -20,-2.6 -7,-0.1 2,-0.5 -0.790 76.0-143.6-104.7 157.2 33.6 23.9 8.0 268 269 A V E -bh 15 247B 0 -254,-2.5 -252,-1.6 -2,-0.3 2,-0.3 -0.982 11.4-153.4-125.8 120.4 35.9 26.9 8.8 269 270 A Q E -bh 16 248B 0 -22,-3.3 -20,-0.9 -2,-0.5 2,-0.5 -0.716 1.8-156.9 -99.6 144.8 35.5 29.0 11.9 270 271 A V E +b 17 0B 1 -254,-2.1 -252,-1.8 -2,-0.3 -249,-0.1 -0.966 26.0 149.5-125.9 114.8 36.5 32.6 12.3 271 272 A G S > S+ 0 0 16 -2,-0.5 4,-2.0 -254,-0.2 3,-0.3 0.787 70.1 27.2-103.1 -85.0 37.3 34.2 15.7 272 273 A T H > S+ 0 0 17 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.872 119.5 53.3 -52.7 -48.4 39.8 37.0 15.9 273 274 A A H > S+ 0 0 2 -22,-0.4 4,-2.2 1,-0.2 5,-0.2 0.892 111.6 48.3 -56.3 -41.8 39.4 38.3 12.4 274 275 A L H > S+ 0 0 5 -3,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.854 107.7 53.3 -66.1 -42.0 35.6 38.6 13.1 275 276 A H H < S+ 0 0 97 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.861 116.3 42.6 -58.6 -36.7 36.2 40.3 16.4 276 277 A D H < S+ 0 0 92 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.890 128.6 23.8 -72.2 -42.9 38.3 42.8 14.5 277 278 A E H < S- 0 0 80 -4,-2.2 3,-0.3 -5,-0.2 -3,-0.2 0.729 96.3-128.6-109.7 -30.0 36.2 43.3 11.4 278 279 A G >< - 0 0 18 -4,-2.4 3,-1.8 -5,-0.2 -1,-0.2 -0.229 48.6 -52.3 97.9 173.3 32.6 42.5 12.2 279 280 A P T > S+ 0 0 20 0, 0.0 3,-1.5 0, 0.0 -243,-0.5 0.620 120.6 78.6 -62.0 -17.1 30.1 40.1 10.4 280 281 A I T >> S+ 0 0 126 -3,-0.3 4,-1.1 1,-0.3 3,-1.0 0.719 76.0 79.5 -63.0 -21.1 30.7 41.8 7.0 281 282 A I H <> S+ 0 0 0 -3,-1.8 4,-2.5 1,-0.2 -1,-0.3 0.769 81.1 65.3 -54.1 -30.0 33.9 39.7 6.8 282 283 A F H <> S+ 0 0 0 -3,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.844 97.8 52.0 -68.3 -32.8 31.9 36.7 5.8 283 284 A A H <> S+ 0 0 32 -3,-1.0 4,-1.5 -4,-0.3 -1,-0.2 0.880 111.9 47.3 -68.8 -40.8 30.9 38.3 2.5 284 285 A R H X S+ 0 0 60 -4,-1.1 4,-2.4 2,-0.2 -2,-0.2 0.894 110.5 52.5 -61.1 -45.5 34.6 39.0 1.8 285 286 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 5,-0.2 0.886 107.9 50.1 -64.9 -41.1 35.5 35.4 2.8 286 287 A N H X S+ 0 0 14 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.903 113.6 46.9 -58.4 -46.1 33.0 33.8 0.4 287 288 A K H X S+ 0 0 134 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.869 113.8 46.6 -66.5 -40.2 34.3 36.0 -2.5 288 289 A E H X S+ 0 0 49 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.899 111.9 49.9 -72.3 -38.7 38.0 35.3 -1.7 289 290 A L H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.912 111.9 48.9 -66.9 -41.7 37.5 31.6 -1.4 290 291 A Q H X S+ 0 0 92 -4,-2.0 4,-2.6 -5,-0.2 5,-0.2 0.917 108.6 53.7 -57.8 -47.6 35.6 31.5 -4.7 291 292 A E H X S+ 0 0 115 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.874 110.6 46.5 -57.5 -41.6 38.3 33.6 -6.4 292 293 A I H X S+ 0 0 34 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.892 112.1 50.9 -67.4 -41.4 41.0 31.0 -5.3 293 294 A M H X>S+ 0 0 6 -4,-2.1 5,-2.3 2,-0.2 4,-1.1 0.891 110.9 47.5 -65.4 -42.1 38.8 28.1 -6.4 294 295 A T H <5S+ 0 0 97 -4,-2.6 3,-0.4 2,-0.2 -2,-0.2 0.917 109.0 53.9 -66.1 -42.8 38.3 29.5 -9.9 295 296 A N H <5S+ 0 0 126 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.876 118.2 37.1 -58.4 -33.8 42.0 30.3 -10.3 296 297 A K H <5S- 0 0 70 -4,-1.6 -1,-0.2 -5,-0.1 -2,-0.2 0.563 113.7-117.7 -92.5 -11.5 42.7 26.6 -9.5 297 298 A G T <5 + 0 0 56 -4,-1.1 2,-0.4 -3,-0.4 -3,-0.2 0.646 61.5 147.3 79.4 16.4 39.6 25.2 -11.4 298 299 A Y < - 0 0 46 -5,-2.3 -1,-0.3 -6,-0.2 -2,-0.1 -0.697 25.6-177.9 -79.5 136.8 37.9 23.7 -8.3 299 300 A K + 0 0 135 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.555 69.6 26.7-107.8 -16.2 34.1 23.8 -8.5 300 301 A T S > S- 0 0 56 1,-0.1 3,-0.6 -298,-0.1 4,-0.2 -0.949 75.5-119.0-143.3 162.0 33.4 22.3 -5.1 301 302 A L G >> S+ 0 0 8 -298,-0.4 3,-1.9 -300,-0.4 4,-1.6 0.871 110.5 60.9 -70.5 -38.9 35.2 22.0 -1.7 302 303 A D G 34 S+ 0 0 98 1,-0.3 -1,-0.2 2,-0.2 -298,-0.0 0.652 87.1 75.2 -67.5 -13.3 35.3 18.2 -1.8 303 304 A E G <4 S+ 0 0 69 -3,-0.6 -1,-0.3 1,-0.2 -2,-0.2 0.721 119.3 12.2 -65.1 -21.4 37.5 18.5 -5.0 304 305 A F T X4 S+ 0 0 0 -3,-1.9 3,-2.0 -4,-0.2 -2,-0.2 0.437 87.3 130.9-134.9 -0.6 40.3 19.5 -2.7 305 306 A R T 3< S- 0 0 70 -4,-1.6 -43,-0.3 1,-0.3 -44,-0.1 -0.362 89.9 -1.4 -62.5 125.2 39.4 18.8 0.9 306 307 A G T 3 S+ 0 0 18 -45,-2.3 -1,-0.3 -46,-0.1 -44,-0.2 0.582 96.6 121.4 76.0 11.3 42.2 16.9 2.6 307 308 A R < + 0 0 153 -3,-2.0 -44,-0.2 -46,-0.1 -2,-0.1 0.053 28.1 146.6-101.5 25.5 44.4 16.8 -0.5 308 309 A V - 0 0 14 -46,-1.5 2,-0.3 -47,-0.1 214,-0.2 -0.414 44.9-131.3 -57.0 130.6 47.4 18.6 0.9 309 310 A K B -o 522 0F 121 212,-3.0 214,-2.3 211,-0.1 2,-0.3 -0.631 20.4-163.2 -89.0 147.1 50.5 17.1 -0.8 310 311 A T - 0 0 41 -2,-0.3 216,-0.1 212,-0.2 218,-0.0 -0.836 22.0-134.2-121.6 166.8 53.6 16.0 1.1 311 312 A M 0 0 67 214,-0.3 215,-0.1 -2,-0.3 -2,-0.0 0.377 360.0 360.0-102.4 2.8 57.2 15.2 -0.1 312 313 A D 0 0 123 214,-0.1 -2,-0.2 215,-0.1 214,-0.0 -0.249 360.0 360.0-115.9 360.0 57.7 11.9 1.7 313 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 314 1 B M 0 0 98 0, 0.0 2,-0.3 0, 0.0 300,-0.2 0.000 360.0 360.0 360.0 132.9 74.9 51.6 32.8 315 2 B S - 0 0 40 298,-2.4 300,-0.5 2,-0.1 12,-0.1 -0.975 360.0-177.2-150.4 126.5 75.4 47.8 32.6 316 3 B L + 0 0 12 -2,-0.3 298,-0.1 10,-0.3 -1,-0.1 0.212 53.6 134.1 -95.5 10.1 74.0 44.9 30.6 317 4 B K - 0 0 86 10,-0.1 298,-0.4 11,-0.1 2,-0.4 -0.216 39.7-162.3 -66.8 152.4 76.2 42.6 32.6 318 5 B V E -Q 325 0G 2 7,-2.2 7,-3.9 9,-0.2 2,-0.6 -0.998 4.2-164.0-137.7 127.8 75.0 39.3 34.1 319 6 B N E +Q 324 0G 104 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.885 37.8 124.9-120.7 97.1 76.7 37.5 36.9 320 7 B I E > +Q 323 0G 23 3,-1.2 3,-2.2 -2,-0.6 -2,-0.1 -0.960 53.1 25.4-147.4 161.0 75.5 33.9 37.2 321 8 B L T 3 S- 0 0 48 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.723 127.4 -59.4 58.8 28.6 76.6 30.3 37.3 322 9 B G T 3 S+ 0 0 83 1,-0.3 2,-0.3 -3,-0.0 -1,-0.3 0.694 118.4 99.4 70.6 22.1 80.1 31.3 38.5 323 10 B H E < -Q 320 0G 52 -3,-2.2 -3,-1.2 84,-0.0 2,-0.6 -0.935 68.0-132.2-134.2 154.4 80.7 33.5 35.4 324 11 B E E -Q 319 0G 109 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.965 25.1-159.5-104.5 120.1 80.5 37.2 34.5 325 12 B F E -Q 318 0G 0 -7,-3.9 -7,-2.2 -2,-0.6 28,-0.1 -0.856 15.5-145.0 -99.5 137.8 78.6 37.8 31.2 326 13 B S S S- 0 0 76 26,-0.4 -10,-0.3 -2,-0.4 -1,-0.1 0.856 84.1 -6.0 -66.8 -39.0 79.2 41.0 29.3 327 14 B N S S- 0 0 5 2,-0.2 -1,-0.2 -10,-0.1 -9,-0.2 -0.939 72.7-109.9-151.6 166.0 75.5 41.1 28.1 328 15 B P S S+ 0 0 0 0, 0.0 254,-3.3 0, 0.0 2,-0.2 0.521 80.8 107.4 -81.7 -3.4 72.5 38.7 28.5 329 16 B F E +r 582 0H 0 252,-0.2 24,-1.9 21,-0.1 23,-1.2 -0.486 32.5 143.1 -84.8 143.1 72.4 37.8 24.8 330 17 B M E -r 583 0H 0 252,-1.7 254,-1.8 22,-0.2 24,-0.2 -0.948 49.8 -85.3-155.8 168.5 73.4 34.5 23.1 331 18 B N E -r 584 0H 0 22,-0.4 2,-0.3 -2,-0.3 254,-0.2 -0.428 43.0-112.0 -70.5 155.2 72.3 32.3 20.3 332 19 B A > - 0 0 7 252,-1.8 3,-2.1 251,-0.1 23,-0.1 -0.712 49.2 -86.6 -81.8 141.8 69.5 29.7 20.7 333 20 B A T 3 S+ 0 0 19 -2,-0.3 24,-0.2 1,-0.2 -1,-0.1 -0.196 115.6 27.5 -50.4 134.5 70.8 26.1 20.5 334 21 B G T 3 S+ 0 0 27 21,-0.3 2,-0.5 1,-0.2 3,-0.3 0.062 96.8 100.2 101.2 -23.4 70.8 25.0 16.9 335 22 B V S < S- 0 0 25 -3,-2.1 20,-0.2 1,-0.2 -1,-0.2 -0.882 101.6 -20.0-101.7 122.9 71.3 28.4 15.3 336 23 B L S S+ 0 0 31 -2,-0.5 10,-0.2 1,-0.1 -1,-0.2 0.881 115.8 89.9 50.9 52.4 74.8 29.3 14.1 337 24 B C + 0 0 0 -3,-0.3 20,-2.1 8,-0.1 -2,-0.1 0.173 50.4 91.5-162.3 23.7 76.6 26.8 16.3 338 25 B T S S+ 0 0 32 18,-0.2 50,-0.4 -4,-0.1 2,-0.2 0.885 85.3 42.2 -92.5 -48.4 77.0 23.4 14.5 339 26 B T S > S- 0 0 54 1,-0.1 4,-2.3 48,-0.1 5,-0.2 -0.518 88.2-108.2 -98.2 166.2 80.4 23.9 12.8 340 27 B E H > S+ 0 0 76 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.907 122.1 52.1 -58.1 -43.3 83.7 25.3 14.1 341 28 B E H > S+ 0 0 116 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.878 106.9 51.9 -57.6 -45.7 83.2 28.3 11.8 342 29 B D H > S+ 0 0 31 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.974 113.5 44.7 -55.7 -53.0 79.6 28.9 13.2 343 30 B L H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.849 110.8 53.2 -64.0 -35.9 81.1 28.9 16.7 344 31 B 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126.7 -58.2 60.5 22.9 5.0 63.0 37.2 636 9 C G T 3 S+ 0 0 82 1,-0.3 2,-0.3 -3,-0.0 -1,-0.3 0.571 118.7 97.0 82.5 12.2 1.5 62.1 38.4 637 10 C H E < -C 634 0K 53 -3,-2.2 -3,-1.2 84,-0.0 2,-0.5 -0.885 67.0-133.3-131.2 157.2 0.9 59.9 35.3 638 11 C E E -C 633 0K 117 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.973 22.0-163.5-113.6 121.4 1.1 56.2 34.3 639 12 C F E -C 632 0K 0 -7,-2.8 -7,-1.8 -2,-0.5 28,-0.1 -0.874 19.5-141.9-103.0 134.6 2.9 55.5 31.0 640 13 C S S S- 0 0 64 -2,-0.4 -10,-0.4 26,-0.4 -1,-0.1 0.834 86.4 -6.1 -60.5 -36.6 2.4 52.1 29.2 641 14 C N S S- 0 0 8 2,-0.2 -9,-0.2 -10,-0.1 -10,-0.1 -0.940 74.5-104.9-154.4 166.8 6.1 52.2 28.2 642 15 C P S S+ 0 0 0 0, 0.0 254,-3.3 0, 0.0 2,-0.2 0.492 79.7 111.3 -78.0 -1.3 9.1 54.6 28.4 643 16 C F E +d 896 0L 0 252,-0.2 24,-2.0 21,-0.2 23,-1.3 -0.504 29.9 144.5 -89.9 137.9 9.1 55.6 24.7 644 17 C M E -d 897 0L 0 252,-1.7 254,-1.7 -2,-0.2 24,-0.2 -0.944 49.2 -89.7-149.5 167.4 8.2 58.9 23.1 645 18 C N E -d 898 0L 0 22,-0.3 2,-0.3 -2,-0.3 254,-0.2 -0.479 42.7-112.2 -70.8 153.5 9.3 61.0 20.1 646 19 C A > - 0 0 6 252,-1.7 3,-1.8 -2,-0.1 23,-0.1 -0.658 49.2 -87.8 -77.6 147.1 12.1 63.5 20.6 647 20 C A T 3 S+ 0 0 19 -2,-0.3 24,-0.2 1,-0.2 -1,-0.1 -0.275 115.0 30.0 -58.5 140.6 10.8 67.1 20.3 648 21 C G T 3 S+ 0 0 28 21,-0.3 2,-0.5 1,-0.2 3,-0.3 -0.006 96.8 97.0 98.8 -30.7 10.9 68.2 16.7 649 22 C V S < S- 0 0 36 -3,-1.8 -1,-0.2 1,-0.2 249,-0.1 -0.844 102.8 -17.3 -98.0 129.0 10.3 64.8 15.0 650 23 C L S S+ 0 0 30 -2,-0.5 -1,-0.2 1,-0.1 10,-0.2 0.876 115.6 90.1 46.7 54.3 6.8 63.8 14.0 651 24 C C + 0 0 0 -3,-0.3 20,-2.6 8,-0.1 -2,-0.1 0.239 48.4 92.6-162.1 23.8 5.1 66.5 16.1 652 25 C T S S+ 0 0 35 18,-0.2 50,-0.4 -4,-0.1 2,-0.2 0.866 85.2 39.5 -94.0 -46.1 4.6 69.8 14.3 653 26 C T S > S- 0 0 55 48,-0.1 4,-2.3 1,-0.1 5,-0.1 -0.482 88.5-105.6 -99.5 171.4 1.1 69.5 12.8 654 27 C E H > S+ 0 0 78 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.889 122.9 52.7 -62.4 -41.8 -2.2 68.0 14.2 655 28 C E H > S+ 0 0 111 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.895 106.4 52.3 -61.4 -43.4 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K H X S+ 0 0 129 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.913 114.4 47.3 -54.3 -47.5 47.5 57.7 -2.4 1229 289 D E H X S+ 0 0 53 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.904 110.9 48.4 -68.5 -42.4 43.9 58.5 -1.6 1230 290 D L H X S+ 0 0 0 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.900 112.8 50.4 -65.3 -40.3 44.3 62.3 -1.2 1231 291 D Q H X S+ 0 0 91 -4,-2.2 4,-2.0 -5,-0.2 -1,-0.2 0.885 107.3 54.8 -57.0 -44.4 46.3 62.4 -4.5 1232 292 D E H X S+ 0 0 128 -4,-2.0 4,-1.4 1,-0.2 -2,-0.2 0.921 111.0 42.4 -61.2 -46.7 43.5 60.4 -6.2 1233 293 D I H X S+ 0 0 34 -4,-1.9 4,-1.2 2,-0.2 -1,-0.2 0.770 109.6 58.3 -75.9 -25.2 40.7 62.8 -5.2 1234 294 D M H <>S+ 0 0 6 -4,-1.7 5,-2.7 -5,-0.2 4,-0.5 0.924 108.1 46.6 -63.5 -44.1 42.9 65.9 -6.0 1235 295 D T H <5S+ 0 0 101 -4,-2.0 -2,-0.2 3,-0.2 -1,-0.2 0.787 105.8 59.7 -71.3 -29.1 43.3 64.6 -9.6 1236 296 D N H <5S+ 0 0 120 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.855 114.8 36.2 -59.0 -37.0 39.5 63.9 -9.8 1237 297 D K T <5S- 0 0 59 -4,-1.2 -2,-0.2 -3,-0.3 -1,-0.2 0.455 114.6-119.0 -96.6 -2.4 39.0 67.6 -9.1 1238 298 D G T 5 + 0 0 45 -4,-0.5 2,-0.2 1,-0.2 -3,-0.2 0.646 58.8 155.5 73.3 16.9 42.0 68.6 -11.2 1239 299 D Y < - 0 0 48 -5,-2.7 -1,-0.2 -6,-0.2 -2,-0.1 -0.565 24.8-177.3 -79.5 140.0 43.7 70.2 -8.2 1240 300 D K + 0 0 148 -2,-0.2 2,-0.3 1,-0.2 -1,-0.1 0.713 67.4 27.4-108.7 -30.8 47.5 70.5 -8.2 1241 301 D T S S- 0 0 59 1,-0.1 3,-0.4 -298,-0.1 4,-0.3 -0.890 73.0-122.8-126.1 162.8 48.3 72.0 -4.8 1242 302 D L S >> S+ 0 0 1 -298,-0.4 3,-1.7 -300,-0.3 4,-1.4 0.860 109.4 64.7 -69.9 -34.8 46.6 71.9 -1.5 1243 303 D D T 34 S+ 0 0 107 1,-0.3 -1,-0.2 2,-0.2 -298,-0.0 0.761 87.0 72.8 -63.3 -22.7 46.5 75.8 -1.4 1244 304 D E T 34 S+ 0 0 91 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.2 0.751 117.2 15.3 -61.2 -27.2 44.1 75.6 -4.4 1245 305 D F T X4 S+ 0 0 0 -3,-1.7 3,-2.4 -4,-0.3 -2,-0.2 0.425 86.1 133.3-129.0 2.3 41.3 74.3 -2.2 1246 306 D R T 3< S- 0 0 27 -4,-1.4 -43,-0.3 1,-0.3 -44,-0.1 -0.331 91.6 -4.7 -59.3 123.3 42.3 75.0 1.4 1247 307 D G T 3 S+ 0 0 15 -45,-2.3 -1,-0.3 -46,-0.2 -44,-0.2 0.629 100.0 121.7 68.8 13.6 39.3 76.6 3.1 1248 308 D R < + 0 0 176 -3,-2.4 -44,-0.2 -46,-0.2 -2,-0.1 0.136 28.8 149.0 -99.2 20.4 37.4 76.7 -0.2 1249 309 D V - 0 0 13 -46,-2.0 2,-0.3 -47,-0.1 -413,-0.2 -0.289 44.9-128.8 -49.4 133.7 34.5 74.6 1.1 1250 310 D K B -p 836 0O 108 -415,-3.1 -413,-2.4 -416,-0.1 2,-0.2 -0.703 19.0-155.2 -91.9 142.5 31.4 75.8 -0.8 1251 311 D T - 0 0 47 -2,-0.3 -411,-0.1 -415,-0.2 -409,-0.0 -0.519 23.5-144.2 -97.3 172.5 28.1 76.8 1.0 1252 312 D M 0 0 76 -413,-0.3 -412,-0.1 -412,-0.2 -1,-0.0 -0.000 360.0 360.0-102.3 18.4 24.6 76.8 -0.4 1253 313 D D 0 0 106 -414,-0.1 -2,-0.1 -412,-0.1 -413,-0.0 -0.741 360.0 360.0-117.8 360.0 24.4 79.9 1.9