==== 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 STRUCTURAL PROTEIN 23-JAN-06 2FSK . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN TA0583; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOPLASMA ACIDOPHILUM; . AUTHOR A.ROEBEN,C.KOFLER,I.NAGY,S.NICKELL,F.ULRICH HARTL,A.BRACHER . 645 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28588.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 491 76.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 52 8.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 103 16.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.9 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 . 55 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 90 14.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 167 25.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 0.9 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 0 0 2 2 1 4 0 0 0 2 0 0 0 0 0 0 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 2 0 2 0 0 2 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 . 6 4 3 5 2 2 2 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 2 0 2 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 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 X 0 0 147 0, 0.0 2,-0.5 0, 0.0 97,-0.2 0.000 360.0 360.0 360.0 147.9 -4.9 -15.9 65.9 2 2 A V E -a 98 0A 28 95,-1.6 97,-2.4 2,-0.0 2,-0.5 -0.846 360.0-159.0 -92.9 128.3 -3.2 -12.8 64.5 3 3 A V E -a 99 0A 14 -2,-0.5 2,-0.3 95,-0.2 97,-0.2 -0.943 12.0-176.8-108.0 126.6 -5.2 -10.7 62.1 4 4 A V E -a 100 0A 1 95,-2.1 97,-2.9 -2,-0.5 2,-0.4 -0.906 18.7-139.5-119.5 147.1 -3.3 -8.4 59.7 5 5 A G E -aB 101 16A 0 11,-2.4 11,-2.1 -2,-0.3 2,-0.4 -0.887 23.6-176.4-100.8 140.2 -4.7 -5.9 57.2 6 6 A L E + B 0 15A 2 95,-2.4 97,-0.4 -2,-0.4 2,-0.4 -0.990 16.8 175.0-141.7 134.3 -2.9 -5.6 53.8 7 7 A D E - B 0 14A 8 7,-2.9 7,-2.6 -2,-0.4 2,-1.1 -0.899 11.0-166.9-140.3 101.3 -3.4 -3.4 50.8 8 8 A V E - B 0 13A 1 -2,-0.4 65,-2.4 95,-0.3 66,-0.5 -0.801 17.0-177.8 -94.3 93.0 -0.8 -3.8 48.0 9 9 A G - 0 0 1 3,-2.2 63,-0.1 -2,-1.1 62,-0.1 -0.441 40.5-120.0 -81.9 163.6 -1.3 -0.8 45.7 10 10 A Y S S+ 0 0 29 -2,-0.1 3,-0.1 58,-0.1 -1,-0.1 0.742 118.5 35.4 -72.0 -22.2 0.7 -0.2 42.6 11 11 A G S S+ 0 0 28 1,-0.3 16,-2.5 15,-0.1 2,-0.3 0.923 130.6 2.5 -87.5 -63.9 1.8 3.0 44.3 12 12 A D E - C 0 26A 48 14,-0.3 -3,-2.2 15,-0.1 2,-0.5 -0.910 58.5-134.4-130.6 153.2 2.1 2.1 48.0 13 13 A T E -BC 8 25A 0 12,-3.1 12,-1.8 -2,-0.3 2,-0.4 -0.943 23.9-167.5-107.8 128.8 1.8 -1.0 50.2 14 14 A K E -BC 7 24A 18 -7,-2.6 -7,-2.9 -2,-0.5 2,-0.4 -0.935 6.2-178.9-119.2 138.2 -0.1 -0.5 53.5 15 15 A V E -BC 6 23A 0 8,-2.1 8,-2.4 -2,-0.4 2,-0.5 -0.991 17.1-156.6-137.5 141.1 -0.2 -3.0 56.4 16 16 A I E -BC 5 22A 0 -11,-2.1 -11,-2.4 -2,-0.4 6,-0.2 -0.986 26.8-148.3-115.7 116.7 -2.0 -2.9 59.6 17 17 A G > - 0 0 1 4,-2.8 3,-2.1 -2,-0.5 75,-0.1 -0.020 33.0 -80.4 -83.5-174.4 -0.3 -5.1 62.1 18 18 A V T 3 S+ 0 0 52 1,-0.3 -15,-0.2 73,-0.2 74,-0.1 0.857 131.2 38.8 -60.0 -40.7 -1.5 -7.2 65.1 19 19 A D T 3 S- 0 0 133 2,-0.0 -1,-0.3 1,-0.0 -15,-0.1 0.288 127.6 -92.3 -90.2 6.0 -1.7 -4.2 67.4 20 20 A G < + 0 0 22 -3,-2.1 -2,-0.1 1,-0.3 -5,-0.0 0.392 68.8 165.2 97.0 -0.4 -3.0 -1.8 64.8 21 21 A K - 0 0 102 -5,-0.1 -4,-2.8 70,-0.1 2,-0.5 -0.278 28.9-141.0 -56.6 127.7 0.5 -0.6 63.9 22 22 A R E +C 16 0A 92 -6,-0.2 2,-0.4 -8,-0.1 -6,-0.2 -0.822 23.7 176.3-101.9 120.9 0.3 1.3 60.6 23 23 A I E +C 15 0A 14 -8,-2.4 -8,-2.1 -2,-0.5 2,-0.4 -0.990 3.4 178.4-125.1 138.9 3.1 0.8 58.0 24 24 A I E +C 14 0A 64 -2,-0.4 -10,-0.2 -10,-0.2 284,-0.0 -1.000 7.2 161.8-140.3 131.2 3.3 2.3 54.5 25 25 A F E -C 13 0A 15 -12,-1.8 -12,-3.1 -2,-0.4 33,-0.1 -0.989 46.3 -85.8-145.2 151.8 6.1 2.0 51.9 26 26 A P E -C 12 0A 29 0, 0.0 2,-2.0 0, 0.0 32,-0.6 -0.270 43.2-117.8 -57.0 140.7 6.5 2.5 48.2 27 27 A S S S+ 0 0 3 -16,-2.5 2,-0.3 30,-0.1 -15,-0.1 -0.521 76.3 105.0 -84.6 73.0 5.4 -0.6 46.2 28 28 A R + 0 0 71 -2,-2.0 30,-2.3 40,-0.2 2,-0.3 -0.992 39.0 173.6-154.3 148.2 8.8 -1.3 44.6 29 29 A W E -GH 57 67B 23 38,-1.7 38,-3.3 -2,-0.3 2,-0.3 -0.968 9.8-160.7-151.6 161.7 11.6 -3.7 45.0 30 30 A A E -G 56 0B 13 26,-2.0 26,-2.1 -2,-0.3 36,-0.1 -0.984 28.2-107.7-148.8 141.3 14.9 -4.7 43.4 31 31 A V E -G 55 0B 82 34,-0.4 2,-0.4 -2,-0.3 24,-0.3 -0.382 33.5-166.2 -59.1 136.2 17.2 -7.7 43.5 32 32 A T E -G 54 0B 30 22,-2.0 22,-0.6 2,-0.1 -2,-0.0 -0.993 20.1-157.4-125.2 142.4 20.5 -7.3 45.4 33 33 A E + 0 0 188 -2,-0.4 22,-0.0 20,-0.1 -1,-0.0 0.252 47.9 140.3 -97.6 15.4 23.5 -9.6 45.3 34 34 A T - 0 0 45 1,-0.1 -2,-0.1 20,-0.0 11,-0.0 -0.139 53.6-144.3 -59.8 146.1 24.8 -8.4 48.7 35 35 A E S S+ 0 0 187 2,-0.0 -1,-0.1 3,-0.0 -3,-0.0 0.688 80.8 80.0 -81.2 -21.7 26.3 -10.9 51.2 36 36 A S S S- 0 0 55 1,-0.1 3,-0.1 95,-0.0 0, 0.0 -0.098 79.1-133.0 -75.4 176.3 24.7 -8.8 54.0 37 37 A W - 0 0 55 1,-0.4 8,-1.7 17,-0.0 96,-0.1 -0.028 52.1-122.8-116.8 26.0 21.1 -8.6 55.4 38 38 A G E -J 44 0C 25 6,-0.3 2,-0.5 92,-0.1 -1,-0.4 -0.262 45.0 -45.1 67.1-151.5 21.1 -4.8 55.3 39 39 A I E >> -J 43 0C 106 4,-1.7 4,-2.2 91,-0.1 3,-2.0 -0.962 52.8-125.0-128.9 113.8 20.4 -2.6 58.2 40 40 A G T 34 S+ 0 0 45 -2,-0.5 -2,-0.0 1,-0.3 91,-0.0 -0.290 96.1 12.7 -56.5 132.4 17.6 -3.2 60.7 41 41 A G T 34 S+ 0 0 87 1,-0.1 -1,-0.3 89,-0.0 0, 0.0 0.401 133.5 45.2 81.7 -0.2 15.3 -0.2 61.1 42 42 A K T <4 S- 0 0 128 -3,-2.0 -2,-0.2 18,-0.0 18,-0.2 0.579 126.0 -2.9-137.1 -59.7 16.7 1.6 58.0 43 43 A I E < S-J 39 0C 46 -4,-2.2 -4,-1.7 16,-0.1 -3,-0.1 -0.600 70.8-166.7-146.2 75.1 17.3 -0.5 54.8 44 44 A P E -J 38 0C 16 0, 0.0 2,-0.5 0, 0.0 13,-0.5 -0.388 9.9-148.8 -63.8 140.2 16.4 -4.2 55.5 45 45 A V - 0 0 3 -8,-1.7 2,-0.3 11,-0.1 11,-0.2 -0.978 24.4-170.7-106.6 125.3 17.5 -6.8 52.9 46 46 A L B -I 55 0B 0 9,-2.3 9,-2.4 -2,-0.5 2,-0.3 -0.782 16.5-165.1-113.3 159.5 15.0 -9.7 52.8 47 47 A S B -D 128 0A 0 81,-2.3 81,-2.6 -2,-0.3 3,-0.2 -0.988 14.1-171.1-137.8 141.1 14.7 -13.1 51.3 48 48 A T S S+ 0 0 42 -2,-0.3 78,-0.4 79,-0.2 6,-0.1 0.373 89.6 53.8-101.3 -0.8 11.7 -15.4 50.8 49 49 A D S > S- 0 0 65 4,-0.5 3,-0.9 79,-0.1 -1,-0.1 -0.087 120.2 -94.2-124.7 33.3 13.9 -18.4 49.6 50 50 A G T 3 S- 0 0 60 76,-0.4 4,-0.1 1,-0.2 77,-0.1 0.690 89.4 -44.2 67.5 21.4 16.5 -18.7 52.5 51 51 A G T 3 S+ 0 0 31 2,-0.5 -1,-0.2 77,-0.1 3,-0.1 0.497 104.4 118.1 99.0 10.4 19.1 -16.6 50.7 52 52 A Q S < S+ 0 0 166 -3,-0.9 2,-0.3 1,-0.3 -2,-0.1 0.933 94.3 5.7 -64.8 -43.9 19.0 -17.9 47.2 53 53 A T S S- 0 0 71 2,-0.0 -2,-0.5 -22,-0.0 -4,-0.5 -0.954 72.4-161.4-134.1 160.4 17.9 -14.4 46.3 54 54 A K E -G 32 0B 22 -22,-0.6 -22,-2.0 -2,-0.3 2,-0.3 -0.948 5.6-170.2-139.0 155.5 17.6 -11.1 48.2 55 55 A F E -GI 31 46B 7 -9,-2.4 -9,-2.3 -2,-0.3 2,-0.3 -0.977 18.2-142.4-146.5 157.9 15.8 -7.9 47.7 56 56 A I E -G 30 0B 31 -26,-2.1 -26,-2.0 -2,-0.3 2,-0.3 -0.881 28.7-170.2-112.7 149.6 15.5 -4.3 49.0 57 57 A Y E > +G 29 0B 14 -13,-0.5 3,-0.6 -2,-0.3 -28,-0.2 -0.883 37.6 12.0-141.8 160.2 12.0 -2.8 49.0 58 58 A G G > S+ 0 0 2 -30,-2.3 3,-1.6 -32,-0.6 -33,-0.1 -0.373 115.4 3.3 77.3-144.4 10.3 0.6 49.6 59 59 A K G 3 S+ 0 0 145 1,-0.3 -1,-0.2 -2,-0.1 -16,-0.1 0.828 133.1 45.3 -50.3 -45.0 12.2 4.0 49.8 60 60 A Y G < S+ 0 0 89 -3,-0.6 2,-0.8 -18,-0.2 -1,-0.3 0.472 81.9 105.7 -91.2 -4.6 15.7 2.6 49.1 61 61 A A < + 0 0 2 -3,-1.6 2,-0.2 -33,-0.2 -3,-0.0 -0.706 48.3 131.9 -71.3 109.9 14.8 0.4 46.2 62 62 A S + 0 0 98 -2,-0.8 2,-0.3 -32,-0.0 3,-0.2 -0.804 13.0 88.5-141.1-165.0 16.1 2.2 43.1 63 63 A G S S- 0 0 60 -2,-0.2 3,-0.3 1,-0.1 -2,-0.0 -0.694 87.5 -72.7 101.1-161.8 18.2 1.6 40.1 64 64 A N S S+ 0 0 67 -2,-0.3 -1,-0.1 1,-0.2 519,-0.0 0.271 119.8 67.6-131.3 11.5 16.7 0.3 36.9 65 65 A N S S+ 0 0 48 -3,-0.2 -34,-0.4 -34,-0.1 2,-0.2 -0.200 72.6 147.4-106.5 36.3 15.8 -3.2 37.5 66 66 A I - 0 0 34 -3,-0.3 2,-0.4 -36,-0.1 -36,-0.2 -0.530 37.8-147.1 -64.6 141.1 13.2 -1.9 39.9 67 67 A R B +H 29 0B 18 -38,-3.3 -38,-1.7 -2,-0.2 -2,-0.1 -0.895 20.1 174.6-115.9 132.6 10.0 -4.0 40.1 68 68 A V - 0 0 37 -2,-0.4 -40,-0.2 -40,-0.2 12,-0.1 -0.957 38.4 -95.8-135.4 151.5 6.5 -2.6 40.7 69 69 A P - 0 0 2 0, 0.0 3,-0.1 0, 0.0 -42,-0.0 -0.444 27.2-137.0 -64.5 144.3 3.0 -4.1 40.7 70 70 A Q S S- 0 0 43 1,-0.1 2,-0.2 4,-0.1 -60,-0.1 0.426 79.7 -9.2 -84.9 2.8 1.2 -3.6 37.4 71 71 A G S > S- 0 0 8 -63,-0.1 3,-0.7 3,-0.1 2,-0.2 -0.958 89.7 -62.7-178.7 174.9 -2.0 -2.7 39.2 72 72 A D T 3 S+ 0 0 27 -2,-0.2 -63,-0.2 1,-0.2 3,-0.1 -0.518 108.0 5.9 -74.8 144.1 -3.8 -2.5 42.6 73 73 A G T 3 S+ 0 0 1 -65,-2.4 2,-1.2 -2,-0.2 -1,-0.2 0.771 72.4 149.1 59.7 34.2 -4.6 -5.7 44.6 74 74 A R X + 0 0 99 -3,-0.7 3,-1.5 -66,-0.5 6,-0.4 -0.550 11.4 162.0 -92.3 68.1 -2.7 -8.1 42.4 75 75 A L T 3 + 0 0 1 -2,-1.2 -1,-0.2 1,-0.3 9,-0.1 0.627 68.8 52.0 -67.5 -19.4 -1.8 -10.4 45.3 76 76 A A T 3 S+ 0 0 37 -3,-0.2 -1,-0.3 36,-0.1 -2,-0.1 0.460 85.7 109.1 -95.7 -5.6 -1.0 -13.4 43.1 77 77 A S S <> S- 0 0 27 -3,-1.5 4,-1.0 1,-0.1 3,-0.3 -0.346 76.0-127.6 -69.2 155.0 1.4 -11.5 40.9 78 78 A K T 4 S+ 0 0 140 1,-0.2 -1,-0.1 2,-0.2 -3,-0.0 0.786 110.7 60.4 -71.6 -25.3 5.1 -12.2 41.1 79 79 A E T 4 S+ 0 0 23 1,-0.2 4,-0.4 2,-0.1 -1,-0.2 0.817 105.7 47.1 -69.4 -32.1 5.6 -8.5 41.5 80 80 A A T >> S+ 0 0 1 -6,-0.4 4,-2.2 -3,-0.3 3,-0.5 0.746 92.1 78.7 -77.1 -29.6 3.5 -8.4 44.7 81 81 A F H 3X S+ 0 0 62 -4,-1.0 4,-2.4 1,-0.3 5,-0.2 0.900 93.7 46.3 -60.4 -49.0 5.0 -11.4 46.5 82 82 A P H 3> S+ 0 0 13 0, 0.0 4,-2.4 0, 0.0 -1,-0.3 0.848 112.9 52.5 -58.1 -32.9 8.2 -9.6 47.8 83 83 A L H <> S+ 0 0 0 -3,-0.5 4,-2.2 -4,-0.4 -2,-0.2 0.849 107.3 51.4 -71.6 -32.9 6.0 -6.7 48.9 84 84 A I H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.936 111.9 47.8 -64.8 -45.8 3.7 -9.1 50.9 85 85 A A H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.934 111.9 48.4 -62.2 -43.7 6.8 -10.6 52.5 86 86 A A H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.873 110.2 53.5 -64.8 -36.7 8.1 -7.1 53.3 87 87 A A H X S+ 0 0 0 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.900 110.0 45.8 -63.3 -45.1 4.7 -6.2 54.7 88 88 A L H X>S+ 0 0 0 -4,-2.3 4,-0.6 2,-0.2 5,-0.5 0.917 113.0 51.1 -66.2 -40.0 4.7 -9.2 57.0 89 89 A W H ><5S+ 0 0 19 -4,-2.6 3,-1.3 1,-0.2 -2,-0.2 0.944 110.5 49.6 -55.9 -48.0 8.3 -8.4 58.0 90 90 A E H 3<5S+ 0 0 61 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.785 98.3 66.4 -66.8 -31.4 7.4 -4.8 58.8 91 91 A S H 3<5S- 0 0 7 -4,-1.7 -1,-0.3 -5,-0.1 -73,-0.2 0.734 101.1-137.7 -60.8 -23.2 4.4 -5.9 60.9 92 92 A G T <<5 0 0 51 -3,-1.3 -3,-0.1 -4,-0.6 -2,-0.1 0.984 360.0 360.0 59.6 61.5 6.9 -7.3 63.4 93 93 A I < 0 0 58 -5,-0.5 -1,-0.2 -4,-0.1 3,-0.1 -0.980 360.0 360.0-127.7 360.0 5.5 -10.7 64.4 94 ! 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 95 99 A P 0 0 117 0, 0.0 2,-0.4 0, 0.0 42,-0.2 0.000 360.0 360.0 360.0 95.3 5.9 -20.1 62.7 96 100 A V E - e 0 137A 46 40,-2.5 42,-2.2 -3,-0.1 2,-0.4 -0.768 360.0-127.5 -97.7 128.1 3.0 -17.7 63.4 97 101 A D E - e 0 138A 67 -2,-0.4 -95,-1.6 40,-0.2 2,-0.4 -0.576 36.0-171.3 -75.9 124.6 -0.6 -18.5 62.3 98 102 A L E -ae 2 139A 0 40,-2.9 42,-2.7 -2,-0.4 43,-1.0 -0.914 28.3-163.0-126.5 138.8 -2.1 -15.6 60.3 99 103 A V E -ae 3 141A 2 -97,-2.4 -95,-2.1 -2,-0.4 2,-0.6 -0.996 23.6-154.9-111.6 123.3 -5.4 -14.5 58.9 100 104 A I E -ae 4 142A 0 41,-2.7 43,-2.6 -2,-0.5 2,-0.6 -0.894 6.7-160.5-100.3 123.2 -4.9 -11.8 56.2 101 105 A G E +ae 5 143A 0 -97,-2.9 -95,-2.4 -2,-0.6 2,-0.2 -0.889 33.0 142.6 -90.5 125.0 -7.6 -9.3 55.4 102 106 A S E - e 0 144A 1 41,-3.2 43,-1.6 -2,-0.6 2,-0.3 -0.745 27.0-153.5-147.6-168.7 -7.0 -7.7 52.0 103 107 A G E - e 0 145A 0 -97,-0.4 -95,-0.3 41,-0.3 -28,-0.2 -0.951 7.1-160.5-164.4 176.3 -8.7 -6.4 48.9 104 108 A T E - e 0 146A 0 41,-1.1 43,-2.0 -2,-0.3 -31,-0.2 -0.959 46.0 -67.8-166.6 153.6 -8.7 -5.7 45.2 105 109 A P > - 0 0 23 0, 0.0 3,-1.0 0, 0.0 7,-0.2 -0.165 40.7-124.8 -54.9 142.9 -10.7 -3.5 42.7 106 110 A L G > S+ 0 0 38 41,-0.4 3,-1.8 1,-0.2 4,-0.3 0.852 101.6 74.6 -54.3 -39.0 -14.3 -4.5 42.1 107 111 A G G 3 S+ 0 0 78 1,-0.3 -1,-0.2 2,-0.1 3,-0.1 0.777 115.7 15.5 -47.4 -39.9 -13.6 -4.7 38.3 108 112 A T G <> S+ 0 0 67 -3,-1.0 4,-2.4 1,-0.1 5,-0.3 -0.012 90.6 134.1-125.3 27.3 -11.6 -8.0 38.5 109 113 A F H <> + 0 0 39 -3,-1.8 4,-2.7 1,-0.2 5,-0.2 0.880 67.6 42.7 -48.9 -61.6 -12.7 -9.0 41.9 110 114 A D H > S+ 0 0 131 -4,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.880 116.7 47.2 -61.9 -39.3 -13.6 -12.7 41.6 111 115 A L H > S+ 0 0 132 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.948 115.4 44.4 -63.0 -53.3 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S+ 0 0 8 -3,-1.5 2,-0.4 -12,-0.2 -1,-0.2 0.159 98.2 87.4-114.0 13.0 1.9 9.3 26.3 521 199 B S < + 0 0 19 -3,-1.2 2,-0.3 -4,-0.2 -14,-0.2 -0.920 52.4 145.5-117.1 138.8 5.5 10.1 25.5 522 200 B F E -C 506 0I 35 -16,-2.6 -16,-3.3 -2,-0.4 2,-0.3 -0.985 38.0-118.1-164.2 169.4 8.4 9.7 28.0 523 201 B S E -C 505 0I 59 -2,-0.3 2,-0.3 -18,-0.2 -18,-0.2 -0.884 18.4-158.4-119.7 144.6 12.1 8.8 28.6 524 202 B L E -C 504 0I 22 -20,-2.7 -20,-1.8 -2,-0.3 2,-0.5 -0.969 22.2-130.4-121.2 149.3 13.6 6.0 30.7 525 203 B Q S S+ 0 0 137 -2,-0.3 2,-0.4 -22,-0.2 -22,-0.2 -0.137 78.8 90.2 -94.2 42.0 17.1 5.8 32.2 526 204 B I + 0 0 14 -2,-0.5 -26,-0.3 -22,-0.1 2,-0.3 -0.980 43.0 132.5-135.3 146.1 17.8 2.3 30.9 527 205 B G >> - 0 0 0 -2,-0.4 3,-1.6 -26,-0.3 4,-0.8 -0.898 68.8 -48.2-163.2-162.0 19.3 0.9 27.7 528 206 B V H >> S+ 0 0 8 -28,-2.4 4,-2.4 1,-0.3 3,-0.9 0.792 120.4 69.6 -52.9 -36.8 21.7 -1.5 26.1 529 207 B G H 3> S+ 0 0 21 -28,-2.7 4,-1.9 1,-0.3 -1,-0.3 0.830 96.4 52.6 -53.3 -39.9 24.5 -0.3 28.5 530 208 B D H <> S+ 0 0 47 -3,-1.6 4,-1.7 -29,-0.3 -1,-0.3 0.795 108.9 49.5 -65.3 -32.0 22.7 -1.9 31.4 531 209 B A H - 0 0 66 0, 0.0 4,-2.1 0, 0.0 5,-0.1 -0.271 34.2-113.6 -56.1 150.9 36.5 -5.0 27.7 549 227 B F H > S+ 0 0 120 1,-0.2 4,-1.8 2,-0.2 3,-0.1 0.914 116.5 55.2 -54.9 -49.0 33.3 -3.1 27.3 550 228 B D H > S+ 0 0 126 1,-0.2 4,-1.5 2,-0.2 3,-0.2 0.911 109.4 46.0 -51.5 -47.6 33.5 -3.5 23.5 551 229 B L H > S+ 0 0 48 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.873 107.2 58.1 -68.3 -34.8 33.8 -7.3 23.7 552 230 B A H < S+ 0 0 1 -4,-2.1 4,-0.4 1,-0.2 -1,-0.2 0.875 105.9 50.9 -59.6 -36.1 30.9 -7.5 26.2 553 231 B Q H >< S+ 0 0 87 -4,-1.8 3,-1.1 -3,-0.2 4,-0.4 0.894 109.1 47.8 -70.1 -44.9 28.6 -5.8 23.7 554 232 B E H >X S+ 0 0 109 -4,-1.5 4,-2.1 1,-0.3 3,-1.4 0.850 105.3 63.2 -60.7 -35.6 29.4 -8.1 20.8 555 233 B A T 3< S+ 0 0 1 -4,-1.8 14,-2.5 1,-0.3 -1,-0.3 0.640 87.2 70.0 -67.9 -18.3 28.8 -10.9 23.2 556 234 B L T <4 S+ 0 0 3 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.2 0.789 113.9 27.3 -65.4 -28.5 25.2 -9.9 23.7 557 235 B S T <4 S+ 0 0 48 -3,-1.4 -2,-0.2 -4,-0.4 -1,-0.1 0.794 131.1 11.1-100.2 -42.3 24.5 -11.1 20.1 558 236 B H S < S- 0 0 121 -4,-2.1 11,-0.7 11,-0.2 -1,-0.3 -0.928 81.7 -92.8-138.1 157.3 27.1 -13.9 19.4 559 237 B P E -F 568 0J 57 0, 0.0 2,-0.3 0, 0.0 9,-0.2 -0.431 46.3-176.1 -71.2 150.8 29.7 -16.0 21.4 560 238 B V E -F 567 0J 11 7,-2.1 7,-2.1 -2,-0.1 2,-0.4 -0.843 22.0-108.5-138.7 174.6 33.2 -14.6 21.5 561 239 B X E +F 566 0J 119 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.938 31.4 166.4-117.1 133.7 36.7 -15.6 22.8 562 240 B F S S- 0 0 70 3,-2.0 3,-0.3 -2,-0.4 -15,-0.0 -0.989 74.5 -6.2-139.7 140.9 38.6 -14.1 25.8 563 241 B R S S- 0 0 83 -2,-0.3 -1,-0.1 1,-0.2 3,-0.1 0.919 129.9 -57.4 37.1 55.8 41.7 -15.6 27.5 564 242 B Q S S+ 0 0 107 1,-0.1 2,-0.3 -3,-0.1 -1,-0.2 0.902 116.0 103.9 45.7 56.2 41.2 -18.7 25.3 565 243 B K - 0 0 56 -3,-0.3 -3,-2.0 2,-0.0 2,-0.3 -0.898 69.5-119.0-160.5 137.8 37.7 -19.5 26.4 566 244 B Q E +F 561 0J 134 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.612 42.1 162.2 -81.3 134.0 34.2 -19.1 24.7 567 245 B V E +F 560 0J 30 -7,-2.1 -7,-2.1 -2,-0.3 2,-0.1 -0.949 33.7 20.4-148.0 159.3 31.8 -16.9 26.6 568 246 B G E +F 559 0J 11 -2,-0.3 4,-0.2 -9,-0.2 3,-0.2 -0.420 54.6 135.7 80.0-155.1 28.6 -14.9 26.0 569 247 B G S >> S- 0 0 2 -14,-2.5 4,-2.4 -11,-0.7 3,-0.7 -0.165 73.3 -61.5 89.6 171.4 26.1 -15.5 23.2 570 248 B P H 3> S+ 0 0 85 0, 0.0 4,-1.5 0, 0.0 -1,-0.1 0.737 126.4 62.8 -66.7 -27.9 22.3 -15.7 23.2 571 249 B E H 34 S+ 0 0 98 -3,-0.2 -2,-0.1 1,-0.2 -3,-0.0 0.884 118.3 30.2 -62.0 -35.9 21.9 -18.7 25.6 572 250 B V H <4 S+ 0 0 50 -3,-0.7 4,-0.4 -4,-0.2 -1,-0.2 0.823 122.4 45.8 -90.0 -41.4 23.6 -16.6 28.3 573 251 B S H X S+ 0 0 1 -4,-2.4 4,-2.6 -18,-0.2 3,-0.4 0.693 91.7 91.1 -80.9 -15.7 22.6 -13.0 27.4 574 252 B G H X S+ 0 0 23 -4,-1.5 4,-2.4 -5,-0.3 3,-0.2 0.899 86.7 42.5 -41.8 -67.9 19.0 -14.2 26.9 575 253 B P H > S+ 0 0 66 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.807 114.2 53.0 -52.6 -36.2 17.7 -13.6 30.5 576 254 B I H > S+ 0 0 17 -4,-0.4 4,-2.1 -3,-0.4 -2,-0.2 0.914 110.9 45.8 -67.7 -45.0 19.5 -10.3 30.7 577 255 B L H X S+ 0 0 14 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.849 110.7 54.6 -65.1 -37.8 17.9 -9.0 27.4 578 256 B E H X S+ 0 0 89 -4,-2.4 4,-2.3 -5,-0.3 -2,-0.2 0.892 106.9 50.9 -64.1 -42.5 14.5 -10.3 28.6 579 257 B D H X S+ 0 0 65 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.953 112.4 46.5 -54.7 -54.2 14.9 -8.2 31.9 580 258 B L H X S+ 0 0 8 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.930 113.8 46.7 -56.5 -52.6 15.7 -5.1 29.8 581 259 B A H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.899 111.6 52.6 -55.6 -44.5 12.8 -5.6 27.4 582 260 B N H X S+ 0 0 33 -4,-2.3 4,-3.0 1,-0.2 5,-0.2 0.903 105.4 52.9 -66.4 -40.9 10.3 -6.4 30.2 583 261 B R H X S+ 0 0 9 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.926 112.7 46.2 -55.8 -39.7 11.2 -3.2 32.2 584 262 B I H X S+ 0 0 0 -4,-1.7 4,-2.0 -5,-0.2 -2,-0.2 0.982 114.1 46.7 -68.1 -51.8 10.5 -1.2 29.0 585 263 B I H X S+ 0 0 2 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.890 111.8 51.2 -53.8 -46.9 7.2 -3.1 28.2 586 264 B E H X S+ 0 0 21 -4,-3.0 4,-2.3 1,-0.2 -1,-0.2 0.926 111.5 47.2 -62.8 -43.6 6.0 -2.7 31.9 587 265 B N H X S+ 0 0 48 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.2 0.832 111.2 51.3 -65.9 -34.8 6.7 1.1 31.8 588 266 B I H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 5,-0.3 0.945 112.7 45.8 -66.1 -51.3 4.9 1.5 28.4 589 267 B R H X S+ 0 0 93 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.896 111.9 52.6 -55.4 -43.7 1.9 -0.3 29.8 590 268 B L H < S+ 0 0 22 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.910 116.8 38.8 -56.6 -42.4 2.0 1.7 33.0 591 269 B N H < S+ 0 0 35 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.846 118.3 45.4 -81.7 -35.5 2.0 5.0 31.0 592 270 B L H >< S+ 0 0 1 -4,-2.6 3,-2.1 1,-0.2 -2,-0.2 0.867 76.1 169.3 -80.1 -36.6 -0.4 4.1 28.3 593 271 B R G >< S- 0 0 63 -4,-2.1 3,-1.5 1,-0.3 -1,-0.2 -0.366 76.0 -8.7 55.1-135.0 -3.0 2.5 30.5 594 272 B G G > S+ 0 0 22 1,-0.3 3,-1.7 2,-0.2 -1,-0.3 0.627 121.9 81.5 -65.5 -14.1 -6.2 1.9 28.3 595 273 B E G X S+ 0 0 45 -3,-2.1 3,-1.9 1,-0.3 4,-0.3 0.655 70.7 82.8 -67.6 -12.4 -4.7 3.9 25.4 596 274 B V G X S+ 0 0 31 -3,-1.5 3,-1.0 1,-0.3 -1,-0.3 0.784 81.3 63.8 -58.9 -27.7 -2.8 0.7 24.5 597 275 B D G < S+ 0 0 143 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.610 97.0 56.3 -71.4 -15.1 -6.0 -0.3 22.7 598 276 B R G < S+ 0 0 138 -3,-1.9 -105,-2.6 -4,-0.2 2,-0.4 0.459 80.8 113.6 -92.7 -4.4 -5.5 2.6 20.3 599 277 B V E < +b 493 0I 11 -3,-1.0 -105,-0.2 -4,-0.3 3,-0.1 -0.577 28.1 161.3 -76.1 124.5 -2.1 1.4 19.2 600 278 B T E + 0 0 46 -107,-2.8 2,-0.4 -2,-0.4 -106,-0.2 0.552 66.2 39.5-116.9 -17.0 -1.9 0.3 15.6 601 279 B S E -b 494 0I 14 -108,-1.6 -106,-2.7 2,-0.0 2,-0.5 -0.994 54.7-169.7-138.6 131.3 1.9 0.5 15.1 602 280 B L E -be 495 624I 0 21,-2.0 23,-2.7 -2,-0.4 -106,-0.2 -0.987 13.5-171.4-110.8 125.4 4.9 -0.4 17.4 603 281 B I E -b 496 0I 0 -108,-3.1 -106,-2.2 -2,-0.5 2,-0.5 -0.854 5.3-165.1-127.0 89.2 8.1 0.9 15.9 604 282 B P E +b 497 0I 7 0, 0.0 23,-0.4 0, 0.0 2,-0.2 -0.690 22.9 159.9 -78.3 121.3 11.4 -0.3 17.7 605 283 B V E +b 498 0I 2 -108,-2.7 -106,-2.2 -2,-0.5 4,-0.4 -0.713 24.7 68.7-129.4-179.2 14.4 1.8 16.6 606 284 B G S > S- 0 0 6 26,-2.2 3,-1.1 -108,-0.2 4,-0.4 0.132 93.6 -74.7 85.0 155.7 17.8 2.6 18.0 607 285 B G T > S+ 0 0 30 1,-0.2 3,-1.6 2,-0.2 4,-0.3 0.846 127.7 61.6 -50.3 -42.1 20.7 0.1 18.3 608 286 B G T >> S+ 0 0 2 -109,-2.1 3,-1.7 1,-0.3 4,-1.3 0.796 89.9 68.4 -57.4 -33.3 19.2 -1.7 21.2 609 287 B S H <> S+ 0 0 9 -3,-1.1 4,-1.9 -110,-0.5 -1,-0.3 0.659 84.8 70.7 -66.2 -15.6 16.2 -2.7 19.2 610 288 B N H <4 S+ 0 0 98 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.2 0.797 107.3 38.3 -65.2 -26.6 18.4 -5.1 17.1 611 289 B L H <4 S+ 0 0 47 -3,-1.7 -2,-0.2 -4,-0.3 -1,-0.2 0.800 137.1 11.3 -91.6 -36.3 18.6 -7.2 20.3 612 290 B I H >X S+ 0 0 3 -4,-1.3 3,-1.0 2,-0.1 4,-0.6 0.288 83.3 115.1-132.6 6.3 15.1 -7.0 21.7 613 291 B G G >< S+ 0 0 8 -4,-1.9 3,-1.5 1,-0.2 4,-0.2 0.859 77.2 56.5 -46.7 -47.0 12.7 -5.4 19.1 614 292 B D G >4 S+ 0 0 103 1,-0.3 3,-1.5 -5,-0.2 -1,-0.2 0.782 95.6 66.2 -62.4 -29.9 10.6 -8.4 18.6 615 293 B R G X4 S+ 0 0 87 -3,-1.0 3,-1.2 1,-0.3 -1,-0.3 0.778 86.7 70.8 -60.4 -28.2 9.8 -8.6 22.3 616 294 B F G X< S+ 0 0 0 -3,-1.5 3,-1.8 -4,-0.6 4,-0.5 0.692 75.4 84.1 -66.3 -15.4 7.9 -5.4 22.0 617 295 B E G X S+ 0 0 70 -3,-1.5 3,-1.1 1,-0.3 6,-0.3 0.790 76.4 68.6 -57.6 -32.0 5.1 -7.1 20.1 618 296 B E G < S+ 0 0 100 -3,-1.2 -1,-0.3 1,-0.3 -2,-0.1 0.726 84.3 70.4 -65.3 -20.7 3.4 -8.3 23.2 619 297 B I G < S- 0 0 9 -3,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.907 129.0 -3.8 -57.2 -43.1 2.5 -4.6 24.1 620 298 B A S X S- 0 0 11 -3,-1.1 3,-1.7 -4,-0.5 -1,-0.3 -0.646 86.0-134.6-154.4 90.8 0.0 -4.9 21.1 621 299 B P T 3 S+ 0 0 104 0, 0.0 -3,-0.1 0, 0.0 -4,-0.0 -0.162 85.8 19.0 -56.2 135.9 0.0 -8.1 19.1 622 300 B G T 3 S+ 0 0 69 1,-0.0 -4,-0.1 -21,-0.0 -5,-0.0 0.362 103.2 87.9 88.7 0.8 0.0 -7.8 15.3 623 301 B T < + 0 0 25 -3,-1.7 -21,-2.0 -6,-0.3 2,-0.1 0.441 51.0 127.5-108.4 -1.8 1.2 -4.2 15.2 624 302 B L B -e 602 0I 27 -23,-0.2 2,-0.6 -4,-0.2 -21,-0.2 -0.369 43.4-157.4 -65.9 129.1 5.0 -4.7 15.2 625 303 B V - 0 0 16 -23,-2.7 2,-0.7 -2,-0.1 -2,-0.1 -0.948 12.5-142.9-105.3 121.2 6.8 -2.9 12.4 626 304 B K - 0 0 151 -2,-0.6 2,-0.4 -23,-0.1 -23,-0.1 -0.803 11.5-159.2 -94.5 115.7 10.1 -4.4 11.7 627 305 B I - 0 0 22 -2,-0.7 5,-0.1 -23,-0.4 -14,-0.1 -0.749 28.4-107.1 -89.5 135.6 12.9 -2.0 10.8 628 306 B K >> - 0 0 112 -2,-0.4 3,-2.1 1,-0.1 4,-0.7 -0.340 28.6-119.8 -54.7 138.7 16.0 -3.3 8.9 629 307 B P G >4 S+ 0 0 76 0, 0.0 3,-1.0 0, 0.0 4,-0.4 0.848 114.1 58.2 -48.2 -39.3 19.0 -3.5 11.2 630 308 B E G 34 S+ 0 0 119 1,-0.2 4,-0.1 2,-0.1 -2,-0.1 0.609 108.7 45.6 -72.8 -13.3 20.8 -1.1 8.9 631 309 B D G <> S+ 0 0 9 -3,-2.1 4,-1.7 2,-0.1 3,-0.3 0.481 85.4 93.6-100.5 -9.2 18.1 1.5 9.4 632 310 B L T << S+ 0 0 13 -3,-1.0 -26,-2.2 -4,-0.7 4,-0.2 0.897 95.7 32.8 -55.0 -45.5 17.7 1.2 13.2 633 311 B Q T 4 S+ 0 0 79 -4,-0.4 4,-0.3 -27,-0.2 -1,-0.2 0.659 122.7 48.5 -84.3 -15.0 20.1 4.1 14.0 634 312 B F T > S+ 0 0 20 -3,-0.3 4,-2.5 1,-0.1 5,-0.3 0.542 77.5 96.8-102.3 -14.5 19.3 6.2 10.9 635 313 B A H X S+ 0 0 3 -4,-1.7 4,-2.2 1,-0.2 -155,-0.3 0.848 87.5 47.6 -49.7 -43.1 15.5 6.3 10.9 636 314 B N H > S+ 0 0 6 -4,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.952 112.5 48.0 -65.5 -46.7 15.3 9.6 12.7 637 315 B A H > S+ 0 0 0 -4,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.827 110.9 51.6 -63.9 -35.6 17.9 11.3 10.4 638 316 B L H X S+ 0 0 5 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.931 112.2 46.8 -64.8 -47.9 16.2 9.9 7.3 639 317 B G H X S+ 0 0 0 -4,-2.2 4,-2.7 -5,-0.3 -2,-0.2 0.913 110.7 51.3 -55.1 -48.7 12.9 11.4 8.6 640 318 B Y H X S+ 0 0 1 -4,-2.9 4,-1.9 2,-0.2 -2,-0.2 0.907 110.3 49.7 -57.6 -45.3 14.5 14.7 9.4 641 319 B R H X S+ 0 0 37 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.939 109.9 51.2 -58.4 -48.9 16.0 14.9 5.9 642 320 B D H X S+ 0 0 10 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.918 110.1 50.1 -55.7 -40.9 12.5 14.1 4.4 643 321 B A H X S+ 0 0 9 -4,-2.7 4,-0.7 1,-0.2 -1,-0.2 0.875 110.6 48.6 -69.6 -35.8 10.9 16.9 6.4 644 322 B A H >< S+ 0 0 0 -4,-1.9 3,-0.7 -5,-0.2 4,-0.3 0.909 110.5 51.7 -68.4 -39.0 13.5 19.3 5.3 645 323 B E H >< S+ 0 0 85 -4,-2.5 3,-1.1 1,-0.3 -2,-0.2 0.884 108.7 50.8 -65.9 -39.7 13.0 18.3 1.7 646 324 B R H 3< S+ 0 0 148 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.647 97.6 69.1 -73.8 -13.2 9.2 18.8 2.0 647 325 B S T << 0 0 45 -4,-0.7 -1,-0.2 -3,-0.7 -2,-0.2 0.628 360.0 360.0 -78.6 -11.1 9.7 22.3 3.4 648 326 B X < 0 0 117 -3,-1.1 -1,-0.1 -4,-0.3 -3,-0.0 -0.453 360.0 360.0 -68.4 360.0 11.0 23.6 0.0