==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 18-AUG-11 3TH6 . COMPND 2 MOLECULE: TRIOSEPHOSPHATE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RHIPICEPHALUS MICROPLUS; . AUTHOR R.ARREOLA,A.RODRIGUEZ-ROMERO,J.MORAES,A.GOMEZ-PUYOU,R.PEREZ- . 485 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18972.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 350 72.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 73 15.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.8 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 . 0 0.0 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 . 38 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 151 31.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.5 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 1 4 7 2 0 0 0 0 2 4 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 2 5 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 3 A A 0 0 155 0, 0.0 2,-0.3 0, 0.0 197,-0.0 0.000 360.0 360.0 360.0 118.4 -26.2 8.7 -30.9 2 4 A R - 0 0 71 198,-0.1 2,-0.5 1,-0.0 198,-0.1 -0.769 360.0-107.1 -99.2 143.0 -24.8 6.8 -27.9 3 5 A R - 0 0 123 -2,-0.3 32,-0.1 196,-0.2 220,-0.0 -0.579 37.7-114.8 -74.1 121.1 -27.2 5.0 -25.5 4 6 A F - 0 0 22 -2,-0.5 32,-2.4 1,-0.1 2,-0.4 -0.274 34.6-162.9 -54.8 132.6 -27.4 6.8 -22.2 5 7 A C E -ab 36 224A 0 218,-2.5 220,-1.2 30,-0.2 2,-0.5 -0.974 10.1-171.4-130.7 120.8 -26.0 4.7 -19.4 6 8 A V E -ab 37 225A 0 30,-2.1 32,-2.3 -2,-0.4 2,-0.4 -0.941 4.9-170.5-115.6 120.1 -26.6 5.2 -15.7 7 9 A G E -ab 38 226A 1 218,-3.2 220,-3.0 -2,-0.5 2,-0.5 -0.842 10.2-152.1-109.0 145.4 -24.6 3.3 -13.1 8 10 A G E -ab 39 227A 1 30,-2.3 32,-3.8 -2,-0.4 2,-0.8 -0.955 6.4-166.6-119.7 112.6 -25.4 3.2 -9.3 9 11 A N E -a 40 0A 2 218,-3.1 222,-0.2 -2,-0.5 32,-0.1 -0.848 7.4-177.7-102.5 101.4 -22.4 2.5 -7.1 10 12 A W - 0 0 2 30,-1.8 -1,-0.2 -2,-0.8 31,-0.1 0.682 22.3-170.9 -68.9 -19.8 -23.7 1.7 -3.6 11 13 A K - 0 0 33 29,-0.5 2,-1.8 1,-0.2 -1,-0.2 -0.283 62.8 -11.5 59.1-143.4 -20.1 1.5 -2.3 12 14 A M B S+I 316 0B 0 304,-1.8 304,-1.4 -3,-0.1 2,-0.3 -0.413 111.1 105.6 -88.3 66.0 -19.8 0.1 1.2 13 15 A H + 0 0 51 -2,-1.8 2,-0.1 302,-0.2 302,-0.1 -0.991 40.2 81.2-140.3 145.6 -23.5 0.4 2.0 14 16 A G - 0 0 12 -2,-0.3 2,-0.3 27,-0.1 3,-0.0 -0.195 30.8-166.4 130.2 140.4 -26.3 -2.2 2.3 15 17 A S > - 0 0 36 -2,-0.1 4,-2.5 30,-0.0 5,-0.3 -0.845 49.1 -98.1-139.1 168.8 -28.0 -4.8 4.3 16 18 A K H > S+ 0 0 48 -2,-0.3 4,-1.1 1,-0.2 5,-0.1 0.859 126.7 46.6 -62.1 -31.9 -30.6 -7.4 3.2 17 19 A N H > S+ 0 0 120 2,-0.2 4,-1.6 1,-0.1 -1,-0.2 0.961 114.1 43.2 -73.1 -54.5 -33.3 -5.0 4.4 18 20 A S H > S+ 0 0 41 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.892 114.8 50.3 -59.5 -43.8 -32.0 -1.8 2.9 19 21 A I H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.846 104.7 58.2 -64.8 -34.9 -31.1 -3.4 -0.5 20 22 A R H X S+ 0 0 107 -4,-1.1 4,-2.2 -5,-0.3 -1,-0.2 0.919 105.5 50.8 -62.4 -42.1 -34.6 -5.0 -0.7 21 23 A D H X S+ 0 0 104 -4,-1.6 4,-2.2 1,-0.2 -2,-0.2 0.924 109.0 49.2 -60.8 -48.5 -36.2 -1.5 -0.5 22 24 A I H X S+ 0 0 23 -4,-1.6 4,-2.3 1,-0.2 -1,-0.2 0.896 111.8 48.9 -60.0 -41.7 -34.0 -0.0 -3.3 23 25 A C H X S+ 0 0 0 -4,-2.0 4,-3.3 1,-0.2 -1,-0.2 0.913 110.7 50.7 -65.1 -42.3 -34.8 -3.0 -5.6 24 26 A N H X S+ 0 0 80 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.864 109.3 51.9 -62.9 -36.7 -38.5 -2.7 -4.9 25 27 A T H < S+ 0 0 58 -4,-2.2 4,-0.4 2,-0.2 -2,-0.2 0.943 114.6 41.6 -63.5 -48.3 -38.3 1.0 -5.7 26 28 A L H >< S+ 0 0 5 -4,-2.3 3,-0.6 2,-0.2 -2,-0.2 0.885 115.6 50.6 -65.8 -40.7 -36.6 0.3 -9.0 27 29 A K H 3< S+ 0 0 113 -4,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.867 118.1 38.9 -65.9 -37.5 -38.9 -2.6 -9.7 28 30 A G T 3< S+ 0 0 70 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.366 100.9 99.1 -96.1 6.7 -41.9 -0.4 -9.0 29 31 A A S < S- 0 0 33 -3,-0.6 2,-0.8 -4,-0.4 -3,-0.1 -0.357 77.8-116.2 -88.8 170.2 -40.6 2.7 -10.6 30 32 A S - 0 0 100 -2,-0.1 2,-0.4 2,-0.0 -3,-0.1 -0.848 41.3-172.1-109.1 94.2 -41.3 4.1 -14.1 31 33 A L - 0 0 30 -2,-0.8 207,-0.1 -5,-0.2 206,-0.0 -0.734 31.9-111.8 -96.7 135.5 -37.9 4.0 -15.8 32 34 A D > - 0 0 12 -2,-0.4 3,-1.6 1,-0.2 -1,-0.1 -0.460 27.2-149.2 -60.2 111.5 -37.1 5.4 -19.2 33 35 A P T 3 S+ 0 0 105 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.668 90.0 70.2 -60.9 -17.9 -36.5 2.2 -21.3 34 36 A N T 3 S+ 0 0 121 2,-0.1 2,-0.2 -31,-0.0 -2,-0.1 0.789 85.0 87.4 -69.9 -27.2 -34.0 3.9 -23.5 35 37 A V S < S- 0 0 7 -3,-1.6 2,-0.7 -32,-0.1 -30,-0.2 -0.506 72.7-140.4 -80.2 139.6 -31.6 4.0 -20.6 36 38 A E E -a 5 0A 41 -32,-2.4 -30,-2.1 -2,-0.2 2,-0.4 -0.891 28.3-162.1 -96.8 113.8 -29.2 1.2 -19.8 37 39 A V E +ac 6 57A 7 19,-0.8 21,-3.0 -2,-0.7 2,-0.3 -0.835 14.2 176.1-106.7 141.0 -29.1 0.9 -16.0 38 40 A I E -ac 7 58A 2 -32,-2.3 -30,-2.3 -2,-0.4 2,-0.4 -0.988 10.7-163.6-139.3 143.3 -26.6 -0.8 -13.7 39 41 A V E -ac 8 59A 0 19,-2.2 21,-2.7 -2,-0.3 2,-0.6 -0.998 9.2-151.0-131.2 135.5 -26.1 -1.1 -9.9 40 42 A A E +ac 9 60A 2 -32,-3.8 -30,-1.8 -2,-0.4 -29,-0.5 -0.913 21.9 179.7-108.7 111.8 -23.0 -2.1 -8.1 41 43 A C E - c 0 61A 0 19,-1.6 21,-0.5 -2,-0.6 5,-0.1 -0.650 38.8 -79.8-109.7 166.3 -23.5 -3.8 -4.8 42 44 A P > - 0 0 2 0, 0.0 3,-2.6 0, 0.0 4,-0.4 -0.387 46.7-113.4 -62.8 138.1 -21.2 -5.3 -2.2 43 45 A A G > S+ 0 0 16 1,-0.3 3,-1.1 2,-0.2 4,-0.3 0.759 111.9 66.4 -43.7 -35.9 -20.0 -8.8 -3.1 44 46 A P G 3 S+ 0 0 8 0, 0.0 249,-0.3 0, 0.0 -1,-0.3 0.767 106.1 43.0 -62.1 -21.9 -21.9 -10.5 -0.3 45 47 A Y G <> S+ 0 0 2 -3,-2.6 4,-3.2 1,-0.1 5,-0.3 0.368 78.3 106.5-106.9 5.5 -25.2 -9.5 -1.8 46 48 A L H <> S+ 0 0 0 -3,-1.1 4,-2.3 -4,-0.4 5,-0.2 0.933 86.1 41.3 -47.6 -62.1 -24.7 -10.3 -5.5 47 49 A D H > S+ 0 0 72 243,-0.3 4,-1.3 -4,-0.3 -1,-0.2 0.874 117.4 51.3 -55.6 -39.7 -26.8 -13.4 -5.7 48 50 A Y H > S+ 0 0 47 -4,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.902 109.6 46.9 -66.5 -45.0 -29.4 -11.7 -3.5 49 51 A C H >X S+ 0 0 0 -4,-3.2 4,-2.0 1,-0.2 3,-0.9 0.888 106.1 60.2 -65.9 -39.3 -29.7 -8.5 -5.6 50 52 A R H 3< S+ 0 0 53 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.907 103.7 49.4 -56.4 -43.9 -30.0 -10.4 -8.8 51 53 A S H 3< S+ 0 0 88 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.671 118.2 39.5 -71.6 -15.7 -33.2 -12.2 -7.7 52 54 A L H << S+ 0 0 24 -3,-0.9 -1,-0.2 -4,-0.7 -2,-0.2 0.599 95.1 94.4-107.2 -15.7 -34.8 -8.9 -6.6 53 55 A L S < S- 0 0 7 -4,-2.0 -29,-0.1 -5,-0.1 -30,-0.1 -0.541 77.5-118.5 -80.6 140.1 -33.7 -6.7 -9.4 54 56 A P > - 0 0 10 0, 0.0 3,-2.2 0, 0.0 -1,-0.1 -0.402 31.2-106.8 -72.3 156.2 -36.0 -6.1 -12.4 55 57 A P T 3 S+ 0 0 133 0, 0.0 -2,-0.0 0, 0.0 -28,-0.0 0.642 116.0 70.6 -60.2 -10.9 -34.6 -7.3 -15.8 56 58 A S T 3 S+ 0 0 67 1,-0.1 -19,-0.8 -20,-0.1 2,-0.5 0.600 91.2 65.1 -81.4 -11.3 -34.2 -3.6 -16.7 57 59 A V E < S-c 37 0A 0 -3,-2.2 -19,-0.2 -21,-0.1 2,-0.2 -0.963 75.6-147.7-115.6 122.6 -31.3 -3.1 -14.2 58 60 A A E -c 38 0A 17 -21,-3.0 -19,-2.2 -2,-0.5 2,-0.4 -0.574 18.1-120.2 -87.2 153.0 -28.0 -5.0 -14.7 59 61 A L E -c 39 0A 0 26,-0.4 28,-2.9 -2,-0.2 29,-1.9 -0.777 29.7-176.0 -99.3 134.5 -25.9 -6.2 -11.8 60 62 A A E -cd 40 88A 0 -21,-2.7 -19,-1.6 -2,-0.4 2,-0.3 -0.911 20.2-136.6-128.6 154.1 -22.3 -5.1 -11.2 61 63 A A E -cd 41 89A 1 27,-1.9 29,-2.1 -2,-0.3 3,-0.1 -0.702 20.3-131.3 -99.8 158.3 -19.5 -5.9 -8.7 62 64 A Q S S- 0 0 7 -21,-0.5 2,-0.3 -2,-0.3 31,-0.2 0.497 80.0 -15.8 -90.5 -2.8 -17.5 -3.1 -7.3 63 65 A N - 0 0 15 28,-0.1 2,-0.3 257,-0.1 -1,-0.2 -0.957 57.8-171.8 176.6 167.0 -14.1 -4.7 -8.0 64 66 A C - 0 0 0 -2,-0.3 13,-0.2 26,-0.1 2,-0.1 -0.972 25.9-104.7-166.7 166.8 -12.4 -8.0 -8.9 65 67 A Y - 0 0 14 11,-2.7 -2,-0.0 -2,-0.3 7,-0.0 -0.443 32.0-109.0 -97.7 177.1 -8.9 -9.5 -9.2 66 68 A K S S+ 0 0 61 -2,-0.1 2,-0.3 11,-0.1 11,-0.1 0.314 90.5 56.4 -90.1 7.7 -6.9 -10.4 -12.4 67 69 A V S S- 0 0 60 9,-0.1 -2,-0.2 1,-0.1 3,-0.1 -0.931 73.3-128.0-136.7 160.0 -7.1 -14.2 -12.3 68 70 A E S S+ 0 0 123 -2,-0.3 2,-0.3 1,-0.2 12,-0.2 0.892 91.3 5.1 -72.6 -41.4 -9.8 -16.9 -12.2 69 71 A Q S S+ 0 0 106 190,-0.1 2,-0.3 7,-0.1 190,-0.2 -0.928 80.0 110.0-140.5 160.9 -8.4 -18.8 -9.2 70 72 A G B -J 258 0C 12 188,-1.4 2,-1.7 -2,-0.3 188,-1.4 -0.907 67.6 -60.0 157.1 174.2 -5.5 -18.4 -6.7 71 73 A A S S+ 0 0 46 -2,-0.3 2,-0.3 186,-0.2 186,-0.1 -0.531 76.7 125.0 -87.6 68.3 -3.9 -17.8 -3.4 72 74 A F > - 0 0 50 -2,-1.7 3,-2.2 3,-0.1 -1,-0.1 -0.713 50.4-152.6-133.0 81.0 -5.3 -14.3 -3.1 73 75 A T T 3 S+ 0 0 0 -2,-0.3 3,-0.1 1,-0.3 -2,-0.1 -0.260 80.7 17.6 -53.8 130.8 -7.2 -14.1 0.2 74 76 A G T 3 S+ 0 0 29 1,-0.3 -1,-0.3 235,-0.1 2,-0.3 0.291 100.1 115.1 88.8 -10.8 -10.0 -11.6 0.1 75 77 A E < - 0 0 10 -3,-2.2 2,-0.3 -5,-0.1 -1,-0.3 -0.652 46.4-160.1 -96.8 151.8 -10.1 -11.3 -3.7 76 78 A I - 0 0 18 -2,-0.3 -11,-2.7 -3,-0.1 -9,-0.1 -0.878 12.3-138.5-122.7 157.2 -13.0 -12.4 -5.9 77 79 A S >> - 0 0 3 -2,-0.3 4,-2.1 -13,-0.2 3,-0.7 -0.788 26.9-108.5-118.7 162.0 -12.8 -13.1 -9.7 78 80 A P H 3> S+ 0 0 0 0, 0.0 4,-2.9 0, 0.0 5,-0.3 0.887 119.1 60.5 -49.9 -40.6 -15.0 -12.4 -12.7 79 81 A G H 3> S+ 0 0 28 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.887 105.9 43.8 -55.2 -45.5 -15.9 -16.1 -12.7 80 82 A M H <> S+ 0 0 5 -3,-0.7 4,-1.0 2,-0.2 -1,-0.2 0.882 112.5 54.3 -67.7 -39.9 -17.5 -15.8 -9.2 81 83 A I H ><>S+ 0 0 0 -4,-2.1 5,-2.5 2,-0.2 3,-0.6 0.940 112.6 41.6 -59.0 -50.1 -19.2 -12.6 -10.1 82 84 A K H ><5S+ 0 0 90 -4,-2.9 3,-2.2 1,-0.2 -1,-0.2 0.893 108.3 60.6 -65.3 -39.3 -20.8 -14.2 -13.2 83 85 A D H 3<5S+ 0 0 59 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.754 107.3 48.6 -59.8 -22.2 -21.6 -17.3 -11.2 84 86 A C T <<5S- 0 0 0 -4,-1.0 -1,-0.3 -3,-0.6 -34,-0.3 0.174 130.1 -90.0-105.2 17.2 -23.7 -15.0 -8.9 85 87 A G T < 5S+ 0 0 29 -3,-2.2 -26,-0.4 1,-0.3 -3,-0.2 0.389 78.6 141.9 95.0 -4.5 -25.6 -13.2 -11.6 86 88 A G < + 0 0 3 -5,-2.5 -1,-0.3 -6,-0.2 -26,-0.2 -0.411 24.2 173.8 -74.8 147.3 -23.3 -10.3 -12.2 87 89 A Q + 0 0 98 -28,-2.9 33,-3.0 1,-0.1 2,-0.3 0.518 64.2 44.7-124.2 -16.3 -22.7 -8.9 -15.7 88 90 A W E -de 60 120A 6 -29,-1.9 -27,-1.9 31,-0.2 2,-0.3 -0.843 55.4-163.4-129.1 164.6 -20.5 -5.9 -15.0 89 91 A V E -de 61 121A 0 31,-1.5 33,-2.1 -2,-0.3 2,-0.5 -0.982 18.4-135.8-149.2 133.6 -17.6 -4.9 -12.8 90 92 A I E - e 0 122A 2 -29,-2.1 2,-0.4 -2,-0.3 33,-0.2 -0.792 31.2-175.6 -88.7 131.5 -16.4 -1.4 -11.9 91 93 A L E + e 0 123A 0 31,-2.7 33,-2.9 -2,-0.5 -28,-0.1 -0.985 54.4 16.5-134.4 143.9 -12.6 -1.1 -12.2 92 94 A G S S+ 0 0 0 -2,-0.4 -1,-0.1 31,-0.2 31,-0.1 0.699 75.0 175.3 76.1 20.2 -10.1 1.5 -11.5 93 95 A H >> - 0 0 4 -31,-0.2 4,-2.4 1,-0.1 3,-0.9 -0.280 43.2-112.8 -60.2 144.5 -12.4 3.5 -9.2 94 96 A S H 3>>S+ 0 0 12 1,-0.3 4,-2.9 2,-0.2 5,-0.5 0.796 116.4 54.6 -47.5 -37.6 -10.8 6.5 -7.5 95 97 A E H 3>>S+ 0 0 22 2,-0.2 5,-1.6 3,-0.2 4,-1.4 0.888 109.7 45.7 -67.8 -38.2 -11.1 4.8 -4.0 96 98 A R H <45S+ 0 0 9 -3,-0.9 6,-2.3 3,-0.2 -2,-0.2 0.911 116.9 46.5 -68.6 -42.2 -9.3 1.7 -5.2 97 99 A R H <5S+ 0 0 20 -4,-2.4 -2,-0.2 4,-0.3 -3,-0.2 0.950 128.5 20.9 -64.8 -51.8 -6.6 3.8 -6.9 98 100 A H H <5S+ 0 0 77 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.897 130.1 38.3 -90.1 -44.0 -6.0 6.3 -4.0 99 101 A V T < - 0 0 87 -2,-0.5 4,-2.8 1,-0.1 5,-0.3 -0.558 20.6-102.4-100.3 164.6 -2.0 1.1 -9.9 104 106 A D H > S+ 0 0 41 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.803 117.6 48.1 -49.3 -44.1 -2.5 1.5 -13.7 105 107 A V H > S+ 0 0 81 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.907 113.9 47.8 -68.9 -39.4 -0.8 -1.8 -14.7 106 108 A L H > S+ 0 0 26 -3,-0.3 4,-1.9 2,-0.2 -2,-0.2 0.936 113.0 47.6 -65.2 -45.9 -2.8 -3.8 -12.2 107 109 A I H X S+ 0 0 3 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.877 109.9 55.4 -62.3 -36.0 -6.0 -2.1 -13.2 108 110 A G H X S+ 0 0 1 -4,-2.0 4,-2.0 -5,-0.3 -1,-0.2 0.900 107.9 47.0 -64.0 -41.0 -5.1 -2.8 -16.8 109 111 A E H X S+ 0 0 76 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.835 111.1 52.1 -70.5 -32.5 -4.6 -6.6 -16.1 110 112 A K H X S+ 0 0 3 -4,-1.9 4,-3.0 2,-0.2 5,-0.2 0.926 108.8 50.6 -68.0 -44.8 -8.0 -6.7 -14.3 111 113 A I H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.926 111.1 48.1 -59.7 -45.4 -9.8 -5.1 -17.2 112 114 A K H X S+ 0 0 99 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.912 115.0 44.9 -63.6 -41.3 -8.3 -7.5 -19.7 113 115 A H H X S+ 0 0 18 -4,-2.0 4,-1.2 2,-0.2 -2,-0.2 0.894 111.2 52.3 -70.3 -40.3 -9.2 -10.5 -17.5 114 116 A A H <>S+ 0 0 0 -4,-3.0 5,-2.3 2,-0.2 -1,-0.2 0.917 111.7 48.2 -61.7 -42.1 -12.7 -9.3 -16.7 115 117 A L H ><5S+ 0 0 22 -4,-2.1 3,-2.2 -5,-0.2 -2,-0.2 0.950 109.8 48.4 -64.9 -51.2 -13.4 -8.8 -20.5 116 118 A E H 3<5S+ 0 0 145 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.738 106.7 61.2 -62.2 -19.7 -12.1 -12.2 -21.6 117 119 A S T 3<5S- 0 0 29 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.498 124.6-103.1 -83.7 -5.2 -14.2 -13.7 -18.9 118 120 A G T < 5S+ 0 0 43 -3,-2.2 2,-0.3 1,-0.3 -3,-0.2 0.681 77.4 132.9 92.3 20.3 -17.4 -12.3 -20.4 119 121 A L < - 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0 0 33 -5,-1.3 4,-2.0 1,-0.1 5,-0.1 -0.970 25.8-120.2-169.0 157.4 -0.8 -11.2 30.9 438 198 B A H > S+ 0 0 53 -2,-0.3 4,-1.7 2,-0.2 5,-0.1 0.892 114.2 56.6 -67.4 -40.1 -0.1 -14.7 32.0 439 199 B D H > S+ 0 0 108 1,-0.2 4,-1.2 2,-0.2 3,-0.3 0.946 110.5 42.2 -55.5 -55.2 -3.8 -15.5 31.9 440 200 B V H > S+ 0 0 27 1,-0.2 4,-1.8 2,-0.2 3,-0.3 0.885 110.7 55.5 -62.3 -42.4 -4.2 -14.4 28.3 441 201 B A H < S+ 0 0 3 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.818 107.8 51.9 -62.0 -29.9 -1.0 -16.2 27.1 442 202 B S H < S+ 0 0 70 -4,-1.7 -1,-0.2 -3,-0.3 -2,-0.2 0.815 116.4 36.3 -75.9 -32.6 -2.3 -19.4 28.6 443 203 B K H < S+ 0 0 153 -4,-1.2 2,-0.3 -3,-0.3 -194,-0.2 0.581 88.3 104.9 -99.3 -13.6 -5.7 -19.4 26.9 444 204 B V < - 0 0 3 -4,-1.8 2,-0.3 -5,-0.1 -39,-0.1 -0.543 65.3-133.6 -76.6 129.0 -5.0 -17.9 23.4 445 205 B R - 0 0 28 -41,-0.5 -39,-2.5 -2,-0.3 2,-0.6 -0.646 15.4-163.1 -80.7 134.7 -4.9 -20.4 20.5 446 206 B I E -q 406 0D 0 -2,-0.3 21,-2.7 -41,-0.2 22,-0.4 -0.945 11.1-158.6-121.0 106.1 -1.9 -20.1 18.2 447 207 B Q E -q 407 0D 0 -41,-3.2 -39,-2.8 -2,-0.6 2,-0.7 -0.574 19.3-120.9 -84.2 147.7 -2.6 -21.8 14.9 448 208 B Y E -qr 408 469D 9 20,-2.9 22,-1.6 -2,-0.2 -39,-0.2 -0.795 25.7-174.7 -89.1 114.7 0.1 -23.0 12.5 449 209 B G + 0 0 13 -41,-3.2 -1,-0.1 -2,-0.7 -40,-0.1 0.121 49.4 103.5 -97.7 20.6 -0.5 -21.2 9.2 450 210 B G S S- 0 0 13 1,-0.2 2,-0.6 -42,-0.1 20,-0.2 -0.022 92.1 -48.6 -84.4-164.2 2.2 -23.0 7.3 451 211 B S - 0 0 97 -38,-0.1 2,-0.4 -41,-0.1 -1,-0.2 -0.589 65.3-176.1 -73.7 113.8 1.8 -25.8 4.8 452 212 B V + 0 0 10 -2,-0.6 22,-0.3 18,-0.1 2,-0.3 -0.944 10.5 155.8-117.4 132.1 -0.5 -28.4 6.5 453 213 B N >> - 0 0 55 -2,-0.4 4,-1.6 18,-0.1 3,-1.2 -0.894 58.2 -90.8-143.5 172.1 -1.5 -31.7 5.0 454 214 B A T 34 S+ 0 0 46 -2,-0.3 4,-0.4 1,-0.2 -1,-0.0 0.806 120.3 61.3 -56.3 -29.6 -2.7 -35.2 6.1 455 215 B G T 34 S+ 0 0 73 1,-0.2 -1,-0.2 2,-0.1 4,-0.1 0.745 117.3 21.1 -72.7 -25.4 1.0 -36.2 6.3 456 216 B N T <> S+ 0 0 43 -3,-1.2 4,-2.4 2,-0.1 5,-0.3 0.439 93.2 96.2-123.1 -2.0 2.2 -33.8 9.0 457 217 B C H X S+ 0 0 3 -4,-1.6 4,-2.3 1,-0.2 5,-0.1 0.856 84.5 51.3 -60.3 -39.1 -0.9 -32.6 10.9 458 218 B K H > S+ 0 0 102 -4,-0.4 4,-1.2 2,-0.2 -1,-0.2 0.901 113.2 44.5 -67.2 -40.1 -0.5 -35.1 13.7 459 219 B E H > S+ 0 0 94 2,-0.2 4,-0.8 1,-0.2 3,-0.4 0.933 115.3 46.5 -69.4 -47.2 3.1 -34.2 14.4 460 220 B L H >< S+ 0 0 4 -4,-2.4 3,-0.8 1,-0.2 -2,-0.2 0.910 111.8 53.3 -60.8 -42.0 2.6 -30.4 14.2 461 221 B G H 3< S+ 0 0 6 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.769 99.0 61.7 -65.4 -27.9 -0.5 -30.6 16.4 462 222 B R H 3< S+ 0 0 168 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.759 76.9 110.2 -71.0 -24.7 1.3 -32.5 19.2 463 223 B K S X< S- 0 0 31 -3,-0.8 3,-1.9 -4,-0.8 -44,-0.0 -0.295 76.5-128.5 -53.2 127.0 3.7 -29.5 19.6 464 224 B P T 3 S+ 0 0 91 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.774 104.5 41.1 -50.1 -33.7 2.8 -27.9 23.0 465 225 B D T 3 S+ 0 0 27 -20,-0.0 2,-0.7 2,-0.0 -19,-0.1 0.314 92.9 91.3-102.7 9.8 2.4 -24.4 21.6 466 226 B I < + 0 0 4 -3,-1.9 -19,-0.2 -6,-0.2 3,-0.1 -0.917 46.7 176.4-105.5 112.8 0.6 -25.2 18.4 467 227 B D - 0 0 12 -21,-2.7 -216,-2.7 -2,-0.7 2,-0.3 0.161 58.1 -49.3-104.5 19.8 -3.1 -25.1 19.0 468 228 B G E -l 251 0D 0 -22,-0.4 -20,-2.9 -218,-0.2 2,-0.3 -0.974 61.9 -80.4 149.6-162.7 -4.4 -25.8 15.5 469 229 B F E -lr 252 448D 0 -218,-1.1 -216,-3.0 -2,-0.3 2,-0.5 -0.936 4.2-147.6-142.0 161.8 -4.1 -24.8 11.9 470 230 B L E -l 253 0D 9 -22,-1.6 -216,-0.2 -2,-0.3 2,-0.2 -0.912 39.2-160.2-127.4 92.6 -5.1 -22.3 9.2 471 231 B V E -l 254 0D 1 -218,-3.0 -216,-3.4 -2,-0.5 -20,-0.1 -0.534 15.6-177.8 -83.6 146.4 -5.2 -24.6 6.2 472 232 B G > + 0 0 20 -20,-0.2 3,-2.1 -2,-0.2 4,-0.3 0.559 68.8 6.7-105.5-107.4 -5.0 -23.4 2.6 473 233 B G G > S+ 0 0 46 1,-0.3 3,-1.3 2,-0.2 4,-0.1 0.801 126.1 57.6 -51.1 -37.1 -5.3 -25.6 -0.5 474 234 B A G > S+ 0 0 9 -22,-0.3 3,-1.4 1,-0.3 6,-0.5 0.669 88.7 74.6 -70.6 -16.8 -6.1 -28.7 1.5 475 235 B S G < S+ 0 0 0 -3,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.621 93.5 55.8 -71.8 -8.2 -9.1 -27.1 3.0 476 236 B L G < S+ 0 0 48 -3,-1.3 -1,-0.3 -4,-0.3 -2,-0.2 0.496 103.3 69.1 -97.1 -7.8 -10.8 -27.5 -0.4 477 237 B K S X S- 0 0 118 -3,-1.4 3,-2.0 -4,-0.1 4,-0.3 -0.624 93.3-107.2-111.5 168.3 -10.1 -31.3 -0.4 478 238 B P T >> S+ 0 0 90 0, 0.0 3,-1.7 0, 0.0 4,-0.6 0.751 112.8 77.2 -61.8 -24.3 -11.5 -34.4 1.5 479 239 B E H 3> S+ 0 0 49 1,-0.3 4,-1.7 2,-0.2 3,-0.3 0.713 75.6 75.6 -59.0 -21.8 -8.1 -34.3 3.2 480 240 B F H <> S+ 0 0 3 -3,-2.0 4,-1.9 -6,-0.5 -1,-0.3 0.837 88.7 58.7 -61.3 -32.6 -9.4 -31.4 5.3 481 241 B V H <> S+ 0 0 13 -3,-1.7 4,-1.9 -4,-0.3 -1,-0.2 0.906 105.4 47.7 -64.2 -41.9 -11.4 -33.9 7.4 482 242 B Q H < S+ 0 0 103 -4,-0.6 -1,-0.2 -3,-0.3 -2,-0.2 0.863 110.2 53.0 -66.7 -35.8 -8.2 -35.8 8.4 483 243 B I H >< S+ 0 0 0 -4,-1.7 3,-1.2 1,-0.2 -1,-0.2 0.857 106.9 51.6 -68.6 -34.5 -6.6 -32.5 9.3 484 244 B I H >< S+ 0 0 0 -4,-1.9 3,-0.5 1,-0.3 -1,-0.2 0.906 109.8 50.7 -66.9 -39.4 -9.5 -31.6 11.5 485 245 B N G >< S+ 0 0 24 -4,-1.9 3,-2.1 1,-0.2 -1,-0.3 0.153 74.3 123.5 -84.9 21.2 -9.1 -35.0 13.2 486 246 B A G < S+ 0 0 3 -3,-1.2 -1,-0.2 1,-0.3 -2,-0.1 0.806 74.2 45.4 -50.9 -37.9 -5.4 -34.5 13.8 487 247 B M G < 0 0 74 -3,-0.5 -1,-0.3 -4,-0.1 -2,-0.1 0.337 360.0 360.0 -93.3 6.4 -5.6 -35.0 17.5 488 248 B Q < 0 0 125 -3,-2.1 -210,-0.0 -210,-0.0 -3,-0.0 -0.607 360.0 360.0 -81.7 360.0 -7.8 -38.1 17.5