==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 10-JUN-08 2VVQ . COMPND 2 MOLECULE: RIBOSE-5-PHOSPHATE ISOMERASE B; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR E.KOWALINSKI,A.K.ROOS,S.MARIANO,L.SALMON,S.L.MOWBRAY . 783 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32030.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 551 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 105 13.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 36 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 319 40.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.3 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 0 0 5 4 0 1 0 10 4 0 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 5 5 10 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 . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 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 G 0 0 103 0, 0.0 60,-0.1 0, 0.0 59,-0.0 0.000 360.0 360.0 360.0 167.2 21.5 0.1 -14.4 2 4 A M - 0 0 56 27,-0.1 27,-3.2 26,-0.1 2,-0.4 0.602 360.0-174.3-168.2 165.3 22.9 -0.2 -11.9 3 5 A R E -a 29 0A 101 25,-0.2 59,-2.1 57,-0.1 2,-0.4 -0.678 27.6-171.8 -80.4 130.4 25.8 0.1 -9.4 4 6 A V E -ab 30 62A 0 25,-2.1 27,-3.4 -2,-0.4 2,-0.5 -0.988 12.6-147.4-127.4 117.7 25.1 -1.6 -6.0 5 7 A Y E -ab 31 63A 18 57,-2.6 59,-3.0 -2,-0.4 2,-0.4 -0.757 16.3-162.9 -86.9 125.9 27.5 -1.1 -3.1 6 8 A L E +ab 32 64A 0 25,-2.9 27,-3.7 -2,-0.5 28,-0.4 -0.917 13.8 171.6-114.6 134.9 27.7 -4.1 -0.7 7 9 A G E + b 0 65A 0 57,-1.9 59,-2.5 -2,-0.4 2,-0.3 -0.992 8.9 159.6-134.1 140.7 29.1 -4.2 2.8 8 10 A A E - b 0 66A 0 26,-2.2 59,-0.2 -2,-0.3 2,-0.1 -0.990 30.2-135.9-153.9 152.3 28.9 -7.1 5.3 9 11 A D >> - 0 0 8 57,-1.7 3,-1.1 -2,-0.3 4,-0.6 -0.353 54.9 -81.4 -89.1-174.8 30.6 -8.4 8.4 10 12 A H T 34 S+ 0 0 21 29,-0.4 4,-0.5 1,-0.2 3,-0.3 0.776 129.4 60.8 -58.4 -31.7 31.3 -12.1 8.8 11 13 A A T 34 S+ 0 0 18 1,-0.2 -1,-0.2 2,-0.1 56,-0.2 0.734 116.8 30.3 -71.8 -24.5 27.7 -12.8 9.9 12 14 A G T <> S+ 0 0 0 -3,-1.1 4,-2.7 54,-0.5 -1,-0.2 0.330 94.8 101.8-111.6 5.8 26.4 -11.5 6.5 13 15 A Y H X S+ 0 0 32 -4,-0.6 4,-2.3 -3,-0.3 5,-0.2 0.895 80.7 44.3 -59.0 -52.7 29.5 -12.5 4.4 14 16 A E H > S+ 0 0 131 -4,-0.5 4,-1.7 2,-0.2 -1,-0.2 0.906 116.0 48.5 -65.6 -40.7 28.2 -15.7 2.8 15 17 A L H > S+ 0 0 22 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.922 108.7 55.2 -63.2 -43.4 24.8 -14.1 1.9 16 18 A K H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.926 107.0 48.9 -53.4 -46.9 26.7 -11.0 0.5 17 19 A Q H X S+ 0 0 54 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.902 112.4 49.5 -64.3 -35.3 28.7 -13.2 -1.9 18 20 A R H X S+ 0 0 104 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.891 110.8 49.3 -67.4 -40.7 25.5 -14.9 -3.0 19 21 A I H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.891 108.0 54.0 -66.2 -41.0 23.8 -11.5 -3.5 20 22 A I H X S+ 0 0 16 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.929 110.4 46.6 -57.9 -47.6 26.8 -10.3 -5.6 21 23 A E H X S+ 0 0 90 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.938 113.1 49.8 -61.1 -46.2 26.5 -13.3 -7.9 22 24 A H H X S+ 0 0 25 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.880 109.8 50.5 -58.8 -41.8 22.7 -12.8 -8.2 23 25 A L H <>S+ 0 0 0 -4,-2.6 5,-3.0 2,-0.2 -1,-0.2 0.858 108.6 51.9 -69.0 -36.5 23.1 -9.1 -9.0 24 26 A K H ><5S+ 0 0 123 -4,-2.3 3,-1.9 1,-0.2 -2,-0.2 0.972 110.7 48.5 -58.6 -52.7 25.7 -9.9 -11.8 25 27 A Q H 3<5S+ 0 0 129 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.750 109.6 53.1 -58.6 -29.7 23.2 -12.4 -13.3 26 28 A T T 3<5S- 0 0 62 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.289 124.9 -99.9 -93.8 12.7 20.4 -9.8 -13.1 27 29 A G T < 5S+ 0 0 56 -3,-1.9 -3,-0.2 1,-0.3 2,-0.2 0.653 80.0 125.1 86.6 18.4 22.4 -7.2 -15.0 28 30 A H < - 0 0 34 -5,-3.0 -1,-0.3 -6,-0.1 -25,-0.2 -0.552 61.1-121.9-103.9 169.4 23.7 -5.0 -12.2 29 31 A E E -a 3 0A 109 -27,-3.2 -25,-2.1 -2,-0.2 2,-0.2 -0.808 28.3-163.1-112.8 88.0 27.2 -3.9 -11.1 30 32 A P E -a 4 0A 21 0, 0.0 2,-0.5 0, 0.0 -25,-0.2 -0.521 0.8-159.9 -72.2 137.7 27.8 -5.1 -7.6 31 33 A I E -a 5 0A 28 -27,-3.4 -25,-2.9 -2,-0.2 2,-0.7 -0.973 11.0-141.8-121.7 116.4 30.7 -3.3 -5.8 32 34 A D E +a 6 0A 45 -2,-0.5 -25,-0.2 -27,-0.2 3,-0.1 -0.650 21.5 177.8 -87.3 112.0 32.1 -5.2 -2.8 33 35 A C - 0 0 11 -27,-3.7 -26,-0.2 -2,-0.7 3,-0.2 0.499 54.6-106.4 -84.9 -5.8 33.1 -2.8 -0.0 34 36 A G S S+ 0 0 1 -28,-0.4 -26,-2.2 1,-0.4 -1,-0.3 -0.280 85.7 152.1 105.7 166.0 34.1 -5.8 2.2 35 37 A A - 0 0 5 -28,-0.3 -1,-0.4 2,-0.2 -2,-0.1 0.391 49.4-176.6 -65.2 136.7 34.5 -8.0 4.1 36 38 A L + 0 0 121 -3,-0.2 2,-0.3 277,-0.2 -2,-0.1 0.694 68.5 21.8 -80.6 -18.7 36.3 -9.6 1.2 37 39 A R S S- 0 0 205 2,-0.0 2,-0.5 0, 0.0 -2,-0.2 -0.917 97.5 -86.0-138.6 163.0 36.9 -12.8 3.1 38 40 A Y + 0 0 123 -2,-0.3 2,-0.4 -25,-0.0 3,-0.1 -0.630 45.6 169.9 -71.3 118.1 35.3 -14.6 6.1 39 41 A D > - 0 0 82 -2,-0.5 3,-2.2 1,-0.1 -29,-0.4 -0.898 23.0-155.8-130.8 105.5 36.8 -13.2 9.3 40 42 A A T 3 S+ 0 0 43 -2,-0.4 -1,-0.1 1,-0.3 -29,-0.1 0.688 92.0 46.8 -52.0 -27.5 34.8 -14.5 12.3 41 43 A D T 3 S+ 0 0 103 -31,-0.1 -1,-0.3 2,-0.1 -3,-0.0 0.447 83.1 129.0 -98.7 -1.0 35.9 -11.6 14.5 42 44 A D < - 0 0 12 -3,-2.2 2,-0.5 1,-0.1 -32,-0.2 -0.075 54.4-123.0 -71.2 160.8 35.4 -8.7 12.1 43 45 A D > - 0 0 23 1,-0.1 4,-0.5 -34,-0.1 3,-0.4 -0.888 8.0-147.2-113.5 121.5 33.5 -5.5 12.9 44 46 A Y H >> S+ 0 0 9 -2,-0.5 4,-1.7 1,-0.2 3,-0.6 0.782 79.3 75.5 -61.7 -38.0 30.6 -4.3 10.9 45 47 A P H 3> S+ 0 0 0 0, 0.0 4,-3.1 0, 0.0 3,-0.4 0.875 92.0 50.9 -48.8 -51.1 30.8 -0.5 11.1 46 48 A A H 3> S+ 0 0 11 -3,-0.4 4,-1.9 1,-0.2 -2,-0.1 0.864 112.4 47.0 -55.4 -42.2 33.7 0.2 8.7 47 49 A F H < S+ 0 0 4 -4,-2.1 3,-0.9 -5,-0.2 6,-0.4 0.928 111.7 46.6 -66.2 -48.3 26.2 5.0 -2.3 56 58 A V H 3< S+ 0 0 53 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.880 114.3 49.4 -63.8 -36.4 25.2 8.6 -1.2 57 59 A A H 3< S+ 0 0 78 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.593 101.0 71.5 -74.5 -16.2 28.1 10.0 -3.2 58 60 A D S X< S- 0 0 23 -3,-0.9 3,-2.0 -4,-0.6 -1,-0.1 -0.878 84.4-133.8-112.7 100.5 27.2 8.0 -6.4 59 61 A P T 3 S+ 0 0 113 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.249 87.6 11.5 -59.6 132.0 24.0 9.3 -8.1 60 62 A G T 3 S+ 0 0 61 1,-0.3 2,-0.2 -4,-0.1 -57,-0.1 0.435 100.4 121.5 81.5 1.9 21.6 6.6 -9.0 61 63 A S < - 0 0 8 -3,-2.0 -1,-0.3 -6,-0.4 2,-0.3 -0.497 46.0-152.4 -90.2 163.9 23.4 3.9 -7.1 62 64 A L E -b 4 0A 9 -59,-2.1 -57,-2.6 -2,-0.2 2,-0.3 -0.840 5.3-147.6-128.2 170.2 22.0 1.7 -4.3 63 65 A G E -bc 5 105A 0 41,-2.5 43,-1.5 -2,-0.3 2,-0.4 -0.982 6.6-163.6-141.3 149.0 23.6 -0.1 -1.4 64 66 A I E -bc 6 106A 0 -59,-3.0 -57,-1.9 -2,-0.3 2,-0.4 -0.983 7.7-169.8-137.3 124.0 23.0 -3.3 0.6 65 67 A V E -bc 7 107A 0 41,-2.7 43,-2.0 -2,-0.4 2,-0.4 -0.946 8.5-163.8-119.2 134.8 24.5 -4.0 4.0 66 68 A L E +bc 8 108A 0 -59,-2.5 -57,-1.7 -2,-0.4 -54,-0.5 -0.942 22.4 136.4-127.7 141.0 24.5 -7.3 5.8 67 69 A G E - c 0 109A 0 41,-1.5 43,-3.6 -2,-0.4 44,-0.4 -0.683 69.7 -64.4-145.8-157.7 25.0 -8.8 9.3 68 70 A G S S+ 0 0 6 41,-0.2 43,-2.5 -2,-0.2 44,-0.4 0.980 134.0 1.1 -61.6 -61.7 23.2 -11.4 11.5 69 71 A S S S- 0 0 13 40,-0.2 40,-0.4 41,-0.1 -1,-0.1 0.597 96.3-124.5 -94.2 -23.5 20.0 -9.4 11.8 70 72 A G S > S+ 0 0 0 38,-0.2 4,-1.8 17,-0.1 5,-0.2 0.309 82.6 110.2 90.3 -8.2 21.1 -6.5 9.6 71 73 A N H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.926 72.5 46.9 -75.2 -45.4 20.4 -4.0 12.5 72 74 A G H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.873 114.0 54.2 -58.1 -31.8 23.9 -2.9 13.5 73 75 A E H > S+ 0 0 7 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.860 108.3 43.9 -73.9 -43.5 24.6 -2.4 9.8 74 76 A Q H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 11,-0.2 0.851 113.0 54.6 -67.8 -36.1 21.6 -0.1 9.0 75 77 A I H X S+ 0 0 2 -4,-2.2 4,-0.9 2,-0.2 -2,-0.2 0.955 111.6 43.6 -60.6 -49.9 22.4 1.8 12.2 76 78 A A H >< S+ 0 0 0 -4,-2.3 3,-0.9 1,-0.2 4,-0.5 0.928 114.0 50.5 -60.3 -46.4 26.0 2.3 11.0 77 79 A A H >< S+ 0 0 0 -4,-2.3 3,-1.5 1,-0.2 -1,-0.2 0.892 106.0 56.9 -61.0 -38.2 24.8 3.2 7.5 78 80 A N H 3< S+ 0 0 0 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.683 93.8 66.5 -70.3 -17.4 22.3 5.7 8.9 79 81 A K T << S+ 0 0 8 -4,-0.9 -1,-0.3 -3,-0.9 -2,-0.2 0.701 80.3 96.9 -72.6 -15.6 25.1 7.6 10.7 80 82 A V S X S- 0 0 5 -3,-1.5 3,-2.2 -4,-0.5 224,-0.0 -0.584 91.4-106.8 -74.8 125.4 26.5 8.6 7.2 81 83 A P T 3 S+ 0 0 71 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.288 102.6 11.7 -54.8 133.1 25.2 12.1 6.3 82 84 A G T 3 S+ 0 0 25 1,-0.3 2,-0.2 -4,-0.1 -4,-0.1 0.281 97.9 127.2 83.6 -11.9 22.5 11.9 3.6 83 85 A A < - 0 0 0 -3,-2.2 2,-0.4 -6,-0.2 -1,-0.3 -0.580 38.6-170.3 -82.1 142.3 22.1 8.1 3.9 84 86 A R + 0 0 35 -2,-0.2 21,-1.7 18,-0.1 20,-0.8 -0.944 11.3 179.6-129.4 106.0 18.7 6.5 4.5 85 87 A C E -d 105 0A 0 -2,-0.4 21,-0.2 -11,-0.2 2,-0.1 -0.928 5.5-168.6-116.5 109.7 19.0 2.8 5.3 86 88 A A E -d 106 0A 0 19,-1.9 21,-2.5 -2,-0.6 2,-0.6 -0.455 26.5-118.3 -81.8 162.0 15.9 0.7 6.0 87 89 A L E -d 107 0A 1 19,-0.2 2,-0.6 -2,-0.1 21,-0.2 -0.933 29.2-158.5 -98.6 116.4 15.9 -2.8 7.4 88 90 A A + 0 0 1 19,-2.6 21,-0.4 -2,-0.6 3,-0.1 -0.884 29.1 155.6-100.9 117.4 14.4 -5.0 4.7 89 91 A W + 0 0 48 -2,-0.6 2,-0.3 1,-0.1 -1,-0.1 0.270 68.7 20.4-119.8 6.1 13.0 -8.3 6.1 90 92 A S S > S- 0 0 26 1,-0.1 4,-2.2 31,-0.1 5,-0.2 -0.967 84.2 -99.3-162.2 168.7 10.4 -8.9 3.4 91 93 A V H > S+ 0 0 78 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.901 121.5 52.6 -61.8 -40.9 9.5 -8.1 -0.2 92 94 A Q H > S+ 0 0 106 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.903 109.9 46.3 -60.7 -45.3 7.0 -5.5 1.1 93 95 A T H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.863 111.5 51.7 -73.7 -33.3 9.5 -3.7 3.4 94 96 A A H X S+ 0 0 0 -4,-2.2 4,-1.3 2,-0.2 -1,-0.2 0.914 113.8 45.6 -60.6 -44.1 12.1 -3.6 0.6 95 97 A A H X S+ 0 0 22 -4,-2.4 4,-3.0 1,-0.2 3,-0.2 0.930 113.1 47.3 -66.4 -48.7 9.6 -2.1 -1.8 96 98 A L H X>S+ 0 0 33 -4,-2.8 4,-3.2 1,-0.2 5,-1.3 0.862 104.1 63.4 -62.8 -35.2 8.2 0.5 0.7 97 99 A A H <5S+ 0 0 0 -4,-1.9 6,-2.4 -5,-0.2 4,-0.4 0.910 113.8 33.8 -52.4 -48.7 11.8 1.5 1.7 98 100 A R H X5S+ 0 0 32 -4,-1.3 4,-1.0 4,-0.3 33,-0.3 0.946 122.4 46.6 -69.2 -51.3 12.3 2.6 -1.9 99 101 A E H <5S+ 0 0 78 -4,-3.0 32,-1.4 31,-0.2 34,-0.4 0.874 129.9 15.8 -66.6 -44.5 8.7 3.9 -2.5 100 102 A H T <5S+ 0 0 40 -4,-3.2 -3,-0.2 -5,-0.2 -1,-0.2 0.833 135.9 32.4 -98.8 -44.9 8.1 5.9 0.7 101 103 A N T 4> -c 67 0A 2 -40,-0.4 3,-1.4 -2,-0.4 4,-0.5 -0.801 9.0-160.6 -85.2 114.8 20.0 -10.2 8.2 110 112 A G T 34 S+ 0 0 25 -43,-3.6 -42,-0.2 -2,-0.7 3,-0.2 0.698 94.2 50.3 -62.6 -21.3 22.0 -13.2 6.9 111 113 A R T 34 S+ 0 0 148 -43,-2.5 -1,-0.2 -44,-0.4 -42,-0.1 0.497 103.5 61.6 -94.0 -1.8 20.7 -15.3 9.8 112 114 A M T <4 S+ 0 0 27 -3,-1.4 2,-0.3 -44,-0.4 -2,-0.2 0.570 99.5 37.6-108.3 -14.7 17.0 -14.4 9.3 113 115 A H S < S- 0 0 35 -4,-0.5 2,-0.1 -3,-0.2 3,-0.0 -0.892 74.1-108.4-136.8 159.4 16.1 -15.7 5.8 114 116 A T > - 0 0 79 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.476 46.0-107.6 -71.5 162.2 16.6 -18.5 3.3 115 117 A V H > S+ 0 0 67 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.930 123.2 54.0 -56.8 -46.0 18.8 -17.5 0.3 116 118 A A H > S+ 0 0 77 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.894 110.0 46.5 -55.4 -44.5 15.6 -17.5 -1.8 117 119 A E H > S+ 0 0 101 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.946 113.1 49.6 -62.9 -47.0 13.9 -15.2 0.6 118 120 A A H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.882 110.1 49.9 -60.5 -40.6 16.9 -12.9 0.8 119 121 A L H X S+ 0 0 15 -4,-3.0 4,-2.6 2,-0.2 -1,-0.2 0.875 108.1 53.2 -70.3 -36.5 17.2 -12.7 -3.0 120 122 A A H X S+ 0 0 37 -4,-1.8 4,-2.2 -5,-0.2 -1,-0.2 0.875 108.6 51.0 -57.6 -44.1 13.5 -11.8 -3.4 121 123 A I H X S+ 0 0 3 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.946 110.7 48.2 -56.0 -52.6 14.1 -9.0 -0.9 122 124 A V H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.911 110.4 52.1 -54.3 -45.9 17.1 -7.8 -3.0 123 125 A D H X S+ 0 0 59 -4,-2.6 4,-1.3 1,-0.2 -1,-0.2 0.908 109.9 48.0 -61.7 -45.0 15.0 -8.0 -6.2 124 126 A A H X S+ 0 0 8 -4,-2.2 4,-1.8 1,-0.2 3,-0.3 0.923 112.4 50.7 -59.5 -43.8 12.2 -5.9 -4.7 125 127 A F H < S+ 0 0 0 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.934 114.3 41.0 -61.9 -48.2 14.8 -3.4 -3.5 126 128 A V H < S+ 0 0 16 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.625 121.5 41.3 -81.5 -10.8 16.6 -2.9 -6.8 127 129 A T H < S+ 0 0 100 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.594 89.3 95.1-110.1 -16.4 13.4 -2.8 -9.0 128 130 A T S < S- 0 0 27 -4,-1.8 2,-0.1 -5,-0.2 3,-0.0 -0.676 70.3-133.8 -83.6 122.6 11.0 -0.8 -6.9 129 131 A P - 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0 0 76 -2,-0.3 4,-2.1 1,-0.1 5,-0.1 -0.455 45.0-107.4 -70.4 164.4 -1.0 -8.2 14.9 272 117 B V H > S+ 0 0 49 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.945 122.4 53.8 -60.0 -48.0 -1.3 -6.4 18.2 273 118 B A H > S+ 0 0 76 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.891 110.5 46.6 -52.1 -45.1 -0.3 -9.7 20.0 274 119 B E H > S+ 0 0 101 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.897 112.2 50.7 -64.7 -41.2 2.8 -9.9 17.8 275 120 B A H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.924 110.0 48.3 -65.0 -47.6 3.7 -6.2 18.4 276 121 B L H X S+ 0 0 33 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.854 109.2 53.8 -62.9 -36.9 3.3 -6.5 22.2 277 122 B A H X S+ 0 0 36 -4,-1.8 4,-2.1 -5,-0.3 -1,-0.2 0.894 109.0 49.2 -61.0 -42.1 5.5 -9.6 22.2 278 123 B I H X S+ 0 0 3 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.950 111.9 49.3 -61.3 -46.6 8.2 -7.6 20.3 279 124 B V H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.904 109.2 51.6 -59.7 -43.8 7.8 -4.8 22.9 280 125 B D H X S+ 0 0 61 -4,-2.7 4,-1.3 1,-0.2 5,-0.2 0.916 109.6 49.1 -60.8 -45.2 8.2 -7.2 25.8 281 126 B A H X S+ 0 0 10 -4,-2.1 4,-2.1 1,-0.2 3,-0.4 0.929 111.9 50.5 -60.0 -43.7 11.4 -8.7 24.4 282 127 B F H < S+ 0 0 0 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.912 112.7 43.6 -62.5 -44.5 12.8 -5.2 23.9 283 128 B V H < S+ 0 0 10 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.636 121.7 38.4 -81.3 -11.6 12.1 -4.0 27.4 284 129 B T H < S+ 0 0 95 -4,-1.3 -2,-0.2 -3,-0.4 -1,-0.2 0.643 89.0 95.5-111.4 -17.1 13.3 -7.1 29.2 285 130 B T < - 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0 0 6 -3,-2.3 2,-0.4 -6,-0.2 -1,-0.3 -0.615 38.3-170.3 -86.4 141.1 67.0 -13.9 27.3 715 86 E R - 0 0 53 -2,-0.3 21,-1.8 18,-0.1 20,-0.8 -0.952 10.9-179.4-127.3 107.5 68.6 -10.7 28.8 716 87 E C E -t 736 0E 9 -2,-0.4 21,-0.3 -11,-0.2 2,-0.1 -0.928 5.4-167.9-116.7 110.9 66.0 -7.9 29.0 717 88 E A E -t 737 0E 22 19,-2.2 21,-2.7 -2,-0.6 2,-0.6 -0.484 26.3-119.4 -82.1 158.3 67.0 -4.5 30.4 718 89 E L E -t 738 0E 48 19,-0.2 2,-0.7 -2,-0.1 21,-0.2 -0.947 29.8-158.8 -93.7 116.5 64.6 -1.7 31.4 719 90 E A + 0 0 1 19,-2.7 21,-0.4 -2,-0.6 3,-0.1 -0.876 29.8 154.8-101.8 113.8 65.5 1.2 29.2 720 91 E W + 0 0 163 -2,-0.7 2,-0.3 1,-0.1 -1,-0.1 0.271 68.0 22.9-116.7 8.1 64.3 4.5 30.6 721 92 E S S > S- 0 0 26 1,-0.1 4,-2.2 31,-0.1 5,-0.2 -0.967 84.0-102.2-162.2 161.4 66.8 6.8 28.9 722 93 E V H > S+ 0 0 77 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 0.898 122.7 53.6 -55.3 -42.1 69.2 6.9 25.9 723 94 E Q H > S+ 0 0 132 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.898 109.4 45.0 -61.8 -46.6 72.0 6.1 28.3 724 95 E T H > S+ 0 0 28 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.873 112.4 52.5 -68.6 -35.8 70.3 3.0 29.8 725 96 E A H X S+ 0 0 0 -4,-2.2 4,-1.1 2,-0.2 -2,-0.2 0.906 113.6 44.4 -60.8 -42.5 69.4 1.7 26.3 726 97 E A H >X S+ 0 0 15 -4,-2.1 4,-2.8 2,-0.2 3,-0.5 0.939 113.1 48.7 -69.4 -49.3 73.0 2.1 25.2 727 98 E L H 3X>S+ 0 0 58 -4,-2.8 4,-2.8 1,-0.2 5,-1.3 0.858 103.2 63.2 -60.9 -35.6 74.5 0.5 28.4 728 99 E A H 3<5S+ 0 0 2 -4,-2.2 6,-2.7 3,-0.2 -1,-0.2 0.886 114.2 33.1 -56.8 -41.1 72.0 -2.4 28.1 729 100 E R H -s 698 0E 1 -40,-0.5 3,-1.4 -2,-0.4 4,-0.5 -0.785 9.4-161.0 -83.3 112.0 57.2 2.0 29.9 741 112 E G T 3 S+ 0 0 24 -43,-3.5 3,-0.3 -2,-0.7 -42,-0.2 0.731 93.7 52.3 -58.5 -26.4 54.5 3.6 27.7 742 113 E R T 3 S+ 0 0 162 -43,-2.3 -1,-0.2 -44,-0.4 -42,-0.1 0.471 103.3 61.2 -86.4 0.0 53.3 5.7 30.7 743 114 E M S < S+ 0 0 108 -3,-1.4 2,-0.3 -44,-0.4 -2,-0.2 0.593 98.9 39.4-107.4 -14.5 56.8 7.1 31.4 744 115 E H S S- 0 0 42 -4,-0.5 2,-0.1 -3,-0.3 -1,-0.1 -0.942 72.5-110.5-139.8 154.0 57.9 9.0 28.3 745 116 E T > - 0 0 74 -2,-0.3 4,-2.2 1,-0.1 5,-0.1 -0.349 47.0-106.8 -67.6 164.6 56.9 11.3 25.5 746 117 E V H > S+ 0 0 47 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.917 122.8 52.4 -64.6 -42.2 56.9 9.6 22.1 747 118 E A H > S+ 0 0 74 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.910 109.7 49.9 -57.3 -43.1 60.0 11.5 21.1 748 119 E E H > S+ 0 0 99 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.916 111.6 48.1 -61.8 -46.4 61.7 10.3 24.3 749 120 E A H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.907 110.8 50.3 -61.3 -44.8 60.7 6.7 23.6 750 121 E L H X S+ 0 0 26 -4,-2.7 4,-3.0 2,-0.2 -1,-0.2 0.878 107.1 54.3 -65.1 -37.2 61.9 6.8 20.0 751 122 E A H X S+ 0 0 36 -4,-2.1 4,-2.3 -5,-0.2 -1,-0.2 0.916 109.7 48.8 -55.5 -44.9 65.3 8.2 21.2 752 123 E I H X S+ 0 0 4 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.944 111.6 48.5 -62.2 -50.3 65.5 5.2 23.5 753 124 E V H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 5,-0.3 0.930 110.6 51.1 -55.7 -48.7 64.6 2.8 20.7 754 125 E D H X S+ 0 0 60 -4,-3.0 4,-1.6 1,-0.2 -1,-0.2 0.913 110.7 48.5 -54.1 -46.4 67.2 4.4 18.4 755 126 E A H X S+ 0 0 8 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.921 113.2 48.7 -63.1 -40.8 69.9 4.1 21.1 756 127 E F H < S+ 0 0 0 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.908 114.6 41.6 -68.1 -45.1 69.0 0.4 21.6 757 128 E V H < S+ 0 0 12 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.685 122.0 41.2 -79.4 -16.8 68.9 -0.7 18.0 758 129 E T H < S+ 0 0 99 -4,-1.6 -2,-0.2 -5,-0.3 -1,-0.2 0.653 89.9 94.1-103.3 -19.7 72.1 1.3 17.0 759 130 E T S < S- 0 0 20 -4,-2.0 2,-0.1 -5,-0.2 3,-0.0 -0.615 70.5-134.8 -79.6 121.9 74.4 0.7 20.1 760 131 E P - 0 0 97 0, 0.0 2,-0.4 0, 0.0 -27,-0.1 -0.427 19.9-105.0 -72.4 150.1 76.8 -2.2 19.6 761 132 E W - 0 0 39 1,-0.1 -31,-0.2 -2,-0.1 -30,-0.1 -0.618 30.2-142.5 -60.2 120.8 77.6 -5.0 22.1 762 133 E S - 0 0 56 -32,-1.0 -1,-0.1 -2,-0.4 -32,-0.1 0.816 10.3-149.0 -60.9 -34.6 81.1 -4.1 23.4 763 134 E K + 0 0 158 -33,-0.3 -1,-0.1 1,-0.2 -32,-0.1 0.617 34.4 167.5 65.7 16.1 82.3 -7.7 23.6 764 135 E A > - 0 0 28 -34,-0.4 4,-2.3 1,-0.1 3,-0.4 -0.352 43.8-120.5 -63.7 139.3 84.5 -6.5 26.5 765 136 E Q H > S+ 0 0 167 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.826 108.4 50.5 -48.2 -45.3 86.0 -9.5 28.4 766 137 E R H > S+ 0 0 112 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.884 110.5 49.3 -70.1 -36.8 84.5 -8.7 31.9 767 138 E H H > S+ 0 0 8 -3,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.914 112.5 47.6 -65.7 -46.5 81.0 -8.3 30.4 768 139 E Q H X S+ 0 0 68 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.907 110.3 53.1 -61.0 -42.1 81.2 -11.6 28.6 769 140 E R H X S+ 0 0 119 -4,-2.3 4,-1.8 -5,-0.2 -2,-0.2 0.916 111.9 45.5 -56.8 -44.6 82.5 -13.3 31.8 770 141 E R H X S+ 0 0 130 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.917 112.1 50.2 -68.3 -46.3 79.5 -11.9 33.7 771 142 E I H X S+ 0 0 16 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.881 110.4 51.8 -55.4 -41.5 77.0 -13.0 31.0 772 143 E D H X S+ 0 0 83 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.885 106.4 52.8 -67.8 -37.4 78.6 -16.5 31.0 773 144 E I H X S+ 0 0 85 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.942 111.3 47.3 -62.2 -44.7 78.2 -16.8 34.8 774 145 E L H X S+ 0 0 100 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.922 110.1 51.6 -63.7 -42.5 74.6 -15.9 34.4 775 146 E A H X S+ 0 0 47 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.887 108.8 52.3 -61.3 -39.5 74.0 -18.4 31.5 776 147 E E H X S+ 0 0 91 -4,-2.3 4,-1.7 1,-0.2 6,-0.3 0.871 108.3 50.0 -64.2 -41.6 75.7 -21.1 33.6 777 148 E Y H X S+ 0 0 91 -4,-2.0 4,-3.5 1,-0.2 -2,-0.2 0.916 108.8 52.8 -62.5 -42.8 73.3 -20.4 36.5 778 149 E E H < S+ 0 0 60 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.883 109.8 50.2 -56.7 -39.9 70.3 -20.6 34.1 779 150 E R H < S+ 0 0 182 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.887 131.0 12.7 -66.6 -42.1 71.5 -24.0 33.0 780 151 E T H < S- 0 0 36 -4,-1.7 -2,-0.2 2,-0.1 -3,-0.2 0.552 82.5-137.0-114.4 -17.0 72.0 -25.6 36.4 781 152 E H < + 0 0 128 -4,-3.5 2,-0.7 -5,-0.3 -4,-0.1 0.745 57.1 141.6 47.3 31.4 70.2 -23.3 38.9 782 153 E E - 0 0 140 -6,-0.3 -1,-0.2 -5,-0.2 -2,-0.1 -0.899 56.1-124.3 -97.4 112.9 73.2 -23.8 41.1 783 154 E A - 0 0 84 -2,-0.7 3,-0.1 -3,-0.1 0, 0.0 -0.364 24.7-123.1 -59.5 125.7 74.0 -20.5 42.8 784 155 E P - 0 0 65 0, 0.0 -1,-0.1 0, 0.0 -11,-0.0 -0.386 36.9 -90.5 -67.2 155.1 77.6 -19.4 42.2 785 156 E P - 0 0 126 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.296 37.5-126.5 -67.4 148.4 79.8 -18.8 45.2 786 157 E V 0 0 137 -3,-0.1 -3,-0.0 0, 0.0 0, 0.0 -0.873 360.0 360.0 -97.6 127.7 79.9 -15.3 46.7 787 158 E P 0 0 171 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.547 360.0 360.0 -67.0 360.0 83.3 -13.6 47.2