==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 30-NOV-04 2BES . COMPND 2 MOLECULE: CARBOHYDRATE-PHOSPHATE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR A.K.ROOS,D.J.ERICSSON,S.L.MOWBRAY . 787 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32486.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 548 69.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 107 13.6 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 . 37 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 313 39.8 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 5 0 0 2 12 0 0 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 5 4 11 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 46 0, 0.0 60,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 99.2 19.9 1.0 -9.2 2 4 A M + 0 0 125 58,-0.5 27,-1.9 1,-0.2 2,-0.4 0.789 360.0 55.8-106.8 -56.2 22.5 -0.7 -11.3 3 5 A R E S-a 29 0A 100 25,-0.2 59,-2.0 57,-0.1 2,-0.4 -0.668 72.8-171.1 -78.8 131.5 25.7 -0.3 -9.4 4 6 A V E -ab 30 62A 0 25,-1.5 27,-2.2 -2,-0.4 2,-0.5 -0.955 13.3-148.9-134.7 113.1 25.2 -1.8 -5.9 5 7 A Y E -ab 31 63A 22 57,-2.2 59,-2.3 -2,-0.4 2,-0.5 -0.704 15.9-163.5 -86.2 123.0 27.8 -1.4 -3.0 6 8 A L E +ab 32 64A 0 25,-2.2 27,-2.3 -2,-0.5 28,-0.6 -0.926 11.4 175.4-114.9 126.1 27.9 -4.3 -0.6 7 9 A G E +ab 34 65A 0 57,-1.6 59,-2.3 -2,-0.5 2,-0.3 -0.902 11.5 154.0-121.2 152.4 29.4 -4.2 2.9 8 10 A A E - b 0 66A 0 26,-1.6 59,-0.2 -2,-0.3 2,-0.1 -0.934 31.8-134.3-173.9 152.5 29.4 -7.0 5.5 9 11 A D > - 0 0 7 57,-1.4 3,-1.0 -2,-0.3 4,-0.3 -0.282 55.0 -77.9 -97.7-171.2 31.1 -8.5 8.5 10 12 A H G > S+ 0 0 23 29,-0.4 3,-0.7 32,-0.3 4,-0.5 0.795 127.9 59.9 -57.7 -35.2 31.8 -12.3 9.0 11 13 A A G 3 S+ 0 0 20 1,-0.2 -1,-0.2 2,-0.1 56,-0.2 0.705 118.7 29.0 -71.6 -22.3 28.2 -13.0 10.1 12 14 A G G <> S+ 0 0 1 -3,-1.0 4,-1.5 54,-0.4 -1,-0.2 0.205 94.4 101.0-116.4 13.2 26.9 -11.7 6.7 13 15 A Y H <> S+ 0 0 34 -3,-0.7 4,-1.6 -4,-0.3 5,-0.1 0.915 81.0 46.1 -67.9 -48.3 29.9 -12.6 4.6 14 16 A E H > S+ 0 0 104 -4,-0.5 4,-1.2 1,-0.2 -1,-0.2 0.860 114.6 48.3 -65.7 -37.4 28.7 -15.9 3.0 15 17 A L H > S+ 0 0 15 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.819 107.0 57.7 -70.7 -32.0 25.3 -14.3 2.1 16 18 A K H X S+ 0 0 0 -4,-1.5 4,-1.7 2,-0.2 -2,-0.2 0.870 105.1 49.8 -65.1 -38.6 27.1 -11.3 0.7 17 19 A Q H X S+ 0 0 60 -4,-1.6 4,-1.5 1,-0.2 -1,-0.2 0.853 110.9 50.0 -69.4 -33.3 29.0 -13.5 -1.8 18 20 A R H X S+ 0 0 137 -4,-1.2 4,-1.8 2,-0.2 -2,-0.2 0.832 110.1 50.2 -72.7 -33.8 25.8 -15.2 -2.9 19 21 A I H X S+ 0 0 0 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.830 107.2 54.6 -73.1 -33.7 24.1 -11.8 -3.4 20 22 A I H X S+ 0 0 19 -4,-1.7 4,-1.4 2,-0.2 -2,-0.2 0.899 110.7 45.4 -64.9 -42.3 27.0 -10.6 -5.5 21 23 A E H X S+ 0 0 98 -4,-1.5 4,-1.5 1,-0.2 -2,-0.2 0.886 113.1 50.2 -67.6 -40.4 26.7 -13.6 -7.8 22 24 A H H X S+ 0 0 31 -4,-1.8 4,-0.7 1,-0.2 -2,-0.2 0.838 109.5 51.3 -66.2 -34.6 22.9 -13.2 -8.0 23 25 A L H <>S+ 0 0 0 -4,-1.9 5,-2.7 1,-0.2 -1,-0.2 0.818 107.2 52.7 -75.3 -30.2 23.3 -9.5 -8.9 24 26 A K H ><5S+ 0 0 127 -4,-1.4 3,-0.9 1,-0.2 -1,-0.2 0.857 108.4 51.9 -70.2 -35.2 25.7 -10.3 -11.7 25 27 A Q H 3<5S+ 0 0 135 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.660 108.0 51.6 -75.8 -18.3 23.1 -12.8 -13.1 26 28 A T T 3<5S- 0 0 63 -4,-0.7 -1,-0.2 -3,-0.2 -2,-0.2 0.160 124.8 -95.1-106.7 16.6 20.3 -10.2 -13.1 27 29 A G T < 5S+ 0 0 56 -3,-0.9 2,-0.2 1,-0.3 -3,-0.2 0.675 82.6 125.8 85.6 20.6 22.3 -7.5 -15.0 28 30 A H < - 0 0 31 -5,-2.7 -1,-0.3 -6,-0.1 -25,-0.2 -0.661 58.3-128.6-107.4 163.7 23.7 -5.4 -12.1 29 31 A E E -a 3 0A 107 -27,-1.9 -25,-1.5 -2,-0.2 2,-0.2 -0.807 26.0-163.4-114.0 87.6 27.2 -4.4 -11.2 30 32 A P E -a 4 0A 22 0, 0.0 2,-0.5 0, 0.0 -25,-0.2 -0.486 1.6-158.0 -72.1 140.5 28.0 -5.4 -7.6 31 33 A I E -a 5 0A 32 -27,-2.2 -25,-2.2 -2,-0.2 2,-0.8 -0.980 11.7-138.0-124.4 118.4 31.0 -3.7 -5.9 32 34 A D E +a 6 0A 47 -2,-0.5 -25,-0.2 -27,-0.2 3,-0.1 -0.655 23.7 174.8 -84.7 108.7 32.6 -5.4 -2.9 33 35 A C E - 0 0 10 -27,-2.3 -26,-0.2 -2,-0.8 -1,-0.2 0.558 56.7 -74.6 -82.2 -12.2 33.5 -2.9 -0.1 34 36 A G E S+a 7 0A 3 -28,-0.6 -26,-1.6 1,-0.3 -1,-0.3 -0.362 89.0 117.8 118.6 162.3 34.5 -5.8 2.2 35 37 A A - 0 0 7 -28,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.432 46.2-179.0 -79.4 141.4 35.0 -8.0 3.9 36 38 A L S S+ 0 0 131 -3,-0.2 2,-0.3 -2,-0.1 -2,-0.1 0.681 70.5 28.4 -81.2 -21.4 36.8 -9.8 1.1 37 39 A R S S- 0 0 183 2,-0.0 2,-0.6 0, 0.0 -2,-0.2 -0.900 95.3 -92.2-130.6 165.4 37.6 -12.8 3.2 38 40 A Y + 0 0 130 -2,-0.3 2,-0.4 -25,-0.0 -29,-0.0 -0.695 43.8 170.5 -78.6 120.2 35.9 -14.6 6.2 39 41 A D > - 0 0 60 -2,-0.6 3,-1.5 1,-0.1 -29,-0.4 -0.935 23.3-154.7-132.9 109.8 37.4 -13.3 9.4 40 42 A A T 3 S+ 0 0 45 -2,-0.4 -1,-0.1 1,-0.3 -29,-0.1 0.676 92.2 42.1 -60.0 -23.1 35.4 -14.5 12.5 41 43 A D T 3 S+ 0 0 92 -31,-0.1 -1,-0.3 2,-0.1 -32,-0.0 0.420 84.2 125.1-106.6 -2.4 36.4 -11.5 14.7 42 44 A D < - 0 0 9 -3,-1.5 2,-0.4 1,-0.1 -32,-0.3 -0.152 57.7-119.3 -65.5 154.9 36.1 -8.6 12.2 43 45 A D > - 0 0 28 1,-0.1 4,-0.5 -34,-0.1 3,-0.4 -0.804 8.0-147.4-103.9 134.5 34.0 -5.6 13.0 44 46 A Y H >> S+ 0 0 11 -2,-0.4 4,-1.8 1,-0.2 3,-0.6 0.810 80.0 77.6 -69.8 -35.3 31.0 -4.4 11.0 45 47 A P H 3> S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.826 93.6 50.1 -49.4 -43.9 31.1 -0.6 11.3 46 48 A A H 3> S+ 0 0 11 -3,-0.4 4,-1.4 1,-0.2 -2,-0.1 0.865 111.9 46.5 -66.6 -40.2 33.9 0.1 8.8 47 49 A F H < S+ 0 0 3 -4,-1.5 3,-0.9 2,-0.2 6,-0.3 0.901 111.3 45.5 -70.9 -43.2 26.4 4.8 -2.3 56 58 A V H 3< S+ 0 0 52 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.825 112.3 52.2 -69.4 -32.3 25.5 8.4 -1.3 57 59 A A T 3< S+ 0 0 81 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.426 102.5 68.3 -83.1 -0.5 28.4 9.7 -3.3 58 60 A D S X S- 0 0 20 -3,-0.9 3,-1.8 -4,-0.1 -1,-0.2 -0.879 82.6-140.1-126.1 95.0 27.3 7.8 -6.4 59 61 A P T 3 S+ 0 0 115 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.318 86.2 17.8 -58.5 131.0 24.0 9.1 -7.9 60 62 A G T 3 S+ 0 0 63 1,-0.3 -58,-0.5 -5,-0.1 2,-0.1 0.194 100.5 115.9 93.4 -14.2 21.7 6.3 -9.1 61 63 A S < - 0 0 8 -3,-1.8 -1,-0.3 -6,-0.3 2,-0.2 -0.397 46.8-158.1 -84.6 161.5 23.4 3.6 -7.1 62 64 A L E -b 4 0A 8 -59,-2.0 -57,-2.2 -2,-0.1 2,-0.3 -0.706 6.3-149.7-124.4-178.3 22.1 1.5 -4.2 63 65 A G E -bc 5 105A 0 41,-1.7 43,-1.4 -59,-0.3 2,-0.4 -0.995 8.5-158.3-156.2 153.2 23.7 -0.5 -1.4 64 66 A I E -bc 6 106A 0 -59,-2.3 -57,-1.6 -2,-0.3 2,-0.4 -0.973 6.5-166.0-138.5 121.5 23.3 -3.5 0.8 65 67 A V E -bc 7 107A 0 41,-2.1 43,-1.8 -2,-0.4 2,-0.4 -0.913 12.8-160.3-107.6 134.1 24.9 -4.1 4.2 66 68 A L E +bc 8 108A 0 -59,-2.3 -57,-1.4 -2,-0.4 -54,-0.4 -0.897 23.6 136.5-120.2 143.7 24.9 -7.6 5.8 67 69 A G E - c 0 109A 0 41,-1.7 43,-2.7 -2,-0.4 44,-0.3 -0.780 67.5 -68.8-155.0-161.3 25.3 -8.9 9.3 68 70 A G S S- 0 0 8 -2,-0.2 43,-1.7 41,-0.2 44,-0.4 0.967 132.3 -1.8 -68.6 -53.8 23.8 -11.4 11.7 69 71 A S S S- 0 0 10 40,-0.2 40,-0.5 41,-0.1 -1,-0.1 0.531 92.6-130.3-108.9 -16.9 20.6 -9.4 12.2 70 72 A G S > S+ 0 0 0 38,-0.3 4,-1.5 17,-0.0 5,-0.1 0.486 79.7 108.6 74.9 8.3 21.6 -6.5 9.9 71 73 A N H > S+ 0 0 0 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.880 76.8 43.3 -85.5 -38.9 20.6 -4.0 12.7 72 74 A G H > S+ 0 0 0 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.737 114.3 56.6 -74.1 -20.2 24.0 -2.8 13.8 73 75 A E H > S+ 0 0 7 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.898 108.2 43.0 -77.5 -42.6 24.8 -2.6 10.1 74 76 A Q H X S+ 0 0 0 -4,-1.5 4,-1.9 2,-0.2 11,-0.2 0.830 112.0 56.5 -71.9 -32.3 22.0 -0.3 9.2 75 77 A I H X S+ 0 0 2 -4,-1.6 4,-0.6 2,-0.2 -2,-0.2 0.915 108.9 45.8 -63.9 -43.7 22.7 1.8 12.3 76 78 A A H >< S+ 0 0 0 -4,-1.5 3,-0.6 1,-0.2 4,-0.4 0.878 112.6 50.4 -66.4 -39.6 26.3 2.3 11.1 77 79 A A H >< S+ 0 0 0 -4,-1.7 3,-1.0 1,-0.2 -1,-0.2 0.831 105.2 58.0 -66.5 -32.9 25.1 3.2 7.6 78 80 A N H 3< S+ 0 0 0 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.631 93.7 65.9 -76.4 -15.7 22.6 5.7 9.0 79 81 A K T << S+ 0 0 8 -3,-0.6 -1,-0.2 -4,-0.6 -2,-0.2 0.685 81.4 96.0 -74.8 -20.3 25.4 7.7 10.7 80 82 A V S X S- 0 0 5 -3,-1.0 3,-1.5 -4,-0.4 2,-0.1 -0.567 91.0-107.0 -69.9 129.1 26.8 8.5 7.3 81 83 A P T 3 S+ 0 0 68 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.391 102.2 13.7 -58.9 130.9 25.5 12.0 6.2 82 84 A G T 3 S+ 0 0 26 1,-0.3 2,-0.2 -4,-0.1 -4,-0.1 0.151 98.4 125.9 90.6 -16.8 22.9 11.7 3.4 83 85 A A < - 0 0 0 -3,-1.5 2,-0.4 -6,-0.2 -1,-0.3 -0.503 38.2-172.8 -82.8 145.2 22.3 8.0 3.9 84 86 A R - 0 0 30 -2,-0.2 21,-1.6 18,-0.1 2,-0.6 -0.930 10.7-179.7-136.2 103.5 18.9 6.4 4.6 85 87 A C E -d 105 0A 0 -2,-0.4 21,-0.2 -11,-0.2 2,-0.2 -0.934 5.9-167.1-116.3 112.0 19.3 2.7 5.4 86 88 A A E -d 106 0A 0 19,-1.7 21,-2.4 -2,-0.6 2,-0.7 -0.471 26.2-118.9 -86.3 161.6 16.2 0.6 6.1 87 89 A L E -d 107 0A 1 19,-0.2 2,-0.6 -2,-0.2 21,-0.2 -0.922 29.9-159.0-101.2 111.3 16.2 -2.8 7.6 88 90 A A + 0 0 0 19,-2.0 21,-0.3 -2,-0.7 3,-0.1 -0.834 29.6 154.9 -95.3 116.8 14.6 -5.2 5.0 89 91 A W + 0 0 45 -2,-0.6 2,-0.3 1,-0.1 -1,-0.1 0.215 68.5 21.2-120.4 9.6 13.3 -8.4 6.5 90 92 A S S > S- 0 0 27 1,-0.1 4,-1.7 31,-0.1 5,-0.2 -0.973 83.1-100.0-164.5 167.7 10.7 -9.1 3.8 91 93 A V H > S+ 0 0 81 -2,-0.3 4,-2.0 1,-0.2 5,-0.2 0.887 121.1 53.7 -61.7 -40.2 9.7 -8.3 0.2 92 94 A Q H > S+ 0 0 106 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.903 110.4 43.9 -62.3 -45.2 7.2 -5.8 1.5 93 95 A T H > S+ 0 0 0 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.774 112.3 52.5 -76.4 -26.8 9.7 -3.8 3.6 94 96 A A H X S+ 0 0 0 -4,-1.7 4,-1.2 2,-0.2 -1,-0.2 0.894 113.5 44.5 -70.1 -41.6 12.3 -3.8 0.9 95 97 A A H X S+ 0 0 21 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.879 113.7 49.1 -69.7 -40.4 9.8 -2.4 -1.6 96 98 A L H X>S+ 0 0 30 -4,-2.2 4,-2.5 2,-0.2 5,-1.2 0.778 101.9 63.9 -72.0 -27.8 8.5 0.2 0.9 97 99 A A H <5S+ 0 0 0 -4,-1.3 6,-2.2 3,-0.2 4,-0.4 0.930 112.8 35.0 -59.3 -45.2 12.0 1.3 1.8 98 100 A R H X5S+ 0 0 32 -4,-1.2 4,-0.8 4,-0.2 33,-0.4 0.941 121.7 46.1 -70.8 -49.8 12.4 2.5 -1.8 99 101 A E H <5S+ 0 0 79 -4,-2.5 32,-0.9 31,-0.2 34,-0.3 0.910 130.2 16.1 -65.1 -48.5 8.8 3.7 -2.3 100 102 A H T <5S+ 0 0 39 -4,-2.5 -3,-0.2 -5,-0.1 -1,-0.1 0.874 135.2 32.4 -94.7 -46.9 8.3 5.6 0.9 101 103 A N T 4> -c 67 0A 1 -40,-0.5 3,-1.1 -2,-0.4 4,-0.7 -0.825 9.1-162.0 -91.5 113.1 20.3 -10.4 8.6 110 112 A G T 34 S+ 0 0 23 -43,-2.7 -42,-0.2 -2,-0.7 -1,-0.1 0.710 91.9 53.0 -64.2 -23.8 22.0 -13.5 7.1 111 113 A R T 34 S+ 0 0 154 -43,-1.7 -1,-0.2 -44,-0.3 -42,-0.1 0.551 103.6 59.1 -85.3 -12.2 20.9 -15.6 10.2 112 114 A M T <4 S+ 0 0 29 -3,-1.1 2,-0.3 -44,-0.4 -2,-0.2 0.650 106.1 38.0 -92.9 -19.5 17.2 -14.6 9.8 113 115 A H S < S- 0 0 31 -4,-0.7 2,-0.1 -3,-0.1 -5,-0.0 -0.880 75.3-113.1-131.9 163.4 16.5 -15.8 6.3 114 116 A T > - 0 0 76 -2,-0.3 4,-1.7 1,-0.1 5,-0.1 -0.348 45.3-102.4 -78.9 172.5 17.2 -18.7 3.9 115 117 A V H > S+ 0 0 57 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.924 123.0 50.6 -64.0 -43.8 19.2 -17.9 0.8 116 118 A A H > S+ 0 0 77 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.856 109.8 49.7 -62.9 -38.3 16.1 -17.9 -1.4 117 119 A E H > S+ 0 0 103 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.849 110.9 50.0 -69.1 -35.6 14.2 -15.5 1.0 118 120 A A H X S+ 0 0 0 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.859 108.4 51.5 -72.4 -37.3 17.2 -13.1 1.1 119 121 A L H X S+ 0 0 34 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.798 107.2 53.7 -70.7 -30.3 17.5 -13.0 -2.7 120 122 A A H X S+ 0 0 40 -4,-1.3 4,-1.7 2,-0.2 -1,-0.2 0.833 107.6 51.0 -70.1 -35.2 13.8 -12.2 -3.1 121 123 A I H X S+ 0 0 3 -4,-1.2 4,-1.6 2,-0.2 -2,-0.2 0.894 110.2 49.8 -65.0 -41.8 14.3 -9.3 -0.6 122 124 A V H X S+ 0 0 0 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.862 108.3 53.3 -64.9 -37.8 17.2 -8.1 -2.8 123 125 A D H X S+ 0 0 58 -4,-1.7 4,-1.3 1,-0.2 -1,-0.2 0.895 109.4 47.6 -66.0 -41.7 15.1 -8.3 -6.0 124 126 A A H X S+ 0 0 9 -4,-1.7 4,-1.6 1,-0.2 -1,-0.2 0.837 111.0 53.4 -66.9 -33.6 12.4 -6.1 -4.5 125 127 A F H < S+ 0 0 0 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.921 113.2 39.5 -68.7 -46.1 14.9 -3.6 -3.3 126 128 A V H < S+ 0 0 15 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.655 121.4 42.2 -81.9 -17.4 16.7 -3.1 -6.7 127 129 A T H < S+ 0 0 100 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.690 89.3 92.5-102.5 -24.5 13.5 -3.1 -8.9 128 130 A T S < S- 0 0 29 -4,-1.6 2,-0.1 -5,-0.2 3,-0.0 -0.620 72.4-136.5 -76.9 121.1 11.0 -1.1 -6.8 129 131 A P - 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0 0 80 -2,-0.3 4,-1.5 1,-0.1 5,-0.1 -0.392 45.1-101.4 -86.5 174.6 57.1 11.1 25.8 748 117 E V H > S+ 0 0 50 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.888 122.4 48.7 -67.8 -38.8 56.9 9.7 22.3 749 118 E A H > S+ 0 0 75 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.890 110.5 49.8 -68.0 -42.1 60.2 11.5 21.2 750 119 E E H > S+ 0 0 106 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.820 110.4 52.1 -65.4 -32.3 62.1 10.4 24.3 751 120 E A H X S+ 0 0 1 -4,-1.5 4,-1.6 2,-0.2 -1,-0.2 0.866 107.5 49.7 -73.4 -39.4 61.0 6.8 23.7 752 121 E L H X S+ 0 0 30 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.773 106.6 56.4 -72.2 -27.4 62.2 6.7 20.1 753 122 E A H X S+ 0 0 38 -4,-1.4 4,-1.7 2,-0.2 -1,-0.2 0.823 106.6 50.7 -69.4 -33.6 65.6 8.1 21.1 754 123 E I H X S+ 0 0 4 -4,-1.0 4,-1.6 2,-0.2 -2,-0.2 0.883 110.1 49.9 -67.0 -41.0 65.9 5.2 23.5 755 124 E V H X S+ 0 0 0 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.894 108.3 53.0 -64.0 -41.7 65.0 2.8 20.6 756 125 E D H X S+ 0 0 58 -4,-2.0 4,-1.3 1,-0.2 5,-0.2 0.910 110.0 46.9 -61.6 -45.5 67.7 4.4 18.4 757 126 E A H X S+ 0 0 12 -4,-1.7 4,-1.4 1,-0.2 -1,-0.2 0.822 111.1 53.7 -65.7 -32.8 70.4 4.0 20.9 758 127 E F H < S+ 0 0 0 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.900 113.9 38.8 -69.6 -41.8 69.4 0.3 21.5 759 128 E V H < S+ 0 0 11 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.608 121.9 40.9 -88.9 -14.3 69.5 -0.7 17.9 760 129 E T H < S+ 0 0 96 -4,-1.3 -2,-0.2 -5,-0.2 -3,-0.2 0.655 89.0 95.7-105.5 -23.5 72.7 1.2 16.8 761 130 E T S < S- 0 0 24 -4,-1.4 2,-0.1 -5,-0.2 3,-0.0 -0.587 71.5-134.5 -74.7 122.5 74.9 0.7 19.9 762 131 E P - 0 0 101 0, 0.0 2,-0.5 0, 0.0 -27,-0.1 -0.341 18.6-105.2 -74.7 158.7 77.4 -2.2 19.3 763 132 E W - 0 0 39 1,-0.1 -31,-0.2 -28,-0.1 -30,-0.1 -0.733 29.0-143.2 -80.5 123.6 78.2 -5.0 21.8 764 133 E S - 0 0 56 -32,-0.8 -1,-0.1 -2,-0.5 -32,-0.1 0.774 9.7-148.6 -63.3 -33.0 81.6 -4.1 23.1 765 134 E K + 0 0 163 -33,-0.3 -1,-0.1 1,-0.2 -32,-0.1 0.669 34.4 168.9 68.8 19.8 82.9 -7.8 23.4 766 135 E A > - 0 0 26 -34,-0.4 4,-2.2 1,-0.1 5,-0.2 -0.340 42.1-121.7 -66.5 145.5 85.1 -6.7 26.3 767 136 E Q H > S+ 0 0 164 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.885 109.1 45.5 -53.8 -51.3 86.7 -9.5 28.3 768 137 E R H > S+ 0 0 113 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.831 112.2 52.6 -67.4 -33.6 85.2 -8.7 31.7 769 138 E H H > S+ 0 0 10 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.899 111.1 45.6 -68.4 -42.8 81.7 -8.2 30.2 770 139 E Q H X S+ 0 0 69 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.847 109.1 57.9 -67.2 -35.1 81.8 -11.6 28.5 771 140 E R H X S+ 0 0 123 -4,-2.0 4,-1.5 -5,-0.2 -2,-0.2 0.895 108.9 44.3 -61.3 -42.2 83.1 -13.2 31.7 772 141 E R H X S+ 0 0 132 -4,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.862 111.7 52.0 -73.2 -38.3 80.0 -12.0 33.6 773 142 E I H X S+ 0 0 15 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.844 109.9 51.0 -64.4 -35.2 77.5 -13.0 30.9 774 143 E D H X S+ 0 0 85 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.843 106.5 53.2 -72.2 -35.9 79.1 -16.5 30.9 775 144 E I H X S+ 0 0 86 -4,-1.5 4,-1.4 2,-0.2 -2,-0.2 0.900 111.6 46.7 -64.8 -40.3 78.8 -16.9 34.7 776 145 E L H X S+ 0 0 92 -4,-1.7 4,-1.6 2,-0.2 -2,-0.2 0.874 110.2 51.7 -69.0 -39.1 75.1 -16.0 34.4 777 146 E A H X S+ 0 0 45 -4,-1.8 4,-1.2 1,-0.2 -1,-0.2 0.807 108.7 52.4 -67.2 -30.5 74.5 -18.4 31.5 778 147 E E H X S+ 0 0 90 -4,-1.6 4,-1.6 2,-0.2 6,-0.3 0.815 107.1 52.1 -73.5 -34.1 76.2 -21.2 33.5 779 148 E Y H X S+ 0 0 95 -4,-1.4 4,-2.4 1,-0.2 -2,-0.2 0.825 106.7 53.9 -69.3 -33.2 73.8 -20.4 36.4 780 149 E E H < S+ 0 0 57 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.857 109.1 49.1 -67.6 -35.5 70.8 -20.7 34.0 781 150 E R H < S+ 0 0 180 -4,-1.2 -2,-0.2 1,-0.1 -1,-0.2 0.889 129.6 16.9 -70.7 -41.7 72.0 -24.2 32.9 782 151 E T H < S- 0 0 40 -4,-1.6 -2,-0.2 2,-0.1 -3,-0.2 0.624 83.4-138.8-108.9 -20.6 72.6 -25.7 36.4 783 152 E H < + 0 0 139 -4,-2.4 2,-0.6 -5,-0.2 -4,-0.1 0.795 58.4 136.8 53.8 33.9 70.7 -23.4 38.8 784 153 E E - 0 0 143 -6,-0.3 -1,-0.2 -5,-0.1 -2,-0.1 -0.936 57.8-125.5-112.1 109.3 73.6 -23.8 41.2 785 154 E A - 0 0 84 -2,-0.6 3,-0.1 -3,-0.1 -6,-0.0 -0.284 26.0-122.6 -57.0 128.6 74.6 -20.4 42.7 786 155 E P - 0 0 63 0, 0.0 -1,-0.1 0, 0.0 2,-0.0 -0.331 39.3 -82.3 -70.9 158.0 78.3 -19.6 42.2 787 156 E P - 0 0 125 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.317 41.0-123.5 -65.7 141.3 80.5 -18.9 45.2 788 157 E V > - 0 0 106 -3,-0.1 3,-1.4 1,-0.0 2,-0.0 -0.781 28.0-118.4 -89.0 115.5 80.4 -15.4 46.6 789 158 E P T 3 S+ 0 0 125 0, 0.0 -1,-0.0 0, 0.0 0, 0.0 -0.314 95.0 5.5 -54.3 125.3 83.9 -13.8 46.7 790 159 E G T 3 0 0 89 1,-0.2 -2,-0.0 -2,-0.0 0, 0.0 0.789 360.0 360.0 71.5 32.0 84.9 -13.0 50.3 791 160 E A < 0 0 122 -3,-1.4 -1,-0.2 0, 0.0 0, 0.0 -0.493 360.0 360.0 -79.3 360.0 81.9 -14.7 51.9