==== 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 ISOMERASE 13-OCT-09 3K7O . COMPND 2 MOLECULE: RIBOSE 5-PHOSPHATE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TRYPANOSOMA CRUZI; . AUTHOR A.NAWORYTA,S.L.MOWBRAY,A.L.STERN . 301 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12037.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 226 75.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 43 14.3 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 . 13 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 119 39.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 2 2 2 0 0 3 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 1 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 . 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 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 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 T 0 0 141 0, 0.0 2,-0.5 0, 0.0 29,-0.2 0.000 360.0 360.0 360.0 170.6 16.3 52.5 15.8 2 3 A R E -a 30 0A 79 27,-3.9 29,-2.8 59,-0.0 2,-0.3 -0.946 360.0-142.4-120.7 114.2 17.6 49.0 16.2 3 4 A R E -a 31 0A 105 -2,-0.5 60,-1.9 27,-0.2 59,-1.6 -0.568 13.3-168.4 -80.6 135.6 21.2 48.4 17.4 4 5 A V E -ab 32 63A 0 27,-3.0 29,-2.9 -2,-0.3 2,-0.2 -0.945 9.6-151.1-128.1 106.9 23.3 45.6 15.9 5 6 A A E -ab 33 64A 0 58,-2.3 60,-2.5 -2,-0.5 2,-0.4 -0.571 13.4-156.9 -78.0 139.8 26.6 44.7 17.6 6 7 A I E +ab 34 65A 0 27,-2.3 29,-3.1 -2,-0.2 2,-0.3 -0.969 15.4 170.9-123.2 133.0 29.3 43.3 15.3 7 8 A G E + b 0 66A 0 58,-2.6 60,-1.9 -2,-0.4 2,-0.3 -0.993 2.1 172.1-138.4 148.9 32.2 41.0 16.2 8 9 A T E - b 0 67A 0 -2,-0.3 60,-0.2 58,-0.2 2,-0.2 -0.858 28.5-119.7-135.2 171.9 34.9 39.1 14.3 9 10 A D > - 0 0 17 58,-1.0 4,-1.0 -2,-0.3 35,-0.1 -0.385 54.1 -78.6 -94.8-168.4 38.1 37.1 15.0 10 11 A H T >4 S+ 0 0 47 33,-0.3 3,-0.7 1,-0.2 4,-0.4 0.944 127.5 40.8 -64.0 -52.2 41.4 38.2 13.4 11 12 A P G >4 S+ 0 0 39 0, 0.0 3,-1.4 0, 0.0 -1,-0.2 0.894 113.8 53.3 -64.6 -38.3 41.1 36.8 9.9 12 13 A A G >4 S+ 0 0 0 1,-0.3 3,-2.2 55,-0.2 -2,-0.2 0.653 86.9 83.7 -69.3 -15.8 37.4 37.9 9.5 13 14 A F G X< S+ 0 0 40 -4,-1.0 3,-1.7 -3,-0.7 4,-0.4 0.792 73.1 77.0 -53.4 -29.3 38.5 41.4 10.6 14 15 A A G < S+ 0 0 73 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.762 102.9 36.3 -50.0 -27.6 39.4 41.8 6.9 15 16 A I G <> S+ 0 0 10 -3,-2.2 4,-2.4 1,-0.1 -1,-0.3 0.206 79.0 109.8-117.1 15.3 35.6 42.3 6.3 16 17 A H H <> S+ 0 0 35 -3,-1.7 4,-2.1 1,-0.2 5,-0.1 0.874 83.0 52.1 -61.7 -36.0 34.5 44.2 9.4 17 18 A E H > S+ 0 0 145 -4,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.897 108.0 52.4 -61.9 -42.9 33.9 47.3 7.2 18 19 A N H > S+ 0 0 47 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.942 108.6 50.1 -53.6 -51.6 31.8 45.1 4.8 19 20 A L H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.893 109.0 50.7 -60.4 -43.5 29.7 44.0 7.8 20 21 A I H X S+ 0 0 37 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.938 112.5 48.3 -57.5 -48.2 29.1 47.6 9.0 21 22 A L H X S+ 0 0 93 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.908 109.9 50.5 -58.5 -47.0 28.0 48.5 5.5 22 23 A Y H X S+ 0 0 8 -4,-2.7 4,-1.2 2,-0.2 -1,-0.2 0.861 106.7 54.3 -66.7 -36.1 25.6 45.5 5.1 23 24 A V H >< S+ 0 0 0 -4,-2.2 3,-0.9 2,-0.2 4,-0.4 0.967 111.0 46.7 -57.1 -50.9 23.9 46.3 8.5 24 25 A K H >< S+ 0 0 117 -4,-2.0 3,-1.5 1,-0.2 -2,-0.2 0.877 106.3 59.3 -58.2 -39.7 23.3 49.9 7.2 25 26 A E H 3< S+ 0 0 78 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.760 90.4 69.6 -62.8 -27.0 22.0 48.5 3.8 26 27 A A T << S- 0 0 4 -4,-1.2 -1,-0.3 -3,-0.9 2,-0.2 0.727 123.5 -61.3 -62.3 -22.3 19.3 46.5 5.7 27 28 A G X - 0 0 18 -3,-1.5 3,-1.6 -4,-0.4 -1,-0.3 -0.679 45.2 -89.8 151.7 160.2 17.7 49.9 6.3 28 29 A D T 3 S+ 0 0 162 1,-0.3 -1,-0.1 -2,-0.2 -3,-0.1 0.758 116.8 67.0 -65.5 -22.8 18.2 53.3 8.0 29 30 A E T 3 S+ 0 0 89 -28,-0.1 -27,-3.9 -3,-0.1 2,-0.6 0.551 84.4 86.0 -73.1 -9.6 16.6 51.9 11.2 30 31 A F E < -a 2 0A 6 -3,-1.6 -27,-0.2 -6,-0.2 -3,-0.2 -0.860 60.9-166.2-100.2 122.8 19.6 49.5 11.8 31 32 A V E -a 3 0A 57 -29,-2.8 -27,-3.0 -2,-0.6 2,-0.3 -0.930 13.3-140.5-112.0 114.5 22.6 51.0 13.7 32 33 A P E -a 4 0A 26 0, 0.0 2,-0.5 0, 0.0 -27,-0.2 -0.568 12.4-167.8 -74.2 133.4 25.9 49.0 13.6 33 34 A V E -a 5 0A 29 -29,-2.9 -27,-2.3 -2,-0.3 2,-0.5 -0.932 17.0-145.1-121.2 99.7 27.9 49.0 16.9 34 35 A Y E +a 6 0A 62 -2,-0.5 -27,-0.2 -29,-0.2 -29,-0.1 -0.579 34.0 157.5 -79.5 120.5 31.3 47.6 16.1 35 36 A C + 0 0 8 -29,-3.1 -28,-0.2 -2,-0.5 -1,-0.1 0.036 39.0 109.1-126.4 19.7 32.8 45.5 18.9 36 37 A G S S- 0 0 2 -30,-0.2 -27,-0.1 1,-0.2 -29,-0.1 -0.159 83.4 -55.9 -88.9-174.6 35.3 43.4 17.0 37 38 A P - 0 0 6 0, 0.0 -1,-0.2 0, 0.0 6,-0.0 -0.403 38.4-147.4 -64.3 141.2 39.1 43.6 17.1 38 39 A K S S+ 0 0 185 -3,-0.1 2,-0.2 -2,-0.1 -2,-0.0 0.627 81.3 34.5 -79.6 -15.5 40.5 47.1 16.2 39 40 A T S S- 0 0 62 2,-0.1 -26,-0.1 3,-0.0 0, 0.0 -0.804 87.3-106.1-136.2 169.1 43.5 45.4 14.6 40 41 A A S S+ 0 0 70 -2,-0.2 3,-0.1 -27,-0.1 -26,-0.1 0.451 75.3 129.4 -76.7 -2.9 44.7 42.4 12.6 41 42 A E S S- 0 0 117 1,-0.1 2,-0.2 -31,-0.0 -2,-0.1 -0.046 71.0 -85.0 -51.7 152.9 46.4 40.9 15.8 42 43 A S + 0 0 91 -32,-0.1 2,-0.3 -33,-0.1 -1,-0.1 -0.406 57.5 165.6 -62.7 130.8 45.8 37.3 16.9 43 44 A V - 0 0 20 -2,-0.2 2,-0.6 -3,-0.1 -33,-0.3 -0.899 38.5-109.9-139.8 170.1 42.6 36.9 19.1 44 45 A D >> - 0 0 11 -2,-0.3 3,-1.7 1,-0.1 4,-0.9 -0.929 21.4-141.0-107.7 118.9 40.4 34.1 20.4 45 46 A Y H 3> S+ 0 0 17 -2,-0.6 4,-2.7 1,-0.3 3,-0.4 0.789 96.6 65.0 -49.3 -37.7 36.9 34.0 18.8 46 47 A P H 3> S+ 0 0 0 0, 0.0 4,-2.7 0, 0.0 -1,-0.3 0.838 97.7 55.8 -56.3 -34.8 35.2 33.0 22.2 47 48 A D H <> S+ 0 0 78 -3,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.888 113.4 39.8 -64.8 -41.4 36.2 36.4 23.7 48 49 A F H X S+ 0 0 27 -4,-0.9 4,-1.9 -3,-0.4 5,-0.2 0.840 114.1 52.6 -78.9 -33.2 34.5 38.3 20.9 49 50 A A H X S+ 0 0 0 -4,-2.7 4,-3.1 2,-0.2 5,-0.2 0.955 110.9 49.1 -61.5 -50.0 31.5 36.0 20.7 50 51 A S H X S+ 0 0 30 -4,-2.7 4,-3.1 -5,-0.2 5,-0.2 0.910 108.8 53.4 -53.0 -49.3 31.0 36.5 24.5 51 52 A R H X S+ 0 0 120 -4,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.913 115.6 37.5 -56.3 -49.6 31.2 40.3 24.1 52 53 A V H X S+ 0 0 0 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.916 116.7 53.3 -69.6 -43.4 28.5 40.6 21.5 53 54 A A H X S+ 0 0 0 -4,-3.1 4,-2.8 -5,-0.2 -2,-0.2 0.876 107.2 51.0 -60.3 -41.9 26.4 37.8 23.1 54 55 A E H X S+ 0 0 28 -4,-3.1 4,-2.8 2,-0.2 6,-0.2 0.920 108.1 53.0 -62.6 -43.7 26.4 39.6 26.5 55 56 A M H <>S+ 0 0 23 -4,-1.6 5,-1.8 -5,-0.2 6,-1.4 0.859 112.4 44.9 -57.3 -40.6 25.3 42.8 24.8 56 57 A V H ><5S+ 0 0 7 -4,-1.9 3,-1.3 3,-0.2 -2,-0.2 0.938 114.0 48.5 -68.4 -48.5 22.4 41.0 23.2 57 58 A A H 3<5S+ 0 0 30 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.853 112.9 47.0 -62.7 -37.4 21.5 39.1 26.4 58 59 A R T 3<5S- 0 0 163 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.430 113.3-123.4 -82.6 0.6 21.6 42.3 28.5 59 60 A K T < 5S+ 0 0 179 -3,-1.3 -3,-0.2 -5,-0.2 -2,-0.1 0.663 72.4 132.8 63.6 22.2 19.5 44.0 25.7 60 61 A E S S+ 0 0 0 38,-0.3 4,-1.8 17,-0.1 5,-0.1 0.244 81.8 109.8 81.6 -11.2 31.2 30.7 11.7 72 73 A I H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.925 74.0 46.3 -65.6 -48.8 31.1 27.5 13.7 73 74 A G H > S+ 0 0 1 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.879 111.0 53.8 -63.6 -39.6 33.1 28.6 16.8 74 75 A M H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.885 108.9 48.7 -59.9 -42.2 31.1 31.8 17.0 75 76 A S H X S+ 0 0 0 -4,-1.8 4,-1.6 2,-0.2 11,-0.2 0.900 113.7 46.1 -70.0 -37.6 27.8 30.0 17.0 76 77 A I H X S+ 0 0 0 -4,-2.2 4,-0.8 2,-0.2 -2,-0.2 0.981 117.2 42.6 -64.5 -54.3 28.9 27.5 19.7 77 78 A A H >< S+ 0 0 0 -4,-2.7 3,-0.9 1,-0.2 4,-0.2 0.901 114.1 50.0 -61.1 -45.7 30.4 30.3 22.0 78 79 A A H >< S+ 0 0 0 -4,-2.3 3,-1.6 1,-0.2 -1,-0.2 0.871 105.0 57.1 -64.3 -39.5 27.6 32.8 21.6 79 80 A N H 3< S+ 0 0 0 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.683 90.0 74.5 -65.0 -19.6 24.9 30.2 22.4 80 81 A K T << S+ 0 0 16 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.587 80.5 86.8 -67.8 -11.8 26.6 29.5 25.7 81 82 A V S X S- 0 0 1 -3,-1.6 3,-2.0 -4,-0.2 218,-0.1 -0.827 90.2-116.1 -94.7 120.8 25.1 32.9 26.9 82 83 A P T 3 S+ 0 0 52 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.275 100.2 27.8 -57.7 137.5 21.6 32.6 28.3 83 84 A G T 3 S+ 0 0 28 1,-0.3 2,-0.4 -4,-0.1 -4,-0.1 0.265 95.5 118.2 93.1 -10.5 19.0 34.5 26.3 84 85 A V < - 0 0 0 -3,-2.0 2,-0.5 -5,-0.2 -1,-0.3 -0.774 39.9-176.3 -96.3 132.0 21.1 34.2 23.1 85 86 A R - 0 0 25 -2,-0.4 21,-1.9 18,-0.1 20,-1.8 -0.899 16.7-175.8-121.5 96.4 19.8 32.3 20.0 86 87 A A E -d 106 0A 0 -2,-0.5 2,-0.5 -11,-0.2 21,-0.2 -0.852 6.7-160.8-102.9 127.1 22.7 32.4 17.5 87 88 A A E -d 107 0A 0 19,-3.1 21,-2.8 -2,-0.5 2,-0.7 -0.925 13.8-144.3-114.4 119.2 22.2 30.9 14.0 88 89 A L E -d 108 0A 6 -2,-0.5 2,-0.3 19,-0.2 21,-0.2 -0.740 30.6-170.7 -76.1 114.5 25.0 29.9 11.7 89 90 A C + 0 0 1 19,-2.4 21,-0.4 -2,-0.7 3,-0.1 -0.828 27.1 173.4-113.8 145.9 23.7 30.8 8.3 90 91 A H + 0 0 36 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.359 69.0 10.4-129.9 -0.8 25.1 30.0 4.8 91 92 A D S > S- 0 0 52 1,-0.1 4,-1.8 30,-0.1 -1,-0.2 -0.937 85.9 -83.4-163.0 178.0 22.4 31.3 2.5 92 93 A H H > S+ 0 0 93 -2,-0.3 4,-2.7 2,-0.2 5,-0.2 0.852 120.7 54.7 -58.0 -44.6 19.2 33.4 2.2 93 94 A Y H > S+ 0 0 90 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.938 110.4 42.9 -60.8 -52.9 16.9 30.5 3.2 94 95 A T H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.891 113.5 54.1 -61.8 -38.6 18.7 29.8 6.6 95 96 A A H X S+ 0 0 0 -4,-1.8 4,-0.8 2,-0.2 -2,-0.2 0.956 113.9 41.1 -59.7 -49.9 18.9 33.5 7.3 96 97 A A H >X S+ 0 0 8 -4,-2.7 4,-2.5 1,-0.2 3,-0.9 0.947 115.7 49.0 -63.5 -50.0 15.2 33.9 6.8 97 98 A M H 3X>S+ 0 0 31 -4,-3.0 4,-3.2 1,-0.2 5,-0.9 0.821 101.1 63.1 -61.4 -34.9 14.2 30.7 8.7 98 99 A S H 3<5S+ 0 0 0 -4,-2.3 6,-2.6 -5,-0.2 4,-0.3 0.823 113.4 37.5 -58.8 -30.7 16.4 31.5 11.7 99 100 A R H > -c 68 0A 0 -40,-0.4 4,-2.9 -21,-0.4 3,-0.7 -0.912 11.9-166.5-105.8 112.3 32.0 32.0 7.8 111 112 A E T 34 S+ 0 0 39 -43,-2.8 -42,-0.2 -2,-0.6 -41,-0.2 0.697 92.2 44.3 -67.5 -25.3 34.3 34.5 6.0 112 113 A R T 34 S+ 0 0 165 -43,-2.3 -1,-0.2 -44,-0.4 -42,-0.2 0.471 121.7 39.2 -96.4 -6.1 36.4 31.6 4.5 113 114 A T T <4 S+ 0 0 41 -44,-0.8 2,-0.5 -3,-0.7 -2,-0.2 0.744 111.8 50.7-109.1 -38.7 33.4 29.5 3.5 114 115 A T S < S- 0 0 14 -4,-2.9 -1,-0.2 -45,-0.3 -23,-0.1 -0.903 83.3-119.0-113.9 127.9 30.7 32.0 2.3 115 116 A G >> - 0 0 50 -2,-0.5 4,-2.2 1,-0.1 3,-0.9 -0.292 29.3-111.7 -62.8 152.3 31.4 34.6 -0.4 116 117 A V H 3> S+ 0 0 57 1,-0.3 4,-2.7 2,-0.2 5,-0.1 0.798 114.9 55.4 -60.5 -33.5 31.0 38.3 0.6 117 118 A E H 3> S+ 0 0 127 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.833 110.1 46.6 -70.4 -30.3 27.9 38.9 -1.6 118 119 A V H <> S+ 0 0 55 -3,-0.9 4,-2.9 2,-0.2 -2,-0.2 0.865 110.1 53.2 -75.3 -38.3 26.2 36.0 0.1 119 120 A I H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.941 108.0 52.2 -57.0 -47.4 27.2 37.3 3.5 120 121 A R H X S+ 0 0 75 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.931 111.6 45.3 -50.0 -51.4 25.7 40.6 2.5 121 122 A E H X S+ 0 0 89 -4,-1.7 4,-2.7 1,-0.2 5,-0.3 0.897 110.9 53.8 -62.7 -42.8 22.4 38.8 1.6 122 123 A I H X S+ 0 0 0 -4,-2.9 4,-2.5 2,-0.2 -2,-0.2 0.953 111.5 45.3 -55.9 -49.0 22.5 36.8 4.8 123 124 A I H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 5,-0.2 0.935 115.4 45.3 -66.5 -44.5 22.8 39.9 7.0 124 125 A I H X S+ 0 0 22 -4,-2.4 4,-2.6 -5,-0.2 5,-0.2 0.940 115.2 47.6 -63.0 -47.3 20.1 41.9 5.1 125 126 A T H X S+ 0 0 12 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.899 111.8 50.5 -59.9 -44.4 17.7 39.0 5.1 126 127 A F H < S+ 0 0 0 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.901 114.8 42.6 -62.3 -45.4 18.3 38.3 8.8 127 128 A L H < S+ 0 0 3 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.881 118.9 43.4 -71.2 -37.9 17.7 41.9 9.9 128 129 A Q H < S+ 0 0 113 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.701 92.7 90.3 -83.3 -21.1 14.6 42.4 7.6 129 130 A T < - 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0 0 50 -2,-0.4 4,-2.5 1,-0.1 3,-0.6 -0.255 27.4-113.1 -63.9 153.2 20.4 17.1 0.0 267 117 B V H 3> S+ 0 0 60 1,-0.3 4,-2.8 2,-0.2 5,-0.1 0.835 114.8 54.7 -60.5 -37.3 20.7 13.6 1.4 268 118 B E H 3> S+ 0 0 126 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.847 110.9 45.8 -66.9 -31.6 24.0 12.8 -0.4 269 119 B V H <> S+ 0 0 59 -3,-0.6 4,-2.8 2,-0.2 -2,-0.2 0.883 110.4 54.0 -77.0 -38.3 25.6 15.9 1.1 270 120 B I H X S+ 0 0 1 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.931 107.8 51.5 -55.2 -46.3 24.2 14.9 4.5 271 121 B R H X S+ 0 0 81 -4,-2.8 4,-2.4 1,-0.2 5,-0.2 0.954 111.6 46.2 -54.3 -53.0 25.8 11.5 4.0 272 122 B E H X S+ 0 0 93 -4,-2.0 4,-2.6 1,-0.2 5,-0.2 0.905 111.4 52.9 -55.1 -45.3 29.2 13.2 3.3 273 123 B I H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.936 111.7 44.1 -58.7 -49.4 28.8 15.6 6.3 274 124 B I H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 5,-0.2 0.928 115.0 47.4 -66.7 -43.4 28.1 12.7 8.8 275 125 B I H X S+ 0 0 18 -4,-2.4 4,-2.6 -5,-0.2 5,-0.2 0.945 115.4 46.0 -61.5 -47.9 30.9 10.5 7.5 276 126 B T H X S+ 0 0 12 -4,-2.6 4,-2.4 -5,-0.2 -2,-0.2 0.898 110.8 53.1 -60.5 -44.7 33.4 13.4 7.4 277 127 B F H < S+ 0 0 0 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.946 115.1 40.3 -56.4 -49.0 32.4 14.6 10.9 278 128 B L H < S+ 0 0 1 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.881 119.5 43.7 -72.2 -38.2 33.0 11.1 12.4 279 129 B Q H < S+ 0 0 114 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.779 93.9 88.0 -78.3 -29.8 36.2 10.3 10.5 280 130 B T S < S- 0 0 24 -4,-2.4 2,-0.1 -5,-0.2 3,-0.0 -0.606 70.5-145.1 -78.7 121.9 37.9 13.7 10.9 281 131 B P - 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