==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 10-DEC-01 1GR0 . COMPND 2 MOLECULE: INOSITOL-3-PHOSPHATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR R.A.NORMAN,J.MURRAY-RUST,N.Q.MCDONALD, . 328 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15049.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 244 74.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 11.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 34 10.4 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 93 28.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.5 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 2 0 0 3 0 0 1 0 1 1 2 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 3 2 2 0 1 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 . 3 1 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 1 0 1 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 14 A T 0 0 106 0, 0.0 44,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 -0.5 12.4 32.8 34.0 2 15 A E - 0 0 81 42,-0.1 2,-0.7 47,-0.1 47,-0.2 -0.429 360.0-138.8 -84.7 155.3 8.9 31.7 33.1 3 16 A V E -a 49 0A 0 45,-3.5 47,-2.3 -2,-0.1 2,-0.7 -0.920 19.2-145.0-113.6 101.9 7.1 32.2 29.8 4 17 A R E -a 50 0A 67 -2,-0.7 123,-2.7 45,-0.2 124,-2.3 -0.576 23.9-168.1 -71.5 109.7 3.5 33.2 30.6 5 18 A V E -ab 51 128A 0 45,-3.7 47,-3.0 -2,-0.7 48,-1.2 -0.834 15.5-169.6-109.3 138.4 1.4 31.6 27.8 6 19 A A E -ab 53 129A 0 122,-2.6 124,-2.7 -2,-0.4 2,-0.5 -0.955 14.8-145.4-120.5 140.9 -2.2 32.2 26.9 7 20 A I E -ab 54 130A 0 46,-2.1 48,-2.8 -2,-0.4 2,-0.7 -0.917 7.2-160.8-114.3 129.8 -4.1 29.9 24.4 8 21 A V E S+ab 55 131A 0 122,-2.9 124,-3.5 -2,-0.5 48,-0.2 -0.924 79.5 20.1-106.5 111.2 -6.8 30.9 21.9 9 22 A G - 0 0 13 46,-2.9 2,-1.7 -2,-0.7 5,-0.3 0.796 69.7-146.4 94.6 91.0 -8.7 27.8 20.9 10 23 A V + 0 0 0 45,-0.3 65,-0.1 -3,-0.2 -1,-0.1 -0.507 55.1 124.5 -86.9 69.3 -8.4 24.9 23.3 11 24 A G S > S- 0 0 15 -2,-1.7 4,-2.2 121,-0.1 5,-0.1 -0.055 80.4 -56.3-106.3-151.0 -8.6 22.2 20.6 12 25 A N H > S+ 0 0 16 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.893 134.4 49.8 -61.0 -42.4 -6.4 19.3 19.7 13 26 A C H > S+ 0 0 41 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.901 109.8 51.2 -64.0 -41.1 -3.3 21.4 19.1 14 27 A A H > S+ 0 0 0 -5,-0.3 4,-2.7 1,-0.2 5,-0.2 0.914 109.8 51.7 -61.8 -40.4 -3.8 23.1 22.5 15 28 A S H X S+ 0 0 2 -4,-2.2 4,-2.4 1,-0.2 5,-0.3 0.918 109.4 47.7 -62.8 -45.3 -4.0 19.6 24.1 16 29 A S H X S+ 0 0 3 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.867 113.0 51.0 -64.3 -35.6 -0.8 18.4 22.5 17 30 A L H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.958 112.6 42.6 -66.4 -52.7 0.9 21.7 23.7 18 31 A V H X S+ 0 0 4 -4,-2.7 4,-1.6 1,-0.2 -2,-0.2 0.925 119.0 45.0 -61.9 -44.7 -0.1 21.4 27.3 19 32 A Q H X S+ 0 0 0 -4,-2.4 4,-3.1 -5,-0.2 -1,-0.2 0.871 109.6 57.9 -64.8 -37.9 0.6 17.7 27.4 20 33 A G H X S+ 0 0 5 -4,-2.1 4,-2.0 -5,-0.3 -2,-0.2 0.901 104.4 48.7 -60.0 -44.4 3.9 18.3 25.6 21 34 A V H < S+ 0 0 5 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.923 114.3 47.8 -62.6 -41.4 5.2 20.7 28.3 22 35 A E H >< S+ 0 0 84 -4,-1.6 3,-1.2 1,-0.2 4,-0.3 0.918 108.7 54.6 -62.9 -45.6 4.2 18.1 30.9 23 36 A Y H 3< S+ 0 0 129 -4,-3.1 3,-0.3 1,-0.3 -1,-0.2 0.867 119.6 30.9 -57.6 -41.8 5.8 15.3 29.1 24 37 A Y T >< S+ 0 0 61 -4,-2.0 3,-1.9 1,-0.2 23,-0.3 0.139 82.2 117.4-105.7 19.2 9.2 17.0 28.8 25 38 A Y T < S+ 0 0 82 -3,-1.2 22,-0.2 1,-0.3 -1,-0.2 0.804 86.5 35.7 -55.3 -31.9 8.9 18.9 32.1 26 39 A N T 3 S+ 0 0 151 -3,-0.3 -1,-0.3 -4,-0.3 -2,-0.1 0.100 86.9 141.1-110.5 21.4 11.9 17.0 33.4 27 40 A A < - 0 0 20 -3,-1.9 2,-0.4 1,-0.1 20,-0.1 -0.332 57.2-112.3 -68.2 145.5 14.0 16.7 30.3 28 41 A D > - 0 0 77 1,-0.1 3,-1.6 4,-0.1 11,-0.2 -0.641 18.1-143.2 -76.8 127.0 17.8 17.1 30.4 29 42 A D T 3 S+ 0 0 73 -2,-0.4 11,-0.4 1,-0.3 10,-0.2 0.485 98.2 59.0 -72.6 -0.4 18.8 20.2 28.6 30 43 A T T 3 S+ 0 0 117 9,-0.1 -1,-0.3 8,-0.1 2,-0.2 0.382 96.4 78.2-104.6 0.4 22.0 18.5 27.2 31 44 A S S < S- 0 0 48 -3,-1.6 8,-0.5 0, 0.0 2,-0.4 -0.592 81.0-118.5-103.0 168.3 19.9 15.8 25.5 32 45 A T - 0 0 135 -2,-0.2 5,-0.1 6,-0.1 6,-0.1 -0.920 22.6-161.5-111.8 135.3 18.0 16.1 22.2 33 46 A V > - 0 0 11 -2,-0.4 3,-1.9 3,-0.4 -9,-0.0 -0.926 29.3-104.1-116.2 137.0 14.3 15.6 22.0 34 47 A P T 3 S+ 0 0 98 0, 0.0 3,-0.1 0, 0.0 244,-0.0 -0.315 106.0 16.1 -58.0 136.4 12.3 14.8 18.8 35 48 A G T 3 S+ 0 0 19 1,-0.1 2,-0.4 243,-0.1 3,-0.1 0.417 107.4 95.7 83.1 -4.6 10.4 17.9 17.6 36 49 A L < - 0 0 14 -3,-1.9 -3,-0.4 1,-0.1 3,-0.2 -0.978 59.3-155.1-124.4 133.8 12.4 20.4 19.6 37 50 A M S S+ 0 0 18 -2,-0.4 2,-0.3 1,-0.3 -1,-0.1 0.891 89.5 2.4 -67.5 -38.5 15.4 22.4 18.5 38 51 A H - 0 0 63 1,-0.1 3,-0.3 -3,-0.1 -1,-0.3 -0.983 53.2-144.2-150.9 136.0 16.5 22.7 22.2 39 52 A V S S+ 0 0 3 -8,-0.5 7,-1.3 -2,-0.3 2,-0.6 0.908 112.4 37.1 -63.1 -37.2 15.1 21.3 25.5 40 53 A R E S-G 45 0B 97 -11,-0.4 2,-0.9 5,-0.2 -1,-0.3 -0.930 83.0-162.9-117.8 104.1 16.3 24.7 26.7 41 54 A F E > -G 44 0B 0 3,-2.6 3,-1.9 -2,-0.6 -3,-0.0 -0.779 67.9 -46.6 -88.3 104.3 15.7 27.4 24.0 42 55 A G T 3 S- 0 0 28 -2,-0.9 286,-0.1 1,-0.3 244,-0.1 -0.552 127.3 -21.5 66.8-126.0 17.9 30.3 25.0 43 56 A P T 3 S+ 0 0 78 0, 0.0 2,-0.6 0, 0.0 -1,-0.3 0.685 121.0 99.2 -87.7 -14.6 17.3 30.7 28.8 44 57 A Y E < -G 41 0B 14 -3,-1.9 -3,-2.6 241,-0.1 2,-0.1 -0.630 53.9-164.0 -87.5 113.2 13.9 28.9 28.6 45 58 A H E > -G 40 0B 15 -2,-0.6 3,-2.0 -5,-0.3 4,-0.4 -0.486 39.7-107.8 -80.1 156.4 13.5 25.2 29.5 46 59 A V G > S+ 0 0 0 -7,-1.3 3,-2.1 1,-0.3 -21,-0.1 0.906 122.1 60.6 -50.9 -41.7 10.3 23.6 28.3 47 60 A R G 3 S+ 0 0 42 -23,-0.3 -1,-0.3 1,-0.3 -22,-0.1 0.688 88.7 70.4 -60.9 -20.9 9.2 23.6 31.9 48 61 A D G < S+ 0 0 24 -3,-2.0 -45,-3.5 -46,-0.1 2,-0.8 0.639 75.0 100.2 -72.8 -11.7 9.5 27.4 32.0 49 62 A V E < -a 3 0A 5 -3,-2.1 2,-0.5 -4,-0.4 -45,-0.2 -0.667 56.4-177.5 -78.5 111.6 6.4 27.4 29.7 50 63 A K E -a 4 0A 60 -47,-2.3 -45,-3.7 -2,-0.8 2,-0.7 -0.945 23.3-138.1-115.1 129.4 3.5 28.2 32.0 51 64 A F E +a 5 0A 29 -2,-0.5 -45,-0.2 -47,-0.2 3,-0.1 -0.756 32.2 162.2 -87.4 117.6 -0.1 28.3 30.8 52 65 A V E + 0 0 26 -47,-3.0 2,-0.3 -2,-0.7 -46,-0.2 0.508 59.1 11.2-114.3 -8.0 -1.8 31.3 32.5 53 66 A A E -a 6 0A 1 -48,-1.2 -46,-2.1 35,-0.1 2,-0.3 -0.980 54.3-174.2-165.8 157.5 -4.9 31.9 30.4 54 67 A A E -a 7 0A 0 35,-0.4 37,-2.7 -2,-0.3 2,-0.4 -0.986 8.2-154.7-156.8 152.0 -7.1 30.4 27.6 55 68 A F E +ac 8 91A 0 -48,-2.8 -46,-2.9 -2,-0.3 -45,-0.3 -0.991 22.5 147.4-134.7 139.6 -10.0 31.4 25.5 56 69 A D E - c 0 92A 18 35,-2.3 37,-2.3 -2,-0.4 -2,-0.0 -0.883 38.2-141.1-153.0-175.5 -12.7 29.3 23.7 57 70 A V + 0 0 16 -2,-0.3 53,-3.0 35,-0.2 2,-0.3 0.401 63.2 111.1-133.3 -6.6 -16.4 29.4 22.7 58 71 A D B >> -H 109 0C 3 51,-0.2 4,-2.6 1,-0.1 3,-2.2 -0.579 65.5-137.0 -78.3 132.2 -17.5 25.9 23.3 59 72 A A T 34 S+ 0 0 38 49,-3.1 -1,-0.1 -2,-0.3 50,-0.1 0.741 105.3 56.3 -59.0 -24.3 -20.0 25.3 26.2 60 73 A K T 34 S+ 0 0 122 48,-0.3 -1,-0.3 1,-0.1 13,-0.1 0.405 117.4 32.8 -90.1 3.9 -18.0 22.2 27.2 61 74 A K T X4 S+ 0 0 1 -3,-2.2 3,-2.2 11,-0.1 29,-0.4 0.688 92.9 87.5-123.0 -47.5 -14.8 24.2 27.5 62 75 A V T 3< S+ 0 0 18 -4,-2.6 29,-0.2 1,-0.3 3,-0.1 -0.366 100.8 20.5 -59.4 130.7 -15.5 27.8 28.7 63 76 A G T 3 S+ 0 0 50 27,-3.1 -1,-0.3 1,-0.3 2,-0.3 0.290 103.8 109.6 92.5 -11.5 -15.7 27.9 32.5 64 77 A F S < S- 0 0 97 -3,-2.2 26,-2.7 26,-0.1 -1,-0.3 -0.682 79.5 -97.4 -99.0 153.6 -13.6 24.7 32.8 65 78 A D B >> -I 89 0D 20 -2,-0.3 4,-2.8 24,-0.2 3,-1.7 -0.378 35.7-117.7 -63.8 144.3 -10.0 24.3 34.1 66 79 A L H 3> S+ 0 0 0 22,-2.5 4,-2.2 1,-0.3 5,-0.2 0.869 113.5 63.0 -51.9 -40.5 -7.6 24.2 31.2 67 80 A S H 34 S+ 0 0 5 1,-0.2 -1,-0.3 2,-0.2 16,-0.2 0.753 113.1 34.3 -59.1 -26.4 -6.6 20.6 32.3 68 81 A D H X4 S+ 0 0 97 -3,-1.7 3,-2.1 2,-0.1 -2,-0.2 0.838 111.0 61.6 -93.8 -43.1 -10.1 19.4 31.6 69 82 A A H >< S+ 0 0 0 -4,-2.8 3,-1.4 1,-0.3 -2,-0.2 0.817 95.7 62.0 -53.9 -34.5 -10.9 21.6 28.6 70 83 A I T 3< S+ 0 0 1 -4,-2.2 -1,-0.3 1,-0.3 -55,-0.1 0.699 110.6 39.9 -67.5 -17.0 -8.0 20.1 26.6 71 84 A F T < S+ 0 0 80 -3,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.198 102.2 102.0-114.2 14.8 -9.8 16.7 26.8 72 85 A A S X S- 0 0 22 -3,-1.4 3,-2.1 -4,-0.2 -11,-0.1 -0.444 73.4 -4.4-100.1 170.8 -13.3 18.0 26.3 73 86 A S T 3 S- 0 0 32 1,-0.3 -62,-0.0 -13,-0.1 34,-0.0 -0.248 129.1 -14.9 54.1-126.8 -15.8 18.2 23.5 74 87 A E T 3 S+ 0 0 77 2,-0.0 -1,-0.3 146,-0.0 147,-0.2 0.445 96.0 128.2 -88.6 0.3 -14.4 16.9 20.2 75 88 A N < + 0 0 21 -3,-2.1 -64,-0.0 -6,-0.2 145,-0.0 -0.331 22.1 155.8 -56.1 136.5 -10.8 16.9 21.3 76 89 A N + 0 0 35 2,-0.1 168,-1.2 167,-0.0 -1,-0.1 0.121 12.1 137.4-156.5 28.8 -9.4 13.5 20.6 77 90 A T - 0 0 17 166,-0.2 2,-0.1 1,-0.1 166,-0.0 -0.289 66.1 -74.9 -77.9 168.7 -5.6 13.6 20.1 78 91 A I - 0 0 65 1,-0.1 2,-0.7 2,-0.0 -1,-0.1 -0.368 44.9-127.7 -64.5 136.3 -3.3 10.9 21.6 79 92 A K + 0 0 115 1,-0.2 3,-0.1 -3,-0.1 -1,-0.1 -0.787 37.9 162.0 -91.1 115.0 -2.7 11.2 25.3 80 93 A I + 0 0 70 -2,-0.7 2,-0.3 1,-0.3 -1,-0.2 0.588 64.3 18.2-105.1 -15.3 1.0 11.3 26.1 81 94 A A S S- 0 0 18 2,-0.0 -1,-0.3 0, 0.0 2,-0.2 -0.985 72.5-112.7-159.2 145.8 0.8 12.7 29.6 82 95 A D - 0 0 126 -2,-0.3 2,-0.5 -3,-0.1 -15,-0.0 -0.523 30.5-150.7 -73.4 142.8 -1.5 13.3 32.6 83 96 A V - 0 0 21 -2,-0.2 3,-0.1 -16,-0.2 -64,-0.1 -0.944 6.8-145.6-123.4 111.5 -2.2 17.0 33.2 84 97 A A - 0 0 67 -2,-0.5 -17,-0.1 1,-0.2 -16,-0.0 -0.265 44.6 -70.1 -69.6 157.9 -3.0 18.1 36.8 85 98 A P - 0 0 96 0, 0.0 -1,-0.2 0, 0.0 -20,-0.0 -0.193 43.2-166.3 -48.8 136.0 -5.5 20.9 37.5 86 99 A T - 0 0 39 2,-0.2 3,-0.1 -3,-0.1 -2,-0.1 0.599 27.0-132.5-101.1 -17.1 -3.9 24.2 36.4 87 100 A N + 0 0 141 1,-0.3 2,-0.7 0, 0.0 -22,-0.0 0.600 67.5 128.5 71.6 10.8 -6.4 26.5 38.1 88 101 A V - 0 0 18 -35,-0.1 -22,-2.5 -37,-0.0 2,-0.5 -0.894 50.4-151.3 -99.1 115.4 -6.6 28.4 34.8 89 102 A I B -I 65 0D 85 -2,-0.7 -35,-0.4 -24,-0.2 2,-0.3 -0.778 18.5-117.3 -92.8 127.8 -10.3 28.8 33.9 90 103 A V - 0 0 2 -26,-2.7 -27,-3.1 -2,-0.5 -35,-0.2 -0.435 33.6-147.5 -64.6 123.8 -11.1 29.0 30.2 91 104 A Q E -c 55 0A 62 -37,-2.7 -35,-2.3 -2,-0.3 2,-0.7 -0.550 18.8-101.3 -94.8 159.8 -12.7 32.3 29.4 92 105 A R E -c 56 0A 25 21,-0.3 23,-2.9 -37,-0.2 -35,-0.2 -0.685 39.4-170.0 -82.5 114.6 -15.3 33.2 26.8 93 106 A G - 0 0 0 -37,-2.3 2,-0.3 -2,-0.7 23,-0.1 -0.582 37.0 -85.6 -97.7 166.2 -13.8 34.8 23.7 94 107 A P - 0 0 24 0, 0.0 3,-0.1 0, 0.0 4,-0.1 -0.566 33.2-148.2 -71.8 131.5 -15.8 36.5 20.9 95 108 A T > + 0 0 27 -2,-0.3 3,-2.6 1,-0.2 4,-0.1 0.926 38.5 152.2 -67.2 -45.7 -16.8 33.8 18.3 96 109 A L T 3 S- 0 0 74 1,-0.3 3,-0.4 2,-0.1 -1,-0.2 -0.265 80.7 -23.8 49.1-126.0 -16.7 36.1 15.3 97 110 A D T 3 S+ 0 0 57 1,-0.2 -1,-0.3 -3,-0.1 41,-0.2 0.030 109.5 105.2-104.6 29.7 -15.9 33.8 12.3 98 111 A G S < S+ 0 0 8 -3,-2.6 2,-0.5 1,-0.2 -1,-0.2 0.600 71.5 61.9 -83.7 -9.6 -14.3 31.0 14.3 99 112 A I - 0 0 32 -3,-0.4 -1,-0.2 -4,-0.1 -4,-0.0 -0.876 67.7-172.0-124.3 101.8 -17.2 28.6 14.1 100 113 A G > - 0 0 18 -2,-0.5 4,-3.3 -3,-0.1 5,-0.2 -0.074 44.1 -85.1 -78.6-176.0 -18.4 27.4 10.6 101 114 A K H > S+ 0 0 137 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.907 127.0 48.4 -57.1 -48.6 -21.5 25.4 9.7 102 115 A Y H 4 S+ 0 0 95 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.909 116.2 43.7 -61.3 -43.2 -19.9 22.0 10.4 103 116 A Y H >> S+ 0 0 29 1,-0.2 4,-2.7 2,-0.2 3,-1.8 0.960 112.0 52.6 -66.7 -50.5 -18.6 23.1 13.8 104 117 A A H 3< S+ 0 0 41 -4,-3.3 -2,-0.2 1,-0.3 -1,-0.2 0.842 109.4 50.0 -54.4 -36.3 -21.8 24.9 14.7 105 118 A D T 3< S+ 0 0 139 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.630 115.0 45.9 -78.7 -11.1 -23.7 21.7 14.0 106 119 A T T <4 S+ 0 0 56 -3,-1.8 2,-0.2 -4,-0.5 -2,-0.2 0.791 115.5 32.6 -99.4 -36.2 -21.3 19.8 16.1 107 120 A I S < S- 0 0 16 -4,-2.7 2,-0.5 -5,-0.1 -1,-0.1 -0.752 70.1-123.1-121.6 169.3 -20.9 21.9 19.3 108 121 A E - 0 0 156 -2,-0.2 -49,-3.1 -3,-0.1 -48,-0.3 -0.948 31.2-124.0-111.4 127.2 -23.0 24.2 21.4 109 122 A L B -H 58 0C 75 -2,-0.5 -51,-0.2 -51,-0.2 2,-0.0 -0.433 34.5 -98.6 -71.2 143.9 -21.7 27.8 22.0 110 123 A S - 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0 0 9 0, 0.0 3,-0.1 0, 0.0 -127,-0.1 -0.349 47.4-108.7 -81.8 163.9 6.6 33.4 6.8 311 349 A P S S+ 0 0 34 0, 0.0 2,-0.4 0, 0.0 -11,-0.1 0.901 108.8 22.4 -56.8 -43.2 7.2 37.1 6.2 312 350 A E S S- 0 0 126 -12,-0.2 2,-0.2 2,-0.0 -147,-0.0 -0.994 83.9-127.4-133.1 129.9 10.3 36.2 4.2 313 351 A Q + 0 0 137 -2,-0.4 -9,-0.1 -3,-0.1 -8,-0.1 -0.525 34.3 165.9 -76.4 135.5 11.1 32.8 2.5 314 352 A L - 0 0 51 -10,-0.2 -2,-0.0 -2,-0.2 5,-0.0 -0.992 44.8 -93.4-149.4 143.3 14.5 31.2 3.4 315 353 A P > - 0 0 74 0, 0.0 4,-3.1 0, 0.0 3,-0.3 -0.309 43.6-116.4 -56.0 140.0 15.9 27.7 2.8 316 354 A D H > S+ 0 0 65 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.877 112.1 48.0 -46.9 -51.2 15.2 25.6 5.9 317 355 A D H > S+ 0 0 118 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.889 115.2 45.1 -62.0 -38.9 18.9 25.1 6.9 318 356 A I H > S+ 0 0 83 -3,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.920 114.4 48.5 -69.1 -42.8 19.7 28.8 6.4 319 357 A A H X S+ 0 0 0 -4,-3.1 4,-1.9 1,-0.2 -14,-0.3 0.875 112.0 51.6 -62.7 -35.8 16.6 29.8 8.3 320 358 A R H X S+ 0 0 85 -4,-2.7 4,-1.9 -5,-0.3 -2,-0.2 0.912 110.2 46.9 -67.2 -44.6 17.7 27.3 11.0 321 359 A A H X S+ 0 0 54 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.889 111.6 51.2 -65.6 -40.0 21.2 28.7 11.3 322 360 A Q H X S+ 0 0 68 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.882 109.5 51.2 -65.6 -34.7 19.8 32.2 11.5 323 361 A L H X S+ 0 0 0 -4,-1.9 4,-2.1 -22,-0.3 -2,-0.2 0.868 106.3 54.1 -70.1 -35.4 17.5 31.1 14.2 324 362 A E H X S+ 0 0 51 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.883 109.6 47.9 -65.6 -36.4 20.4 29.5 16.1 325 363 A E H X S+ 0 0 136 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.891 108.5 54.4 -70.0 -39.0 22.2 32.9 16.0 326 364 A F H < S+ 0 0 32 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.916 106.2 53.4 -58.6 -44.6 19.1 34.7 17.1 327 365 A I H < S+ 0 0 16 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.932 110.7 43.9 -57.9 -49.9 18.9 32.4 20.2 328 366 A I H < 0 0 147 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.846 360.0 360.0 -64.7 -31.6 22.5 33.1 21.2 329 367 A G < 0 0 91 -4,-2.1 -3,-0.2 -5,-0.2 -2,-0.1 0.454 360.0 360.0 83.9 360.0 21.7 36.8 20.5