==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 08-NOV-11 3UJN . COMPND 2 MOLECULE: PHOSPHORIBOSYLFORMYLGLYCINAMIDINE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA ENTERICA SUBSP. ENTERICA SE . AUTHOR R.ANAND,M.MORAR,A.S.TANWAR,S.PANJIKAR . 1286 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41298.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 890 69.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 57 4.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 232 18.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 102 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 138 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 299 23.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 1.6 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 7 2 4 0 2 3 6 6 0 3 0 1 2 1 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 1 5 0 2 1 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 . 8 5 5 7 4 3 2 3 2 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 1 1 0 3 2 0 0 0 1 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 -7 A G 0 0 49 0, 0.0 48,-0.1 0, 0.0 8,-0.0 0.000 360.0 360.0 360.0 125.8 35.9 -68.0 -32.7 2 -6 A L + 0 0 110 9,-0.1 3,-0.2 7,-0.1 9,-0.2 0.021 360.0 156.8-147.5 24.7 34.8 -71.7 -33.1 3 -5 A V E -A 10 0A 49 7,-0.7 7,-1.1 1,-0.2 0, 0.0 -0.316 58.7 -73.2 -59.6 128.4 37.9 -73.2 -31.2 4 -4 A P E +A 9 0A 109 0, 0.0 -1,-0.2 0, 0.0 5,-0.1 0.095 60.5 157.7 -32.4 116.1 37.1 -76.8 -29.8 5 -3 A R E > -A 8 0A 20 3,-0.9 3,-1.9 1,-0.2 2,-0.4 -0.519 58.6 -91.1-145.2 69.6 34.8 -76.9 -26.8 6 -2 A G T 3 S- 0 0 80 1,-0.3 -1,-0.2 -2,-0.1 153,-0.0 -0.460 98.8 -22.3 64.1-113.7 33.1 -80.4 -26.4 7 -1 A S T 3 S+ 0 0 95 -2,-0.4 -1,-0.3 -3,-0.1 2,-0.2 0.392 133.7 69.4-104.0 -8.5 29.7 -80.4 -28.3 8 0 A H E < S-A 5 0A 27 -3,-1.9 -3,-0.9 104,-0.0 2,-0.4 -0.485 78.4-123.7-104.0 174.0 29.6 -76.5 -28.1 9 1 A M E -AB 4 51A 79 42,-2.1 42,-3.1 -2,-0.2 2,-0.6 -0.986 10.2-142.3-126.1 137.8 31.7 -73.7 -29.7 10 2 A M E -AB 3 50A 0 -7,-1.1 -7,-0.7 -2,-0.4 2,-0.5 -0.868 19.9-159.9-101.3 119.2 33.6 -70.9 -27.9 11 3 A E E - B 0 49A 10 38,-2.5 38,-2.3 -2,-0.6 2,-0.7 -0.887 8.0-152.6-108.1 127.0 33.4 -67.5 -29.8 12 4 A I E + B 0 48A 44 -2,-0.5 2,-0.5 36,-0.2 36,-0.2 -0.839 20.1 174.0 -98.3 109.4 35.8 -64.6 -29.3 13 5 A L E - B 0 47A 12 34,-2.2 34,-3.1 -2,-0.7 -2,-0.0 -0.972 25.4-129.8-117.6 128.1 34.2 -61.2 -30.0 14 6 A R E - B 0 46A 200 -2,-0.5 2,-0.2 32,-0.2 32,-0.2 -0.237 25.9-168.4 -71.3 161.1 36.2 -57.9 -29.4 15 7 A G E - 0 0 15 30,-1.4 53,-0.1 1,-0.2 3,-0.1 -0.744 27.7 -67.9-137.3-173.0 34.7 -55.0 -27.4 16 8 A S E - 0 0 42 -2,-0.2 29,-2.5 53,-0.2 2,-0.2 -0.149 67.8 -71.0 -76.3 165.3 35.3 -51.3 -26.6 17 9 A P E - B 0 44A 14 0, 0.0 27,-0.3 0, 0.0 56,-0.2 -0.470 41.0-153.3 -62.8 133.5 38.2 -49.9 -24.4 18 10 A A + 0 0 20 25,-0.8 2,-0.4 101,-0.2 26,-0.2 0.760 69.7 51.5 -78.2 -32.7 37.7 -50.9 -20.7 19 11 A L S S- 0 0 37 24,-0.5 2,-0.4 2,-0.0 24,-0.2 -0.947 70.4-139.9-118.6 135.0 39.6 -48.1 -18.9 20 12 A S > - 0 0 36 -2,-0.4 3,-3.4 1,-0.0 4,-0.4 -0.755 41.6 -85.8 -97.4 132.6 39.3 -44.3 -19.3 21 13 A A T 3> S+ 0 0 74 -2,-0.4 4,-2.1 1,-0.3 5,-0.1 0.276 124.1 45.2 12.4 -68.6 42.3 -41.9 -19.2 22 14 A F H 3> S+ 0 0 29 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.732 109.5 56.9 -65.8 -30.1 42.7 -41.4 -15.4 23 15 A R H <> S+ 0 0 52 -3,-3.4 4,-1.6 2,-0.2 -1,-0.2 0.870 110.4 44.3 -68.3 -39.9 42.3 -45.1 -14.7 24 16 A I H > S+ 0 0 28 -4,-0.4 4,-2.2 2,-0.2 -2,-0.2 0.891 113.0 51.2 -71.4 -40.5 45.3 -45.8 -17.1 25 17 A N H X S+ 0 0 108 -4,-2.1 4,-1.2 1,-0.2 -2,-0.2 0.767 110.6 49.1 -68.5 -26.5 47.3 -42.9 -15.6 26 18 A K H X S+ 0 0 45 -4,-1.3 4,-1.4 2,-0.2 -1,-0.2 0.839 110.2 51.1 -79.5 -37.7 46.6 -44.3 -12.0 27 19 A L H X S+ 0 0 16 -4,-1.6 4,-1.5 2,-0.2 -2,-0.2 0.887 110.9 47.7 -65.8 -42.1 47.7 -47.8 -13.1 28 20 A L H X S+ 0 0 24 -4,-2.2 4,-2.1 1,-0.2 10,-0.2 0.881 112.4 49.8 -66.5 -37.2 51.0 -46.5 -14.6 29 21 A A H X S+ 0 0 53 -4,-1.2 4,-1.3 1,-0.2 -2,-0.2 0.779 110.5 50.7 -71.3 -27.5 51.6 -44.4 -11.4 30 22 A R H < S+ 0 0 126 -4,-1.4 -1,-0.2 2,-0.2 -2,-0.2 0.779 110.3 49.4 -80.9 -27.1 50.9 -47.6 -9.3 31 23 A F H ><>S+ 0 0 0 -4,-1.5 5,-1.9 2,-0.1 3,-1.4 0.888 107.4 53.6 -78.0 -40.6 53.4 -49.6 -11.4 32 24 A Q H ><5S+ 0 0 134 -4,-2.1 3,-2.1 1,-0.3 -2,-0.2 0.946 103.4 56.6 -58.6 -47.4 56.2 -47.0 -11.1 33 25 A A T 3<5S+ 0 0 94 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.1 0.185 106.9 50.9 -73.8 18.1 55.9 -47.0 -7.3 34 26 A A T < 5S- 0 0 40 -3,-1.4 -1,-0.3 2,-0.1 -2,-0.2 0.145 118.9-106.1-137.5 13.6 56.6 -50.8 -7.3 35 27 A N T < 5S+ 0 0 145 -3,-2.1 2,-0.6 1,-0.2 -3,-0.2 0.844 76.6 136.3 57.6 40.5 59.8 -50.7 -9.5 36 28 A L < - 0 0 3 -5,-1.9 2,-1.5 -4,-0.1 -1,-0.2 -0.899 49.8-145.6-116.6 94.9 57.9 -52.1 -12.6 37 29 A Q + 0 0 152 -2,-0.6 2,-0.6 89,-0.2 -5,-0.1 -0.458 30.7 166.8 -68.2 86.7 59.0 -50.0 -15.6 38 30 A V - 0 0 11 -2,-1.5 86,-0.2 -10,-0.2 3,-0.1 -0.938 18.6-172.8-107.4 116.3 55.8 -50.0 -17.6 39 31 A H - 0 0 119 84,-1.1 2,-0.3 -2,-0.6 85,-0.2 0.874 68.5 -6.8 -75.1 -43.8 55.7 -47.5 -20.5 40 32 A N E - C 0 123A 58 83,-1.8 83,-2.2 2,-0.0 2,-0.3 -0.984 55.8-164.3-155.5 152.7 52.1 -47.8 -21.6 41 33 A I E - C 0 122A 2 -2,-0.3 2,-0.4 81,-0.2 81,-0.2 -0.993 4.4-173.0-141.8 135.4 49.1 -50.0 -20.8 42 34 A Y E - C 0 121A 10 79,-1.2 79,-3.1 -2,-0.3 2,-0.4 -1.000 8.6-157.4-132.5 131.5 45.8 -50.4 -22.9 43 35 A A E - C 0 120A 1 -2,-0.4 -25,-0.8 77,-0.2 -24,-0.5 -0.892 10.4-177.8-111.5 142.7 42.8 -52.3 -21.7 44 36 A E E -BC 17 119A 28 75,-2.5 75,-3.4 -2,-0.4 2,-0.3 -0.999 26.0-124.6-142.3 136.5 40.1 -53.8 -23.9 45 37 A Y E - C 0 118A 60 -29,-2.5 -30,-1.4 -2,-0.3 2,-0.4 -0.640 29.2-169.7 -79.4 135.9 36.9 -55.7 -23.1 46 38 A V E -BC 14 117A 7 71,-2.3 71,-1.6 -2,-0.3 2,-0.3 -0.997 8.2-145.9-134.4 128.3 36.7 -59.1 -24.9 47 39 A H E -BC 13 116A 1 -34,-3.1 -34,-2.2 -2,-0.4 2,-0.4 -0.681 4.5-158.3 -96.5 147.0 33.6 -61.3 -25.0 48 40 A F E -BC 12 115A 0 67,-2.8 67,-2.6 -2,-0.3 2,-0.5 -0.994 6.9-166.3-127.9 121.7 33.3 -65.0 -25.0 49 41 A A E -BC 11 114A 0 -38,-2.3 -38,-2.5 -2,-0.4 2,-0.8 -0.943 9.3-158.1-117.3 116.8 30.2 -66.9 -26.4 50 42 A D E -BC 10 113A 3 63,-2.7 62,-3.0 -2,-0.5 63,-1.3 -0.820 20.6-165.6 -90.5 107.5 29.5 -70.6 -25.7 51 43 A L E -BC 9 111A 4 -42,-3.1 -42,-2.1 -2,-0.8 60,-0.2 -0.871 20.0-171.6-101.9 133.7 27.2 -71.7 -28.5 52 44 A N S S+ 0 0 65 58,-2.8 59,-0.1 -2,-0.4 -1,-0.1 0.844 77.7 23.5 -86.7 -38.2 25.2 -74.9 -28.5 53 45 A A S S- 0 0 42 57,-0.7 -44,-0.1 1,-0.1 59,-0.1 -0.591 101.5 -78.1-118.2 173.3 23.8 -74.9 -32.0 54 46 A P - 0 0 116 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.368 37.6-134.2 -75.5 167.3 25.2 -73.0 -35.2 55 47 A L - 0 0 31 -2,-0.1 2,-0.1 -4,-0.1 53,-0.0 -0.976 14.8-147.1-124.4 119.3 24.7 -69.3 -35.8 56 48 A N > - 0 0 87 -2,-0.5 4,-2.6 1,-0.1 5,-0.2 -0.330 33.9 -94.3 -80.7 169.1 23.6 -67.9 -39.3 57 49 A D H > S+ 0 0 149 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.833 124.7 46.3 -48.1 -46.4 24.7 -64.5 -40.8 58 50 A S H > S+ 0 0 73 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.929 117.1 45.0 -65.5 -42.9 21.6 -62.6 -39.6 59 51 A E H > S+ 0 0 39 2,-0.2 4,-1.4 1,-0.2 -2,-0.2 0.781 110.9 53.9 -72.3 -28.5 22.0 -64.1 -36.1 60 52 A Q H X S+ 0 0 54 -4,-2.6 4,-2.2 2,-0.2 3,-0.3 0.936 108.7 48.2 -71.6 -42.9 25.8 -63.5 -36.2 61 53 A A H X S+ 0 0 62 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.836 110.3 54.1 -65.0 -32.6 25.3 -59.7 -37.0 62 54 A Q H X S+ 0 0 35 -4,-1.5 4,-1.0 2,-0.2 -1,-0.2 0.825 107.8 48.0 -72.4 -32.7 22.7 -59.7 -34.1 63 55 A L H X S+ 0 0 0 -4,-1.4 4,-1.6 -3,-0.3 3,-0.3 0.901 111.1 51.0 -74.3 -39.0 25.2 -61.1 -31.6 64 56 A T H < S+ 0 0 54 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.887 110.0 51.1 -64.9 -35.3 27.9 -58.6 -32.7 65 57 A R H >< S+ 0 0 82 -4,-1.8 3,-0.6 1,-0.2 -1,-0.2 0.717 105.9 53.1 -75.9 -24.3 25.3 -55.7 -32.3 66 58 A L H 3< S+ 0 0 1 -4,-1.0 -1,-0.2 -3,-0.3 -2,-0.2 0.862 108.8 52.1 -75.7 -34.3 24.3 -56.8 -28.7 67 59 A L T 3< S+ 0 0 5 -4,-1.6 2,-0.7 -5,-0.1 -1,-0.2 0.181 86.2 94.5 -88.0 13.5 28.0 -56.7 -27.7 68 60 A Q < + 0 0 118 -3,-0.6 2,-0.2 1024,-0.1 -53,-0.1 -0.910 62.9 114.5-107.9 100.9 28.6 -53.2 -29.1 69 61 A Y + 0 0 28 -2,-0.7 -53,-0.2 2,-0.1 1024,-0.1 -0.880 29.0 46.5-152.5-173.8 28.2 -50.8 -26.1 70 62 A G S S- 0 0 10 -2,-0.2 2,-0.1 1079,-0.1 1120,-0.0 -0.156 93.9 -6.6 67.3-164.6 29.5 -48.3 -23.5 71 63 A P - 0 0 33 0, 0.0 2,-1.8 0, 0.0 -2,-0.1 -0.400 63.2-127.9 -65.8 136.7 31.7 -45.2 -24.1 72 64 A A + 0 0 67 -2,-0.1 2,-0.2 -56,-0.1 -2,-0.1 -0.448 45.5 168.6 -82.7 60.8 33.0 -44.8 -27.7 73 65 A L - 0 0 63 -2,-1.8 2,-0.1 -56,-0.2 -53,-0.0 -0.520 46.8 -89.8 -75.6 143.8 36.6 -44.4 -26.5 74 66 A S - 0 0 105 -2,-0.2 2,-0.2 -58,-0.1 -1,-0.1 -0.361 44.1-136.3 -59.8 122.6 39.3 -44.5 -29.2 75 67 A S - 0 0 88 -2,-0.1 2,-0.3 -3,-0.1 -1,-0.1 -0.608 12.6-145.5 -83.2 142.1 40.5 -48.1 -29.7 76 68 A H - 0 0 101 -2,-0.2 3,-0.0 3,-0.0 -34,-0.0 -0.784 23.9-106.8-105.4 155.6 44.2 -48.9 -30.1 77 69 A T - 0 0 132 -2,-0.3 0, 0.0 1,-0.1 0, 0.0 -0.719 53.3 -98.5 -80.4 122.0 45.8 -51.7 -32.2 78 70 A P + 0 0 70 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.199 53.9 169.3 -46.5 122.7 46.9 -54.4 -29.7 79 71 A A + 0 0 41 2,-0.1 2,-0.2 -37,-0.1 -37,-0.2 -0.994 37.5 6.8-143.5 134.8 50.6 -54.2 -28.9 80 72 A G S S- 0 0 55 -2,-0.3 43,-0.2 43,-0.1 2,-0.2 -0.492 101.3 -7.3 97.7-165.9 52.8 -55.9 -26.3 81 73 A K E -D 122 0A 100 41,-2.3 41,-2.4 -2,-0.2 2,-0.4 -0.455 62.6-135.2 -73.2 133.2 52.1 -58.7 -23.8 82 74 A L E +D 121 0A 36 67,-0.2 2,-0.4 39,-0.2 39,-0.2 -0.768 23.1 178.4 -92.0 128.7 48.6 -59.9 -23.4 83 75 A L E -D 120 0A 11 37,-2.2 37,-2.7 -2,-0.4 2,-0.5 -0.950 13.3-159.7-131.3 105.6 47.2 -60.5 -19.9 84 76 A L E -DE 119 148A 0 64,-2.8 64,-3.2 -2,-0.4 2,-0.6 -0.837 3.1-161.5 -94.3 124.9 43.6 -61.6 -19.9 85 77 A V E +DE 118 147A 2 33,-2.9 33,-2.6 -2,-0.5 62,-0.2 -0.919 24.6 153.2-109.4 110.7 41.6 -61.2 -16.7 86 78 A T E - E 0 146A 0 60,-1.7 60,-2.4 -2,-0.6 31,-0.1 -0.757 51.1 -81.6-125.5 166.8 38.5 -63.3 -16.6 87 79 A P E - E 0 145A 18 0, 0.0 58,-0.3 0, 0.0 -1,-0.1 -0.266 62.1 -79.6 -68.7 167.1 36.6 -64.6 -13.5 88 80 A R > - 0 0 76 56,-2.8 3,-1.2 1,-0.1 2,-0.1 -0.328 58.6 -95.5 -63.2 141.0 37.9 -67.8 -11.7 89 81 A P T 3 S+ 0 0 54 0, 0.0 68,-0.1 0, 0.0 -1,-0.1 -0.431 112.5 35.8 -62.4 140.2 36.9 -71.1 -13.5 90 82 A G T 3 S+ 0 0 46 1,-0.3 2,-0.4 67,-0.2 363,-0.3 0.470 100.1 105.9 93.8 6.5 33.8 -72.7 -12.2 91 83 A T < - 0 0 37 -3,-1.2 2,-0.5 -4,-0.1 -1,-0.3 -0.978 55.5-159.1-124.7 129.8 32.4 -69.3 -11.6 92 84 A I - 0 0 14 -2,-0.4 23,-0.0 -3,-0.1 -4,-0.0 -0.930 23.4-136.5-106.0 125.7 29.6 -67.6 -13.6 93 85 A S > - 0 0 20 -2,-0.5 4,-1.2 1,-0.1 3,-0.5 -0.482 19.2-114.1 -84.1 155.4 29.7 -63.8 -13.1 94 86 A P H > S+ 0 0 28 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.812 119.4 58.0 -57.6 -27.6 26.5 -61.5 -12.6 95 87 A W H > S+ 0 0 28 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.901 102.8 53.9 -65.5 -44.1 27.3 -60.0 -16.0 96 88 A S H > S+ 0 0 1 -3,-0.5 4,-1.2 2,-0.2 18,-0.6 0.799 107.3 48.9 -62.7 -33.8 27.1 -63.5 -17.6 97 89 A S H X S+ 0 0 20 -4,-1.2 4,-1.1 2,-0.2 -1,-0.2 0.917 116.9 41.5 -73.9 -41.3 23.6 -64.2 -16.3 98 90 A K H X S+ 0 0 10 -4,-1.7 4,-1.2 2,-0.2 -2,-0.2 0.783 113.8 50.6 -77.9 -30.8 22.2 -60.8 -17.4 99 91 A A H X S+ 0 0 0 -4,-2.5 4,-1.4 15,-0.2 -1,-0.2 0.847 110.6 49.5 -75.6 -34.6 23.9 -60.7 -20.8 100 92 A T H X S+ 0 0 11 -4,-1.2 4,-2.2 -5,-0.2 -2,-0.2 0.803 103.5 61.7 -73.0 -28.6 22.7 -64.3 -21.7 101 93 A D H X S+ 0 0 32 -4,-1.1 4,-1.6 1,-0.2 -2,-0.2 0.943 104.8 48.4 -59.4 -47.0 19.2 -63.2 -20.6 102 94 A I H < S+ 0 0 0 -4,-1.2 4,-0.5 2,-0.2 -2,-0.2 0.864 107.2 54.8 -61.7 -41.5 19.3 -60.6 -23.5 103 95 A A H ><>S+ 0 0 0 -4,-1.4 5,-2.8 1,-0.2 3,-1.1 0.942 110.8 45.8 -60.1 -45.2 20.5 -63.2 -26.0 104 96 A H H ><5S+ 0 0 72 -4,-2.2 3,-0.7 1,-0.3 -1,-0.2 0.777 112.8 49.4 -69.0 -31.1 17.5 -65.4 -25.2 105 97 A N T 3<5S+ 0 0 37 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.414 107.9 55.9 -89.2 1.2 15.1 -62.5 -25.3 106 98 A C T < 5S- 0 0 11 -3,-1.1 -1,-0.2 -4,-0.5 -2,-0.2 0.118 124.0-102.4-114.2 14.2 16.6 -61.4 -28.7 107 99 A G T < 5S+ 0 0 32 -3,-0.7 2,-0.9 1,-0.1 -3,-0.2 0.584 83.8 127.5 76.0 13.9 15.9 -64.8 -30.2 108 100 A L > < + 0 0 0 -5,-2.8 3,-1.2 -6,-0.2 -1,-0.1 -0.616 15.9 153.3-102.3 72.4 19.4 -66.2 -30.0 109 101 A Q T 3 + 0 0 107 -2,-0.9 -1,-0.2 1,-0.2 -57,-0.1 0.560 61.1 78.9 -75.3 -8.3 18.8 -69.5 -28.2 110 102 A Q T 3 S+ 0 0 31 -3,-0.2 -58,-2.8 -7,-0.1 -57,-0.7 0.668 75.1 92.0 -72.6 -16.8 21.9 -70.9 -29.8 111 103 A V E < +C 51 0A 0 -3,-1.2 -60,-0.2 -60,-0.2 3,-0.1 -0.726 51.0 179.1 -85.9 115.7 23.9 -69.0 -27.1 112 104 A D E - 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