==== 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 TRANSPORT PROTEIN 30-JAN-09 3G1W . COMPND 2 MOLECULE: SUGAR ABC TRANSPORTER; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS HALODURANS C-125; . AUTHOR Z.ZHANG,S.ESWARAMOORTHY,S.SWAMINATHAN,S.K.BURLEY,NEW YORK SG . 581 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24544.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 451 77.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 94 16.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 19 3.3 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 0.2 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 . 39 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 213 36.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.1 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 0 0 0 2 4 2 4 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 8 2 2 2 2 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 . 1 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 2 0 0 0 0 0 1 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 43 A E 0 0 104 0, 0.0 31,-2.6 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 96.7 24.2 68.1 46.0 2 44 A T E -a 32 0A 36 29,-0.2 57,-2.1 31,-0.0 58,-0.7 -0.967 360.0-156.1-126.4 132.1 22.9 66.5 49.3 3 45 A Y E -ab 33 60A 0 29,-3.0 31,-1.9 -2,-0.4 2,-0.4 -0.888 16.9-144.3-109.2 135.3 23.6 63.0 50.6 4 46 A X E -ab 34 61A 2 56,-3.0 58,-2.9 -2,-0.4 2,-0.5 -0.832 7.7-157.1-112.1 133.2 21.2 61.5 53.0 5 47 A X E -ab 35 62A 0 29,-2.8 31,-2.4 -2,-0.4 2,-0.5 -0.920 13.4-164.7-105.1 131.8 21.8 59.2 56.0 6 48 A I E +ab 36 63A 0 56,-3.0 58,-2.1 -2,-0.5 31,-0.3 -0.952 15.9 161.1-123.5 126.3 18.8 57.0 57.0 7 49 A T E -a 37 0A 0 29,-1.8 31,-1.5 -2,-0.5 2,-0.3 -0.460 31.0-122.2-123.2-172.0 18.6 55.2 60.4 8 50 A F S S+ 0 0 18 29,-0.2 4,-0.2 1,-0.2 33,-0.2 -0.925 95.9 22.5-130.7 160.6 16.2 53.6 62.9 9 51 A Q S > S- 0 0 61 31,-1.7 3,-2.2 29,-0.4 30,-0.3 0.958 89.5-168.2 45.1 48.5 15.6 54.5 66.5 10 52 A S T 3 + 0 0 27 28,-2.6 -1,-0.2 1,-0.3 29,-0.2 0.593 68.8 57.6 -51.8 -26.0 17.0 57.7 65.0 11 53 A G T 3 S+ 0 0 71 28,-0.4 -1,-0.3 27,-0.1 -2,-0.1 0.562 78.2 120.0 -82.9 -6.9 17.6 59.6 68.3 12 54 A X S X S- 0 0 75 -3,-2.2 3,-0.9 -4,-0.2 4,-0.3 -0.225 70.4-124.8 -60.5 145.2 19.9 56.9 69.7 13 55 A D T >> S+ 0 0 107 1,-0.2 3,-1.6 2,-0.2 4,-0.6 0.759 101.3 75.3 -62.4 -31.3 23.6 58.0 70.6 14 56 A Y H >> S+ 0 0 31 1,-0.3 3,-0.8 2,-0.2 4,-0.7 0.919 92.5 54.6 -49.9 -39.7 25.1 55.2 68.5 15 57 A W H <> S+ 0 0 6 -3,-0.9 4,-3.1 1,-0.2 -1,-0.3 0.686 87.4 80.4 -72.7 -13.4 24.3 57.2 65.3 16 58 A K H <> S+ 0 0 149 -3,-1.6 4,-1.9 -4,-0.3 -1,-0.2 0.889 95.9 42.5 -66.4 -35.6 26.1 60.3 66.4 17 59 A R H S+ 0 0 3 -4,-1.8 5,-2.4 2,-0.2 4,-0.7 0.831 109.9 49.3 -69.5 -32.6 31.0 65.9 53.2 27 69 A Q H ><5S+ 0 0 167 -4,-2.1 3,-1.2 1,-0.2 -1,-0.2 0.965 112.4 48.8 -68.1 -49.5 33.0 68.9 54.5 28 70 A A H 3<5S+ 0 0 70 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.853 118.1 40.1 -48.2 -41.2 36.1 67.4 52.9 29 71 A L H 3<5S- 0 0 55 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.487 108.1-123.0 -98.9 2.0 34.1 67.0 49.6 30 72 A N T <<5 + 0 0 153 -3,-1.2 2,-0.2 -4,-0.7 -3,-0.2 0.840 69.3 122.8 53.5 46.2 32.2 70.3 49.8 31 73 A V < - 0 0 18 -5,-2.4 2,-0.3 -8,-0.1 -1,-0.2 -0.763 59.0-107.8-125.3 172.6 28.7 68.7 49.7 32 74 A T E -a 2 0A 81 -31,-2.6 -29,-3.0 -2,-0.2 2,-0.3 -0.727 22.8-158.2-104.0 149.3 25.6 68.7 52.0 33 75 A V E -a 3 0A 32 -2,-0.3 2,-0.4 -31,-0.2 -29,-0.2 -0.901 2.7-162.6-122.2 152.4 24.1 66.0 54.2 34 76 A E E -a 4 0A 60 -31,-1.9 -29,-2.8 -2,-0.3 2,-0.4 -0.997 12.7-145.5-131.6 135.3 20.7 65.4 55.7 35 77 A Y E +a 5 0A 61 -2,-0.4 2,-0.3 -31,-0.2 -29,-0.2 -0.851 28.3 156.5-103.7 134.7 20.0 63.1 58.6 36 78 A R E +a 6 0A 93 -31,-2.4 -29,-1.8 -2,-0.4 2,-0.3 -0.937 2.9 148.3-146.9 164.0 16.8 61.1 58.8 37 79 A G E -a 7 0A 18 -2,-0.3 2,-0.3 -31,-0.3 -29,-0.2 -0.849 51.9 -79.7 174.1 157.5 15.4 57.9 60.4 38 80 A A - 0 0 0 -31,-1.5 -28,-2.6 -2,-0.3 -29,-0.4 -0.580 37.6-143.3 -56.6 125.0 12.4 56.1 61.9 39 81 A A S S+ 0 0 48 -2,-0.3 -28,-0.4 -30,-0.3 2,-0.2 0.842 82.2 43.1 -69.0 -29.4 12.1 57.5 65.5 40 82 A Q S S- 0 0 128 -31,-0.1 -31,-1.7 2,-0.1 2,-1.4 -0.478 100.5 -96.1-108.7 179.4 11.0 54.1 66.7 41 83 A Y S S+ 0 0 104 -33,-0.2 2,-0.4 -2,-0.2 -2,-0.1 -0.733 78.0 133.5 -91.5 79.3 12.2 50.6 66.1 42 84 A D > - 0 0 76 -2,-1.4 4,-1.5 1,-0.1 5,-0.1 -0.984 50.2-154.7-143.0 119.7 9.5 50.1 63.5 43 85 A I H > S+ 0 0 59 -2,-0.4 4,-2.8 1,-0.2 3,-0.2 0.904 96.7 49.3 -61.1 -49.7 9.9 48.6 60.0 44 86 A Q H > S+ 0 0 123 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.826 109.8 53.4 -64.9 -30.2 6.9 50.4 58.2 45 87 A E H > S+ 0 0 59 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.852 110.2 47.3 -71.6 -35.6 8.2 53.7 59.6 46 88 A Q H X S+ 0 0 0 -4,-1.5 4,-2.9 2,-0.2 5,-0.2 0.916 109.1 53.9 -74.0 -39.6 11.7 53.1 58.1 47 89 A I H X S+ 0 0 24 -4,-2.8 4,-2.9 1,-0.2 5,-0.2 0.926 109.4 48.8 -52.4 -45.7 10.1 52.1 54.9 48 90 A T H X S+ 0 0 61 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.894 111.3 49.4 -60.9 -45.4 8.2 55.5 54.9 49 91 A V H X S+ 0 0 15 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.943 114.0 44.6 -59.5 -47.4 11.4 57.4 55.6 50 92 A L H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 3,-0.3 0.948 112.5 51.5 -65.0 -48.4 13.3 55.6 52.8 51 93 A E H X S+ 0 0 65 -4,-2.9 4,-1.9 -5,-0.2 -1,-0.2 0.869 110.2 50.7 -49.8 -44.1 10.3 56.1 50.4 52 94 A Q H X S+ 0 0 117 -4,-2.1 4,-0.7 -5,-0.2 -1,-0.2 0.831 109.2 51.3 -66.5 -34.3 10.3 59.8 51.3 53 95 A A H >X S+ 0 0 2 -4,-1.8 3,-0.6 -3,-0.3 4,-0.6 0.911 107.6 51.1 -68.2 -46.8 14.1 60.0 50.6 54 96 A I H >< S+ 0 0 23 -4,-2.5 3,-1.4 1,-0.2 -2,-0.2 0.892 104.6 59.7 -52.0 -47.8 13.8 58.4 47.2 55 97 A A H 3< S+ 0 0 85 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.755 102.2 51.7 -57.9 -28.6 11.0 61.0 46.3 56 98 A K H << S- 0 0 104 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.656 100.9-141.8 -87.4 -3.9 13.5 63.8 46.9 57 99 A N << - 0 0 111 -3,-1.4 -3,-0.2 -4,-0.6 -2,-0.1 0.947 27.6-169.4 51.1 60.1 15.9 62.1 44.6 58 100 A P - 0 0 18 0, 0.0 -55,-0.2 0, 0.0 3,-0.1 -0.138 38.2-100.7 -72.9 176.4 19.1 63.0 46.5 59 101 A A S S- 0 0 10 -57,-2.1 2,-0.3 1,-0.2 -56,-0.2 0.788 97.6 -24.4 -67.5 -27.0 22.7 62.6 45.3 60 102 A G E -b 3 0A 0 -58,-0.7 -56,-3.0 23,-0.1 2,-0.4 -0.940 56.8-132.9-176.5 165.0 22.9 59.4 47.4 61 103 A I E -bc 4 85A 0 23,-2.6 25,-2.2 -2,-0.3 2,-0.5 -0.992 7.1-168.7-128.5 133.8 21.5 57.5 50.4 62 104 A A E +bc 5 86A 0 -58,-2.9 -56,-3.0 -2,-0.4 2,-0.4 -0.990 23.2 176.5-117.0 124.0 23.3 55.6 53.2 63 105 A I E -bc 6 87A 0 23,-2.0 25,-1.8 -2,-0.5 2,-0.7 -0.992 32.9-146.6-135.3 136.8 21.0 53.5 55.2 64 106 A S - 0 0 0 -58,-2.1 2,-0.3 -2,-0.4 27,-0.2 -0.933 36.3-133.0 -93.9 114.0 21.2 51.1 58.2 65 107 A A - 0 0 2 25,-2.0 -57,-0.1 -2,-0.7 -22,-0.0 -0.516 7.1-148.4 -76.6 130.7 18.4 48.7 57.4 66 108 A I S S+ 0 0 13 -2,-0.3 -1,-0.2 1,-0.2 -23,-0.1 0.838 88.3 24.1 -66.6 -25.1 16.2 47.9 60.4 67 109 A D S > S- 0 0 40 23,-0.1 4,-0.6 -24,-0.1 -1,-0.2 -0.996 73.0-134.8-140.6 140.2 15.6 44.4 58.9 68 110 A P T 4 S+ 0 0 52 0, 0.0 26,-0.4 0, 0.0 27,-0.2 0.709 103.4 17.5 -67.3 -18.4 17.8 42.4 56.5 69 111 A V T >4 S+ 0 0 90 23,-0.1 3,-1.2 2,-0.1 4,-0.4 0.741 112.5 63.5-121.9 -35.8 14.7 41.4 54.4 70 112 A E T 34 S+ 0 0 115 1,-0.3 4,-0.2 2,-0.1 22,-0.0 0.556 105.4 49.1 -82.6 -3.2 11.7 43.5 55.0 71 113 A L T 3X S+ 0 0 0 -4,-0.6 4,-2.2 2,-0.1 3,-0.5 0.517 85.5 92.9-101.0 -7.2 13.5 46.7 53.7 72 114 A T H <> S+ 0 0 17 -3,-1.2 4,-2.9 1,-0.3 24,-0.3 0.852 79.8 53.1 -57.8 -45.7 14.8 45.1 50.5 73 115 A D H > S+ 0 0 138 -4,-0.4 4,-0.9 1,-0.2 -1,-0.3 0.857 112.8 46.1 -59.0 -39.2 12.0 46.0 48.1 74 116 A T H > S+ 0 0 9 -3,-0.5 4,-1.5 2,-0.2 -2,-0.2 0.892 111.9 51.3 -71.4 -37.8 12.3 49.7 49.1 75 117 A I H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 3,-0.4 0.947 108.9 50.3 -61.6 -45.1 16.1 49.6 48.8 76 118 A N H X S+ 0 0 23 -4,-2.9 4,-3.6 1,-0.2 -1,-0.2 0.807 103.4 61.8 -66.5 -26.8 15.9 48.1 45.3 77 119 A K H X S+ 0 0 97 -4,-0.9 4,-1.8 -5,-0.3 -1,-0.2 0.934 103.9 47.0 -63.4 -45.6 13.4 50.9 44.5 78 120 A A H <>S+ 0 0 0 -4,-1.5 5,-2.1 -3,-0.4 -2,-0.2 0.957 114.4 47.7 -58.3 -52.5 16.2 53.5 45.2 79 121 A V H ><5S+ 0 0 30 -4,-2.1 3,-2.5 1,-0.3 -2,-0.2 0.944 111.6 49.4 -52.7 -57.0 18.6 51.5 43.0 80 122 A D H 3<5S+ 0 0 135 -4,-3.6 -1,-0.3 1,-0.3 -2,-0.2 0.791 106.6 57.7 -52.1 -34.6 16.0 51.2 40.2 81 123 A A T 3<5S- 0 0 55 -4,-1.8 -1,-0.3 -3,-0.2 -2,-0.2 0.423 119.2-112.7 -79.4 1.0 15.4 54.9 40.5 82 124 A G T < 5 + 0 0 64 -3,-2.5 -3,-0.2 1,-0.3 -2,-0.1 0.662 68.6 143.1 74.9 22.1 19.2 55.5 39.8 83 125 A I < - 0 0 2 -5,-2.1 -1,-0.3 -6,-0.1 2,-0.2 -0.788 56.9-117.7 -90.2 127.5 20.0 56.8 43.2 84 126 A P + 0 0 12 0, 0.0 -23,-2.6 0, 0.0 2,-0.4 -0.506 44.3 177.2 -58.3 129.4 23.4 55.8 44.7 85 127 A I E +c 61 0A 0 -25,-0.2 13,-2.7 -2,-0.2 14,-0.4 -0.961 13.8 178.8-146.1 131.3 22.7 53.8 47.8 86 128 A V E -c 62 0A 0 -25,-2.2 -23,-2.0 -2,-0.4 2,-0.3 -0.902 23.9-128.5-122.9 149.8 24.9 51.9 50.3 87 129 A L E -cd 63 100A 6 12,-2.8 14,-2.5 -2,-0.3 2,-0.3 -0.803 27.1-176.3 -90.0 144.8 24.1 50.0 53.4 88 130 A F E - d 0 101A 0 -25,-1.8 2,-2.8 2,-0.4 14,-0.2 -0.974 59.2 -3.1-140.8 152.1 25.9 50.8 56.7 89 131 A D S S+ 0 0 12 12,-1.9 2,-0.4 -2,-0.3 14,-0.3 -0.337 131.8 31.3 69.2 -64.2 25.9 49.3 60.2 90 132 A S S S- 0 0 19 -2,-2.8 -25,-2.0 -27,-0.1 -2,-0.4 -0.991 82.7-155.6-125.1 135.2 23.1 46.7 59.4 91 133 A G - 0 0 19 -2,-0.4 9,-0.1 -27,-0.2 -3,-0.0 -0.112 25.5-143.9-100.9-167.9 22.7 45.2 56.0 92 134 A A > - 0 0 3 3,-0.1 3,-1.9 -21,-0.1 5,-0.3 -0.652 20.9-171.8-158.0 79.6 20.3 43.5 53.6 93 135 A P T 3 S+ 0 0 106 0, 0.0 -24,-0.1 0, 0.0 7,-0.0 0.723 81.5 51.8 -60.4 -29.1 22.4 41.0 51.7 94 136 A D T 3 S+ 0 0 140 -26,-0.4 -25,-0.1 2,-0.0 2,-0.0 0.521 93.4 95.4 -85.5 -5.4 19.8 40.0 49.1 95 137 A S S < S- 0 0 16 -3,-1.9 -22,-0.1 -27,-0.2 -3,-0.1 -0.176 81.5-120.2 -79.2 177.8 19.1 43.6 48.1 96 138 A H + 0 0 117 -24,-0.3 -11,-0.1 3,-0.0 -1,-0.1 0.120 58.7 142.0-107.9 16.6 20.8 45.4 45.2 97 139 A A - 0 0 24 -5,-0.3 -11,-0.2 1,-0.1 3,-0.1 -0.215 58.7-119.5 -57.5 156.8 22.4 48.2 47.2 98 140 A H S S- 0 0 38 -13,-2.7 173,-0.4 1,-0.1 2,-0.3 0.597 80.5 -9.8 -85.4 -16.6 25.9 49.2 45.9 99 141 A S - 0 0 5 -14,-0.4 -12,-2.8 171,-0.1 2,-0.4 -0.956 54.8-134.8-164.3 163.3 28.0 48.4 49.0 100 142 A F E -de 87 274A 47 173,-1.4 175,-2.6 -2,-0.3 2,-0.5 -0.996 18.4-170.0-126.9 130.8 27.8 47.4 52.7 101 143 A L E +de 88 275A 0 -14,-2.5 -12,-1.9 -2,-0.4 2,-0.3 -0.960 40.0 70.1-121.2 111.1 30.0 49.2 55.2 102 144 A G E S- e 0 276A 0 173,-2.2 175,-1.2 -2,-0.5 176,-0.4 -0.992 73.5 -20.6 175.2-164.4 30.1 47.9 58.8 103 145 A T - 0 0 5 -2,-0.3 2,-1.0 -14,-0.3 3,-0.1 -0.325 41.6-133.8 -71.4 142.0 31.1 45.3 61.4 104 146 A N > - 0 0 46 1,-0.2 4,-2.4 -2,-0.1 5,-0.1 -0.861 27.0-165.8 -90.1 101.1 31.9 41.7 60.6 105 147 A N H > S+ 0 0 21 -2,-1.0 4,-1.9 1,-0.2 -1,-0.2 0.843 80.9 54.2 -72.4 -28.0 29.7 40.4 63.3 106 148 A Y H > S+ 0 0 68 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.958 112.2 44.7 -64.7 -50.1 31.2 36.9 63.3 107 149 A N H > S+ 0 0 54 1,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.856 107.5 59.3 -59.6 -38.9 34.7 38.3 63.7 108 150 A A H X S+ 0 0 1 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.912 107.2 47.2 -52.8 -44.3 33.4 40.7 66.4 109 151 A G H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.868 110.6 52.6 -68.4 -33.7 32.3 37.6 68.4 110 152 A X H X S+ 0 0 61 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.898 107.1 51.3 -65.9 -46.8 35.7 36.1 67.7 111 153 A N H X S+ 0 0 50 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.869 109.8 50.2 -52.4 -46.5 37.4 39.2 69.0 112 154 A A H X S+ 0 0 0 -4,-2.1 4,-2.9 2,-0.2 -2,-0.2 0.901 106.9 55.4 -61.3 -43.8 35.3 38.9 72.2 113 155 A A H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.921 110.2 45.3 -53.1 -41.9 36.2 35.2 72.5 114 156 A Y H X S+ 0 0 103 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.895 113.5 49.2 -72.9 -38.2 39.9 36.0 72.5 115 157 A K H X S+ 0 0 26 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.897 110.9 50.6 -65.2 -44.1 39.5 38.9 74.9 116 158 A X H X S+ 0 0 0 -4,-2.9 4,-1.5 2,-0.2 -2,-0.2 0.852 108.4 52.2 -54.6 -41.3 37.4 36.6 77.2 117 159 A A H <>S+ 0 0 5 -4,-1.9 5,-3.9 1,-0.2 6,-0.3 0.837 108.9 50.4 -71.3 -35.3 40.2 33.9 77.2 118 160 A E H ><5S+ 0 0 127 -4,-1.7 3,-0.8 3,-0.2 -1,-0.2 0.871 110.5 48.9 -63.1 -41.9 42.7 36.5 78.1 119 161 A L H 3<5S+ 0 0 47 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.789 119.7 39.0 -74.4 -25.7 40.6 37.7 81.1 120 162 A L T ><5S- 0 0 21 -4,-1.5 3,-1.5 -5,-0.1 -1,-0.2 0.227 111.2-116.2-104.0 8.0 40.0 34.2 82.3 121 163 A D T < 5S- 0 0 147 -3,-0.8 -3,-0.2 1,-0.2 -4,-0.1 0.888 72.6 -56.9 50.7 44.4 43.5 32.8 81.6 122 164 A G T 3 - 0 0 20 -2,-0.2 3,-1.4 31,-0.2 6,-0.2 -0.923 35.2-162.9-116.3 100.4 19.1 38.7 70.8 132 174 A P T 3 S+ 0 0 59 0, 0.0 -1,-0.1 0, 0.0 30,-0.0 0.706 83.2 47.3 -66.3 -20.0 18.3 35.3 69.4 133 175 A N T 3 S+ 0 0 149 4,-0.0 2,-0.4 5,-0.0 0, 0.0 0.509 91.2 91.0 -99.8 -6.9 16.2 36.4 66.4 134 176 A Q <> - 0 0 59 -3,-1.4 4,-1.9 1,-0.1 -3,-0.2 -0.783 68.7-144.4 -93.5 134.3 18.5 39.1 65.1 135 177 A L H > S+ 0 0 79 -2,-0.4 4,-1.9 1,-0.2 5,-0.1 0.846 96.8 51.7 -69.9 -37.0 21.0 38.0 62.5 136 178 A N H > S+ 0 0 33 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.896 113.0 46.2 -68.0 -36.7 23.9 40.3 63.6 137 179 A H H > S+ 0 0 11 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.820 109.8 55.1 -71.4 -31.1 23.6 39.1 67.2 138 180 A Q H X S+ 0 0 75 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.898 109.1 46.7 -69.2 -40.5 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-2,-0.1 -0.693 78.0 133.8 -81.4 84.5 57.2 33.9 40.3 335 84 B D > - 0 0 74 -2,-1.5 4,-1.9 1,-0.1 5,-0.2 -0.963 48.2-156.7-149.1 116.2 60.0 34.1 42.8 336 85 B I H > S+ 0 0 62 -2,-0.4 4,-2.3 2,-0.2 5,-0.1 0.930 95.8 48.7 -60.3 -52.7 59.7 34.9 46.6 337 86 B Q H > S+ 0 0 110 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.888 109.2 56.1 -60.4 -36.9 63.3 36.2 47.2 338 87 B E H > S+ 0 0 57 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.904 107.6 46.4 -59.3 -51.2 62.9 38.4 44.2 339 88 B Q H X S+ 0 0 0 -4,-1.9 4,-2.9 2,-0.2 -1,-0.2 0.873 109.6 55.3 -62.0 -35.6 59.7 40.1 45.5 340 89 B I H X S+ 0 0 18 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.960 109.7 45.9 -58.4 -53.0 61.3 40.5 49.0 341 90 B T H X S+ 0 0 60 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.913 111.2 53.1 -55.9 -42.4 64.3 42.4 47.3 342 91 B V H X S+ 0 0 29 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.935 112.4 45.1 -62.6 -43.6 61.8 44.5 45.2 343 92 B L H X S+ 0 0 0 -4,-2.9 4,-2.9 2,-0.2 -1,-0.2 0.895 109.9 53.5 -68.5 -36.5 60.0 45.5 48.4 344 93 B E H X S+ 0 0 73 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.943 110.6 48.8 -61.6 -43.6 63.3 46.2 50.3 345 94 B Q H X S+ 0 0 127 -4,-2.9 4,-0.8 2,-0.2 -2,-0.2 0.930 110.1 51.0 -61.8 -43.4 64.2 48.5 47.5 346 95 B A H >X S+ 0 0 2 -4,-2.4 3,-1.3 1,-0.2 4,-0.5 0.932 109.1 50.5 -58.6 -45.2 60.8 50.2 47.6 347 96 B I H >< S+ 0 0 27 -4,-2.9 3,-2.2 1,-0.2 -1,-0.2 0.948 105.7 56.3 -55.6 -47.1 61.2 50.7 51.3 348 97 B A H 3< S+ 0 0 82 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.683 101.2 60.0 -54.5 -19.9 64.7 52.3 50.7 349 98 B K H << S- 0 0 114 -3,-1.3 -1,-0.3 -4,-0.8 -2,-0.2 0.590 98.7-140.4 -89.6 -15.7 62.9 54.8 48.3 350 99 B N << - 0 0 121 -3,-2.2 -55,-0.1 -4,-0.5 -3,-0.1 0.946 30.2-173.8 54.7 58.0 60.7 56.2 51.2 351 100 B P - 0 0 13 0, 0.0 -55,-0.2 0, 0.0 3,-0.1 -0.311 41.5-106.5 -76.3 169.1 57.5 56.6 49.1 352 101 B A S S- 0 0 10 -57,-2.1 2,-0.3 1,-0.2 -56,-0.2 0.752 97.1 -25.5 -62.4 -23.3 54.3 58.2 50.2 353 102 B G E -h 296 0A 0 -58,-1.1 -56,-3.0 23,-0.1 2,-0.4 -0.937 54.8-131.5-179.6 168.8 53.0 54.6 50.3 354 103 B I E -hi 297 378A 0 23,-2.2 25,-2.1 -2,-0.3 2,-0.5 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