==== 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 HYDROLASE 11-DEC-08 3FI7 . COMPND 2 MOLECULE: LMO1076 PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: UNDEFINED, LISTERIA MONOCYTOGENES; . AUTHOR M.BUBLITZ,L.POLLE,C.HOLLAND,M.NIMTZ,D.W.HEINZ,W.D.SCHUBERT . 177 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10730.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 113 63.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 8.5 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 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.1 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 . 4 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 67 37.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.8 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 1 0 0 2 1 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 0 0 0 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 55 A E 0 0 225 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 127.2 -82.4 -28.3 1.1 2 56 A P - 0 0 128 0, 0.0 2,-0.5 0, 0.0 0, 0.0 -0.349 360.0-155.2 -69.5 140.3 -79.6 -26.4 3.0 3 57 A V - 0 0 125 -2,-0.1 2,-0.2 2,-0.0 0, 0.0 -0.969 14.9-133.0-118.8 122.2 -76.8 -28.3 4.8 4 58 A F + 0 0 156 -2,-0.5 2,-0.3 4,-0.0 0, 0.0 -0.491 31.1 165.2 -78.1 139.4 -75.0 -26.7 7.7 5 59 A S > - 0 0 36 -2,-0.2 4,-2.1 1,-0.1 5,-0.1 -0.895 31.0-158.6-154.8 120.5 -71.2 -26.7 7.8 6 60 A L H > S+ 0 0 86 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.882 98.7 57.9 -64.5 -36.6 -68.8 -24.7 10.0 7 61 A E H > S+ 0 0 124 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.923 108.3 45.3 -60.0 -44.7 -66.0 -25.4 7.5 8 62 A Q H > S+ 0 0 107 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.905 110.1 54.6 -66.7 -42.5 -68.1 -23.8 4.7 9 63 A N H X S+ 0 0 72 -4,-2.1 4,-3.0 2,-0.2 -2,-0.2 0.929 109.8 46.9 -54.2 -47.4 -69.1 -20.8 6.9 10 64 A R H X S+ 0 0 145 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.898 112.1 50.3 -64.9 -41.5 -65.4 -20.1 7.7 11 65 A D H X S+ 0 0 112 -4,-2.0 4,-2.0 -5,-0.2 -1,-0.2 0.905 112.9 46.0 -63.5 -42.9 -64.5 -20.4 4.0 12 66 A D H X S+ 0 0 93 -4,-2.9 4,-1.8 2,-0.2 -2,-0.2 0.936 111.1 52.9 -64.3 -44.5 -67.3 -18.0 3.0 13 67 A A H X S+ 0 0 61 -4,-3.0 4,-0.7 1,-0.2 3,-0.3 0.928 113.1 43.3 -57.0 -47.3 -66.4 -15.6 5.7 14 68 A M H < S+ 0 0 131 -4,-2.4 3,-0.5 1,-0.2 -1,-0.2 0.842 109.5 56.7 -69.2 -34.6 -62.7 -15.4 4.6 15 69 A A H < S+ 0 0 86 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.840 111.1 45.1 -64.0 -30.2 -63.7 -15.2 0.9 16 70 A A H < S+ 0 0 83 -4,-1.8 -1,-0.2 -3,-0.3 -2,-0.2 0.579 85.4 121.6 -89.6 -12.6 -65.7 -12.1 1.7 17 71 A L < - 0 0 110 -4,-0.7 2,-0.4 -3,-0.5 -3,-0.0 -0.265 50.2-151.7 -59.1 130.1 -63.1 -10.4 3.9 18 84 A A - 0 0 84 1,-0.1 -2,-0.1 -2,-0.0 -1,-0.1 -0.869 7.3-145.7 -98.1 140.5 -62.0 -7.0 2.7 19 85 A S S S+ 0 0 109 -2,-0.4 -1,-0.1 1,-0.2 -2,-0.0 0.766 76.9 32.3 -79.6 -24.6 -58.5 -6.1 3.8 20 86 A T S S- 0 0 103 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.980 70.2-136.2-142.6 125.0 -58.9 -2.4 4.3 21 87 A P - 0 0 61 0, 0.0 -2,-0.0 0, 0.0 2,-0.0 -0.217 42.4 -87.2 -66.5 164.1 -61.8 -0.1 5.6 22 88 A T > - 0 0 79 1,-0.1 4,-2.9 4,-0.0 5,-0.2 -0.283 41.5-106.2 -61.8 158.5 -62.6 3.2 3.9 23 89 A F H > S+ 0 0 97 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.858 123.1 55.0 -57.3 -31.9 -60.7 6.2 5.1 24 90 A Q H > S+ 0 0 44 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.943 111.3 41.4 -64.6 -49.1 -64.0 7.3 6.8 25 91 A Q H > S+ 0 0 56 1,-0.2 4,-3.1 2,-0.2 -2,-0.2 0.880 112.8 55.2 -68.5 -37.5 -64.3 4.0 8.7 26 92 A T H X S+ 0 0 65 -4,-2.9 4,-1.7 2,-0.2 -1,-0.2 0.888 106.4 51.7 -63.7 -38.2 -60.6 3.9 9.5 27 93 A F H X S+ 0 0 12 -4,-2.0 4,-0.8 -5,-0.2 3,-0.3 0.960 111.7 45.7 -62.8 -51.0 -60.9 7.4 11.0 28 94 A I H >X S+ 0 0 2 -4,-2.1 4,-1.6 1,-0.2 3,-1.4 0.951 111.4 53.0 -53.8 -49.9 -63.8 6.2 13.3 29 95 A N H 3< S+ 0 0 70 -4,-3.1 4,-0.5 1,-0.3 -1,-0.2 0.829 105.1 57.0 -56.2 -32.8 -61.8 3.0 14.2 30 96 A S H 3< S+ 0 0 63 -4,-1.7 -1,-0.3 -3,-0.3 -2,-0.2 0.675 118.7 26.9 -77.5 -18.0 -58.8 5.2 15.2 31 97 A I H S+ 0 0 87 -4,-0.5 4,-2.0 2,-0.2 -1,-0.2 0.946 113.9 42.1 -60.5 -50.1 -61.6 3.6 21.9 34 100 A Q H > S+ 0 0 56 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.855 113.0 54.9 -66.8 -34.5 -60.5 6.9 23.3 35 101 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.904 107.3 49.4 -66.4 -40.4 -63.9 8.4 22.8 36 102 A M H X S+ 0 0 70 -4,-2.3 4,-1.2 -5,-0.2 -2,-0.2 0.928 114.2 45.9 -63.4 -43.9 -65.6 5.6 24.8 37 103 A D H X S+ 0 0 104 -4,-2.0 4,-2.0 2,-0.2 3,-0.3 0.944 116.4 42.8 -64.2 -49.6 -63.1 6.1 27.7 38 104 A L H X S+ 0 0 11 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.884 111.9 53.6 -67.5 -38.5 -63.4 9.9 27.8 39 105 A C H <>S+ 0 0 2 -4,-2.4 5,-2.5 -5,-0.3 -1,-0.2 0.742 108.6 50.7 -71.6 -21.6 -67.1 10.0 27.3 40 106 A K H ><5S+ 0 0 184 -4,-1.2 3,-0.8 -3,-0.3 -1,-0.2 0.915 110.7 48.6 -74.9 -46.9 -67.5 7.6 30.3 41 107 A K H 3<5S+ 0 0 140 -4,-2.0 -2,-0.2 1,-0.2 -3,-0.1 0.854 124.1 31.6 -60.2 -36.2 -65.3 9.8 32.4 42 108 A Y T 3<5S- 0 0 28 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.271 108.3-121.6-106.2 9.9 -67.2 13.0 31.4 43 109 A N T < 5 + 0 0 67 -3,-0.8 94,-2.4 1,-0.2 95,-0.4 0.914 65.0 131.2 46.3 59.1 -70.6 11.2 31.0 44 110 A L < - 0 0 6 -5,-2.5 -1,-0.2 92,-0.2 92,-0.1 -0.759 65.7 -86.7-124.3 171.9 -71.3 12.2 27.4 45 111 A Y > - 0 0 18 90,-0.5 4,-2.0 -2,-0.2 3,-0.3 -0.760 25.1-157.9 -83.6 120.1 -72.3 10.2 24.2 46 112 A P H > S+ 0 0 5 0, 0.0 4,-2.7 0, 0.0 5,-0.3 0.841 94.9 59.6 -60.0 -34.2 -69.3 8.7 22.4 47 113 A S H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.889 106.6 46.1 -63.8 -36.9 -71.5 8.5 19.3 48 114 A V H > S+ 0 0 5 -3,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.889 112.9 49.6 -74.3 -38.1 -71.8 12.3 19.4 49 115 A M H X S+ 0 0 3 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.909 112.3 46.9 -64.8 -43.5 -68.1 12.9 20.1 50 116 A I H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 5,-0.2 0.925 113.3 49.1 -67.0 -43.0 -67.0 10.6 17.2 51 117 A A H X S+ 0 0 1 -4,-2.0 4,-2.2 -5,-0.3 -2,-0.2 0.917 112.1 48.9 -62.1 -42.7 -69.5 12.3 14.8 52 118 A Q H X S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.2 5,-0.3 0.923 110.2 51.2 -61.4 -43.7 -68.3 15.7 15.9 53 119 A A H X S+ 0 0 0 -4,-2.5 4,-1.4 1,-0.2 7,-0.4 0.902 112.0 46.2 -62.4 -40.8 -64.7 14.7 15.4 54 120 A A H X>S+ 0 0 3 -4,-2.2 5,-2.3 1,-0.2 4,-0.8 0.893 116.9 44.9 -67.8 -39.9 -65.4 13.5 11.9 55 121 A L H <5S+ 0 0 58 -4,-2.2 3,-0.4 -5,-0.2 -2,-0.2 0.924 116.2 42.8 -70.7 -46.3 -67.4 16.5 11.0 56 122 A E H <5S+ 0 0 68 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.720 124.3 36.2 -77.7 -22.3 -65.1 19.2 12.4 57 123 A S H X>S- 0 0 1 -4,-1.4 5,-2.1 -5,-0.3 4,-0.9 0.420 106.6-117.3-107.0 -2.6 -61.9 17.6 11.1 58 124 A N T ><5S- 0 0 76 -4,-0.8 3,-1.2 -3,-0.4 -3,-0.2 0.973 82.6 -44.4 56.8 58.6 -63.2 16.2 7.7 59 125 A W T 34X S- 0 0 90 -4,-2.0 4,-1.8 1,-0.2 3,-1.5 -0.227 93.7 -32.5 -80.4 171.7 -53.7 15.4 11.0 67 133 A A T 34 S+ 0 0 59 1,-0.3 -1,-0.2 2,-0.2 -2,-0.1 -0.303 116.7 23.5 -60.4 149.1 -50.2 15.0 12.5 68 134 A P T 34 S+ 0 0 74 0, 0.0 -1,-0.3 0, 0.0 -4,-0.1 -0.931 130.3 38.5 -98.3 19.9 -48.3 16.7 13.9 69 135 A N T <4 - 0 0 18 -3,-1.5 38,-2.8 -6,-0.3 -2,-0.2 0.852 69.8-169.2 -94.5 -42.0 -51.0 19.1 15.2 70 136 A Y < + 0 0 66 -4,-1.8 2,-1.3 1,-0.2 -5,-0.2 0.676 29.0 150.1 65.1 20.0 -53.8 16.6 15.9 71 137 A N > + 0 0 0 -7,-2.7 3,-0.9 -5,-0.3 -1,-0.2 -0.661 15.1 171.6 -91.7 86.5 -56.3 19.4 16.5 72 138 A L T 3 S+ 0 0 1 -2,-1.3 -1,-0.2 1,-0.2 -7,-0.2 0.786 75.1 42.8 -68.9 -29.8 -59.6 17.7 15.4 73 139 A F T 3 S- 0 0 12 -9,-0.1 -1,-0.2 -16,-0.1 -2,-0.1 0.382 105.7-118.7-103.7 6.0 -61.9 20.5 16.4 74 140 A G < - 0 0 31 -3,-0.9 2,-0.3 1,-0.2 -2,-0.1 0.879 44.6-176.1 61.1 39.4 -59.9 23.5 15.2 75 141 A I - 0 0 36 30,-0.1 30,-2.3 1,-0.1 -1,-0.2 -0.515 17.6-133.0 -72.9 129.6 -59.5 24.9 18.7 76 142 A K B +A 104 0A 113 -2,-0.3 2,-0.4 28,-0.3 28,-0.3 -0.459 66.8 32.6 -80.9 154.8 -57.8 28.3 18.9 77 143 A G S S- 0 0 35 26,-2.8 7,-0.3 7,-0.1 2,-0.3 -0.858 92.8 -60.2 108.6-139.2 -55.0 29.0 21.4 78 144 A S - 0 0 70 -2,-0.4 2,-0.5 27,-0.2 27,-0.2 -0.924 26.4-133.6-143.4 167.3 -52.5 26.5 22.8 79 145 A Y B > S-C 82 0B 50 3,-2.3 3,-1.9 -2,-0.3 27,-0.1 -0.958 91.1 -22.7-127.8 113.1 -52.2 23.3 24.7 80 146 A N T 3 S- 0 0 138 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.938 129.1 -50.2 47.6 50.9 -49.6 23.3 27.4 81 147 A G T 3 S+ 0 0 67 1,-0.2 2,-0.3 -3,-0.0 -1,-0.3 0.264 113.3 120.9 78.9 -11.9 -47.8 26.1 25.6 82 148 A K B < +C 79 0B 120 -3,-1.9 -3,-2.3 24,-0.2 24,-1.3 -0.672 31.3 147.9 -91.7 138.6 -47.8 24.4 22.2 83 149 A S E -B 105 0A 49 -2,-0.3 2,-0.3 22,-0.2 22,-0.2 -0.956 33.1-140.6-154.9 172.5 -49.4 25.9 19.2 84 150 A V E -B 104 0A 36 20,-2.3 20,-3.0 -7,-0.3 2,-0.4 -0.996 18.1-138.2-141.5 138.9 -49.3 26.2 15.4 85 151 A T E +B 103 0A 78 -2,-0.3 2,-0.3 18,-0.2 18,-0.2 -0.785 32.8 151.1 -97.9 138.2 -50.0 29.3 13.3 86 152 A M E -B 102 0A 67 16,-2.0 16,-1.9 -2,-0.4 14,-0.1 -0.979 46.6 -90.7-159.7 160.0 -52.0 29.2 10.1 87 153 A K E +B 101 0A 114 -2,-0.3 2,-0.3 14,-0.2 14,-0.2 -0.375 45.4 177.2 -65.6 146.2 -54.3 31.3 7.9 88 154 A T E -B 100 0A 39 12,-2.3 12,-1.5 -2,-0.1 2,-0.3 -0.980 30.0-105.1-147.4 155.2 -58.0 31.0 8.6 89 155 A W E +B 99 0A 149 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.657 35.4 177.8 -83.2 138.2 -61.2 32.6 7.3 90 156 A E E -B 98 0A 52 8,-2.7 8,-2.6 -2,-0.3 2,-0.4 -0.943 12.1-150.4-131.3 155.9 -63.1 35.2 9.3 91 157 A Y E +B 97 0A 128 -2,-0.3 2,-0.3 6,-0.2 6,-0.2 -0.978 17.2 167.2-128.8 144.4 -66.2 37.2 8.5 92 158 A S E > -B 96 0A 32 4,-1.4 4,-3.1 -2,-0.4 -2,-0.0 -0.976 41.1-129.5-147.3 143.6 -67.5 40.7 9.5 93 159 A D T 4 S+ 0 0 150 -2,-0.3 -1,-0.1 1,-0.2 4,-0.1 0.852 112.3 55.7 -54.2 -31.3 -70.3 42.7 8.0 94 160 A S T 4 S+ 0 0 121 1,-0.1 -1,-0.2 2,-0.1 -3,-0.0 0.930 125.7 11.7 -70.7 -50.0 -67.7 45.4 7.9 95 161 A K T 4 S- 0 0 141 1,-0.3 2,-0.3 3,-0.0 -2,-0.2 0.654 93.6-140.7-105.6 -19.7 -64.9 43.7 5.8 96 162 A G E < - B 0 92A 18 -4,-3.1 -4,-1.4 2,-0.1 2,-0.5 -0.669 62.0 -9.9 91.5-151.8 -66.7 40.7 4.4 97 163 A W E S+ B 0 91A 177 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.728 79.5 162.3 -82.3 129.8 -64.8 37.4 4.2 98 164 A Y E - B 0 90A 58 -8,-2.6 -8,-2.7 -2,-0.5 2,-0.2 -0.984 33.6-119.0-147.2 157.3 -61.1 37.8 4.9 99 165 A Q E + B 0 89A 97 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.614 32.0 167.3 -95.9 157.6 -58.1 35.7 5.8 100 166 A I E - B 0 88A 73 -12,-1.5 -12,-2.3 -2,-0.2 2,-0.3 -0.970 36.5-105.9-163.3 150.6 -56.0 36.1 8.9 101 167 A N E + B 0 87A 99 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.652 41.3 175.7 -78.9 138.7 -53.3 34.2 10.9 102 168 A A E - B 0 86A 17 -16,-1.9 -16,-2.0 -2,-0.3 2,-0.5 -0.953 30.7-116.7-137.6 161.1 -54.4 32.6 14.1 103 169 A N E - B 0 85A 86 -2,-0.3 -26,-2.8 -18,-0.2 2,-0.4 -0.873 30.9-167.9 -98.1 129.4 -52.8 30.4 16.7 104 170 A F E -AB 76 84A 9 -20,-3.0 -20,-2.3 -2,-0.5 -28,-0.3 -0.904 29.7 -97.3-117.8 146.3 -54.3 26.9 17.0 105 171 A A E - B 0 83A 0 -30,-2.3 2,-0.5 -2,-0.4 -22,-0.2 -0.248 31.6-150.3 -58.1 145.4 -53.7 24.4 19.8 106 172 A K - 0 0 53 -24,-1.3 -27,-0.3 -27,-0.1 -24,-0.2 -0.989 16.5-164.0-121.5 119.8 -51.1 21.7 19.0 107 173 A Y - 0 0 5 -38,-2.8 3,-0.1 -2,-0.5 -36,-0.1 -0.693 30.6-125.9-107.3 157.0 -51.7 18.4 20.8 108 174 A P S S- 0 0 84 0, 0.0 2,-0.3 0, 0.0 -38,-0.1 0.797 90.8 -26.1 -64.6 -31.5 -49.5 15.3 21.4 109 175 A S S >> S- 0 0 36 -40,-0.1 4,-1.1 -39,-0.1 3,-0.6 -0.966 77.0 -78.0-168.1 178.4 -52.2 13.2 19.8 110 176 A H H 3> S+ 0 0 39 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.766 116.4 71.5 -60.1 -25.9 -55.8 12.9 19.0 111 177 A K H 3> S+ 0 0 97 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.929 98.6 43.9 -59.3 -47.9 -56.5 11.8 22.6 112 178 A E H <> S+ 0 0 39 -3,-0.6 4,-1.9 2,-0.2 -1,-0.2 0.821 112.3 54.5 -69.9 -30.4 -55.8 15.2 24.1 113 179 A S H X S+ 0 0 0 -4,-1.1 4,-1.6 2,-0.2 -2,-0.2 0.934 109.7 46.2 -65.9 -47.7 -57.9 16.9 21.3 114 180 A L H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.902 110.2 54.6 -59.8 -41.0 -60.9 14.6 22.1 115 181 A E H X S+ 0 0 30 -4,-2.3 4,-2.8 -5,-0.2 -1,-0.2 0.888 103.8 54.5 -63.8 -38.2 -60.4 15.3 25.8 116 182 A D H X S+ 0 0 41 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.900 107.8 50.2 -58.8 -42.0 -60.6 19.1 25.1 117 183 A N H X S+ 0 0 4 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.910 111.3 48.8 -62.3 -42.2 -63.9 18.6 23.4 118 184 A A H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 5,-0.3 0.905 112.1 48.0 -64.2 -42.9 -65.2 16.5 26.4 119 185 A K H X>S+ 0 0 83 -4,-2.8 4,-3.1 2,-0.2 5,-0.7 0.919 109.6 54.2 -63.0 -43.9 -64.0 19.2 28.8 120 186 A K H X5S+ 0 0 76 -4,-2.6 4,-1.5 3,-0.2 -2,-0.2 0.938 114.3 39.8 -54.8 -51.6 -65.7 21.9 26.7 121 187 A L H <5S+ 0 0 6 -4,-2.3 11,-0.4 2,-0.2 -2,-0.2 0.911 124.3 37.4 -65.9 -45.4 -69.1 20.1 26.8 122 188 A R H <5S+ 0 0 46 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.931 127.9 31.7 -77.2 -46.9 -68.9 19.0 30.4 123 189 A N H <5S- 0 0 91 -4,-3.1 -3,-0.2 -5,-0.3 -2,-0.2 0.710 100.2-152.8 -85.4 -21.5 -67.2 22.1 32.0 124 190 A G << - 0 0 16 -4,-1.5 5,-0.2 -5,-0.7 -3,-0.1 0.066 31.3 -47.1 76.5 170.9 -68.7 24.6 29.6 125 191 A P > - 0 0 33 0, 0.0 3,-1.2 0, 0.0 6,-0.2 -0.317 64.4-100.7 -69.0 165.3 -67.4 28.0 28.4 126 192 A S T 3 S+ 0 0 130 1,-0.3 3,-0.3 2,-0.1 -2,-0.0 0.779 120.4 53.5 -65.6 -27.6 -66.1 30.3 31.1 127 193 A W T 3 S+ 0 0 173 1,-0.2 -1,-0.3 2,-0.0 2,-0.2 0.634 123.6 18.9 -83.1 -14.1 -69.3 32.4 31.2 128 194 A D X - 0 0 52 -3,-1.2 3,-2.0 1,-0.1 -1,-0.2 -0.636 57.1-169.5-160.4 97.3 -71.7 29.5 31.7 129 195 A S T 3 S+ 0 0 83 1,-0.3 3,-0.3 -3,-0.3 -1,-0.1 0.686 92.7 47.9 -64.7 -18.0 -70.6 26.1 33.0 130 196 A S T > S+ 0 0 37 1,-0.2 3,-2.3 2,-0.1 -1,-0.3 0.231 73.5 117.3-107.2 14.2 -73.9 24.4 32.1 131 197 A Y T < S+ 0 0 56 -3,-2.0 3,-0.3 1,-0.3 -1,-0.2 0.828 83.1 38.9 -47.0 -40.6 -74.2 25.8 28.6 132 198 A Y T > S+ 0 0 12 -11,-0.4 3,-2.9 -3,-0.3 4,-0.4 0.153 76.7 126.6-100.7 22.0 -74.1 22.4 27.0 133 199 A K G X + 0 0 95 -3,-2.3 3,-1.3 1,-0.3 6,-0.2 0.760 65.3 64.2 -52.7 -31.8 -76.2 20.6 29.7 134 200 A G G 3 S+ 0 0 10 -3,-0.3 -1,-0.3 1,-0.3 15,-0.2 0.622 101.2 52.1 -68.8 -12.4 -78.6 19.2 27.1 135 201 A A G < S+ 0 0 4 -3,-2.9 -90,-0.5 -14,-0.1 -1,-0.3 0.433 83.3 109.0-101.5 -3.1 -75.8 17.2 25.7 136 202 A W S X> S- 0 0 38 -3,-1.3 3,-1.8 -4,-0.4 4,-1.0 -0.558 76.0-129.0 -71.0 139.2 -74.9 15.7 29.1 137 203 A R T 34 S+ 0 0 86 -94,-2.4 3,-0.4 1,-0.3 -1,-0.1 0.832 106.2 60.2 -63.7 -32.2 -75.9 12.1 29.1 138 204 A E T 34 S+ 0 0 100 -95,-0.4 -1,-0.3 1,-0.2 3,-0.1 0.611 114.7 36.9 -70.9 -9.5 -77.8 12.4 32.4 139 205 A N T <4 S+ 0 0 92 -3,-1.8 2,-0.6 -6,-0.2 -1,-0.2 0.470 104.2 75.4-114.5 -8.5 -80.1 15.0 30.6 140 206 A A < - 0 0 4 -4,-1.0 -1,-0.1 -3,-0.4 6,-0.0 -0.908 56.3-165.7-114.0 110.7 -80.4 13.5 27.2 141 207 A K S S+ 0 0 193 -2,-0.6 2,-0.3 -3,-0.1 -1,-0.2 0.920 80.5 7.8 -59.4 -45.5 -82.6 10.5 26.7 142 208 A T S >> S- 0 0 68 1,-0.0 3,-1.3 -97,-0.0 4,-1.1 -0.851 85.1-101.5-128.4 170.2 -81.1 9.7 23.3 143 209 A Y H 3> S+ 0 0 42 -2,-0.3 4,-2.7 1,-0.3 5,-0.2 0.786 117.4 68.1 -61.8 -27.1 -78.2 11.0 21.3 144 210 A K H 3> S+ 0 0 114 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.815 96.5 52.7 -63.2 -30.8 -80.7 13.0 19.3 145 211 A D H <> S+ 0 0 76 -3,-1.3 4,-1.6 2,-0.2 -1,-0.2 0.897 110.8 48.8 -68.5 -38.2 -81.5 15.2 22.3 146 212 A A H X S+ 0 0 1 -4,-1.1 4,-1.7 2,-0.2 -2,-0.2 0.928 112.4 45.1 -67.1 -46.4 -77.7 15.8 22.6 147 213 A T H X S+ 0 0 0 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.924 111.1 54.0 -66.6 -42.0 -77.2 16.7 19.0 148 214 A A H < S+ 0 0 58 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.860 108.0 51.9 -57.5 -35.6 -80.3 19.0 19.0 149 215 A W H < S+ 0 0 70 -4,-1.6 -1,-0.2 -15,-0.2 -2,-0.2 0.875 106.0 53.1 -69.5 -36.4 -78.8 20.7 22.0 150 216 A L H >X>S+ 0 0 0 -4,-1.7 4,-2.8 3,-0.1 3,-1.8 0.822 87.6 95.4 -68.1 -31.6 -75.4 21.3 20.2 151 217 A Q B 3<5S+d 155 0C 60 -4,-1.7 5,-0.1 1,-0.3 7,-0.1 -0.421 98.7 10.5 -64.8 131.8 -77.2 23.0 17.3 152 218 A G T 345S+ 0 0 51 3,-1.7 -1,-0.3 5,-0.3 4,-0.1 0.242 131.6 57.5 82.2 -14.5 -77.2 26.7 17.7 153 219 A R T <45S+ 0 0 82 -3,-1.8 -2,-0.2 2,-0.2 -3,-0.1 0.795 110.7 30.5-110.7 -54.5 -74.8 26.4 20.6 154 220 A Y T <5S+ 0 0 29 -4,-2.8 2,-0.3 1,-0.3 -3,-0.2 0.882 136.8 4.2 -73.0 -38.3 -71.6 24.6 19.5 155 221 A A B - 0 0 45 -2,-0.8 3,-1.9 0, 0.0 4,-0.3 -0.624 57.4-147.7 177.8 106.4 -75.6 26.1 11.5 158 224 A N T 3 S+ 0 0 138 1,-0.3 4,-0.1 -2,-0.2 -7,-0.1 0.366 100.4 47.1 -79.9 8.9 -79.3 25.2 11.4 159 225 A T T 3> S+ 0 0 61 2,-0.1 4,-2.4 3,-0.1 -1,-0.3 0.194 77.8 109.7-122.2 13.7 -78.6 21.7 10.1 160 226 A Y H <> S+ 0 0 4 -3,-1.9 4,-2.3 1,-0.2 5,-0.2 0.929 80.3 46.4 -51.8 -52.8 -75.8 20.9 12.5 161 227 A A H > S+ 0 0 10 -4,-0.3 4,-3.0 1,-0.2 -1,-0.2 0.910 110.8 53.2 -58.9 -43.9 -77.9 18.3 14.5 162 228 A S H > S+ 0 0 65 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.884 108.4 50.3 -60.6 -40.6 -79.1 16.7 11.3 163 229 A K H X S+ 0 0 81 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.941 112.0 46.6 -62.0 -48.9 -75.5 16.3 10.1 164 230 A L H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.928 112.3 51.3 -59.0 -46.0 -74.4 14.7 13.3 165 231 A N H X S+ 0 0 32 -4,-3.0 4,-2.4 1,-0.2 5,-0.3 0.863 108.6 51.5 -58.9 -37.4 -77.5 12.4 13.2 166 232 A T H X S+ 0 0 76 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.912 111.3 46.3 -69.6 -41.9 -76.7 11.3 9.7 167 233 A L H X S+ 0 0 24 -4,-2.2 4,-1.9 2,-0.2 6,-0.3 0.939 112.2 52.9 -61.1 -46.4 -73.1 10.4 10.6 168 234 A I H <>S+ 0 0 1 -4,-2.7 5,-2.7 1,-0.2 6,-0.5 0.932 116.6 35.3 -59.3 -49.4 -74.4 8.6 13.7 169 235 A S H ><5S+ 0 0 79 -4,-2.4 3,-0.7 3,-0.2 -1,-0.2 0.872 114.2 56.9 -73.9 -34.3 -76.9 6.4 11.8 170 236 A S H 3<5S+ 0 0 78 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.823 121.3 28.4 -68.2 -30.7 -74.9 5.9 8.6 171 237 A Y T 3<5S- 0 0 62 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.235 107.0-121.4-110.6 14.4 -71.9 4.5 10.6 172 238 A N T X 5 + 0 0 92 -3,-0.7 3,-1.6 -4,-0.2 -3,-0.2 0.914 45.5 170.5 42.5 55.3 -74.0 3.0 13.5 173 239 A L G > < + 0 0 3 -5,-2.7 3,-1.6 -6,-0.3 4,-0.2 0.676 61.6 78.7 -69.8 -14.4 -72.0 5.1 16.0 174 240 A T G > S+ 0 0 53 -6,-0.5 3,-1.7 1,-0.3 -1,-0.3 0.704 72.5 80.4 -66.6 -16.6 -74.5 4.1 18.7 175 241 A Q G < S+ 0 0 114 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.799 92.4 51.9 -55.9 -26.7 -72.6 0.8 19.0 176 242 A Y G < 0 0 26 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.569 360.0 360.0 -88.0 -10.4 -70.1 2.8 21.0 177 243 A D < 0 0 69 -3,-1.7 -1,-0.2 -4,-0.2 -2,-0.2 0.664 360.0 360.0 -79.4 360.0 -72.7 4.2 23.4