==== 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 21-NOV-07 3BFD . COMPND 2 MOLECULE: CLASS A BETA-LACTAMASE SED1; . SOURCE 2 ORGANISM_SCIENTIFIC: CITROBACTER SEDLAKII; . AUTHOR L.PERNOT,S.PETRELLA,W.SOUGAKOFF . 1052 4 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 42044.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 775 73.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 163 15.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 44 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 149 14.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 340 32.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 1.9 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 0 0 8 4 15 1 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 1 4 1 3 5 0 3 4 4 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 . 7 1 0 4 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 25 A D > 0 0 58 0, 0.0 4,-1.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 169.9 -62.4 11.1 12.3 2 26 A V H > + 0 0 97 1,-0.2 4,-0.9 2,-0.2 257,-0.0 0.699 360.0 50.0 -71.6 -23.2 -63.5 7.9 10.5 3 27 A Q H > S+ 0 0 141 2,-0.2 4,-2.0 1,-0.1 -1,-0.2 0.833 108.3 52.0 -83.6 -32.6 -67.1 9.0 9.7 4 28 A Q H > S+ 0 0 88 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.791 104.5 58.8 -72.8 -24.5 -66.1 12.4 8.2 5 29 A V H X S+ 0 0 22 -4,-1.1 4,-2.5 2,-0.2 -1,-0.2 0.931 107.7 45.3 -66.5 -45.2 -63.7 10.5 6.0 6 30 A Q H X S+ 0 0 70 -4,-0.9 4,-2.4 2,-0.2 5,-0.2 0.919 113.1 49.1 -63.6 -46.5 -66.5 8.5 4.5 7 31 A K H X S+ 0 0 142 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.921 113.8 47.6 -60.0 -44.3 -68.8 11.5 4.0 8 32 A K H X S+ 0 0 112 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.883 110.5 50.0 -66.0 -41.2 -65.9 13.4 2.4 9 33 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.915 110.9 50.0 -63.9 -42.6 -65.0 10.6 0.0 10 34 A A H X S+ 0 0 41 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.905 111.1 49.5 -62.4 -40.7 -68.6 10.2 -1.1 11 35 A A H X S+ 0 0 43 -4,-2.0 4,-2.4 -5,-0.2 -2,-0.2 0.908 109.9 51.2 -64.6 -41.9 -68.8 13.9 -1.7 12 36 A L H X S+ 0 0 21 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.908 110.0 49.4 -61.4 -43.2 -65.6 13.8 -3.7 13 37 A E H X>S+ 0 0 17 -4,-2.5 4,-1.3 2,-0.2 5,-0.6 0.941 110.6 49.3 -63.1 -47.1 -66.9 11.0 -5.9 14 38 A K H <5S+ 0 0 182 -4,-2.3 3,-0.5 1,-0.2 -1,-0.2 0.920 112.4 48.5 -58.6 -43.5 -70.2 12.7 -6.5 15 39 A Q H <5S+ 0 0 159 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.786 107.9 56.6 -66.9 -27.9 -68.3 15.9 -7.5 16 40 A S H <5S- 0 0 11 -4,-1.6 -1,-0.2 -3,-0.3 -2,-0.2 0.751 95.4-137.5 -76.9 -27.1 -66.0 13.9 -9.8 17 41 A G T <5S+ 0 0 50 -4,-1.3 2,-0.1 -3,-0.5 -3,-0.1 0.487 73.8 81.1 81.5 1.5 -68.8 12.4 -12.0 18 42 A G S >> -AB 232 31A 20 5,-2.5 4,-2.0 -2,-0.5 3,-1.2 -0.861 1.9-162.8 -96.2 107.6 -52.1 2.0 8.3 27 51 A T T 345S+ 0 0 21 204,-1.8 -1,-0.1 -2,-0.8 205,-0.1 0.555 80.0 79.0 -69.1 -5.6 -49.3 -0.4 9.2 28 52 A A T 345S- 0 0 66 203,-0.3 -1,-0.2 202,-0.2 204,-0.1 0.903 126.4 -7.2 -67.2 -39.2 -49.2 1.2 12.7 29 53 A D T <45S- 0 0 90 -3,-1.2 -2,-0.2 2,-0.1 -1,-0.1 0.230 94.5-111.9-139.8 9.7 -52.2 -0.9 13.7 30 54 A N T <5 + 0 0 91 -4,-2.0 -3,-0.2 1,-0.2 2,-0.0 0.664 64.9 153.2 63.7 16.5 -53.3 -2.5 10.4 31 55 A S E < -B 26 0A 46 -5,-0.7 -5,-2.5 -6,-0.1 2,-0.3 -0.343 29.9-148.1 -70.6 160.5 -56.4 -0.4 10.5 32 56 A Q E -B 25 0A 85 -7,-0.2 2,-0.5 -3,-0.1 -7,-0.2 -0.959 17.6-153.3-135.1 152.5 -58.0 0.3 7.1 33 57 A V E -B 24 0A 21 -9,-1.8 -9,-2.2 -2,-0.3 2,-0.3 -0.993 30.7-172.3-121.7 117.7 -60.0 3.1 5.4 34 59 A L E +B 23 0A 59 -2,-0.5 2,-0.3 -11,-0.2 -11,-0.2 -0.894 25.1 167.3-123.0 148.1 -62.1 1.7 2.6 35 60 A Y E S-B 22 0A 28 -13,-2.1 -13,-2.7 -2,-0.3 4,-0.1 -0.817 88.6 -24.9-155.1 107.3 -64.3 3.0 -0.2 36 61 A R S > S+ 0 0 95 -2,-0.3 3,-1.7 -15,-0.2 123,-0.1 0.805 90.1 155.4 53.9 29.2 -65.4 0.6 -3.0 37 62 A A T 3 + 0 0 5 1,-0.3 122,-2.2 -15,-0.2 123,-0.5 0.619 65.7 46.8 -62.3 -18.0 -62.3 -1.2 -1.9 38 63 A D T 3 S+ 0 0 130 120,-0.1 -1,-0.3 119,-0.1 2,-0.2 0.385 91.6 104.2-105.3 2.1 -63.5 -4.6 -3.1 39 64 A E S < S- 0 0 67 -3,-1.7 2,-0.4 1,-0.1 120,-0.1 -0.501 74.4-113.9 -82.2 152.0 -64.7 -3.3 -6.5 40 65 A R + 0 0 70 117,-0.2 2,-0.3 -2,-0.2 117,-0.2 -0.708 34.8 174.8 -90.7 137.0 -62.7 -3.9 -9.6 41 66 A F E -E 156 0B 2 115,-2.5 115,-1.7 -2,-0.4 2,-0.3 -0.957 42.2 -97.5-133.4 150.8 -61.0 -1.1 -11.6 42 67 A A E -E 155 0B 11 -2,-0.3 113,-0.3 113,-0.2 196,-0.2 -0.548 31.0-147.4 -69.1 133.1 -58.8 -1.4 -14.6 43 68 A M > - 0 0 0 111,-2.3 3,-2.1 -2,-0.3 -1,-0.1 0.757 23.7-179.6 -74.7 -26.5 -55.2 -1.2 -13.2 44 69 A a G > S- 0 0 1 110,-0.5 3,-1.3 100,-0.5 -1,-0.2 -0.319 71.3 -14.8 55.6-140.9 -53.6 0.6 -16.2 45 70 A S G > S+ 0 0 9 1,-0.3 3,-1.7 2,-0.2 -1,-0.3 0.513 119.4 85.0 -72.7 -5.1 -49.9 1.1 -15.6 46 71 A T G X> S+ 0 0 0 -3,-2.1 3,-1.4 1,-0.3 4,-0.5 0.737 77.6 72.1 -68.8 -15.9 -50.1 0.3 -11.9 47 72 A S H <> S+ 0 0 1 -3,-1.3 4,-1.7 1,-0.3 -1,-0.3 0.638 77.6 79.3 -69.9 -14.5 -49.8 -3.3 -12.9 48 73 A K H <> S+ 0 0 0 -3,-1.7 4,-2.5 1,-0.2 -1,-0.3 0.745 84.4 60.6 -66.1 -23.5 -46.2 -2.5 -13.8 49 74 A V H <> S+ 0 0 3 -3,-1.4 4,-2.3 -4,-0.2 -1,-0.2 0.958 105.2 45.7 -68.2 -49.3 -45.3 -2.8 -10.1 50 75 A M H X S+ 0 0 2 -4,-0.5 4,-1.4 1,-0.2 -2,-0.2 0.872 114.6 51.5 -59.6 -36.7 -46.4 -6.4 -9.9 51 76 A T H X S+ 0 0 0 -4,-1.7 4,-1.3 2,-0.2 -2,-0.2 0.928 110.5 44.2 -67.1 -49.0 -44.5 -7.1 -13.1 52 77 A A H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.850 112.5 55.1 -65.9 -31.7 -41.2 -5.5 -12.0 53 78 A A H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.830 100.8 57.9 -69.8 -32.6 -41.6 -7.4 -8.7 54 79 A A H X S+ 0 0 7 -4,-1.4 4,-1.4 2,-0.2 -1,-0.2 0.874 108.6 46.7 -64.5 -36.5 -42.0 -10.7 -10.5 55 80 A V H X S+ 0 0 0 -4,-1.3 4,-1.7 2,-0.2 -2,-0.2 0.926 110.2 51.9 -70.8 -45.0 -38.6 -10.1 -12.1 56 81 A L H < S+ 0 0 0 -4,-2.1 4,-0.5 1,-0.2 -2,-0.2 0.907 106.1 55.9 -57.8 -41.6 -37.1 -9.1 -8.7 57 82 A K H >< S+ 0 0 69 -4,-2.6 3,-1.5 1,-0.2 4,-0.4 0.907 104.3 53.1 -57.8 -42.1 -38.4 -12.3 -7.2 58 83 A Q H >X S+ 0 0 59 -4,-1.4 4,-2.6 1,-0.3 3,-2.0 0.881 99.2 62.8 -61.0 -39.2 -36.6 -14.3 -9.9 59 84 A S T 3< S+ 0 0 11 -4,-1.7 -1,-0.3 1,-0.3 5,-0.2 0.640 88.8 71.4 -62.5 -13.1 -33.3 -12.6 -9.0 60 85 A E T <4 S+ 0 0 61 -3,-1.5 -1,-0.3 -4,-0.5 -2,-0.2 0.777 115.7 21.3 -72.8 -24.5 -33.6 -14.2 -5.6 61 86 A T T <4 S+ 0 0 103 -3,-2.0 2,-1.2 -4,-0.4 -2,-0.2 0.814 119.1 58.8-106.8 -52.0 -32.8 -17.5 -7.2 62 87 A H S >< S- 0 0 106 -4,-2.6 3,-1.8 2,-0.0 4,-0.2 -0.705 84.9-138.6 -88.9 96.6 -31.0 -16.8 -10.4 63 88 A D T 3 S+ 0 0 154 -2,-1.2 -3,-0.1 1,-0.3 -4,-0.0 -0.250 80.3 6.7 -56.5 131.6 -28.0 -14.7 -9.5 64 89 A G T > S+ 0 0 50 -5,-0.2 3,-1.9 1,-0.1 -1,-0.3 0.477 83.7 129.8 76.0 3.5 -27.2 -11.8 -11.8 65 90 A I G X + 0 0 18 -3,-1.8 3,-2.0 1,-0.3 29,-0.4 0.771 62.6 68.9 -61.6 -26.0 -30.4 -12.1 -13.8 66 91 A L G 3 S+ 0 0 30 1,-0.3 29,-2.5 -4,-0.2 30,-0.4 0.738 99.4 52.5 -64.7 -18.7 -31.1 -8.4 -13.4 67 92 A Q G < S+ 0 0 115 -3,-1.9 -1,-0.3 26,-0.2 -2,-0.2 0.350 80.7 121.7 -96.0 3.3 -28.1 -7.9 -15.6 68 93 A Q < - 0 0 98 -3,-2.0 26,-1.4 -4,-0.1 2,-0.3 -0.455 60.7-127.8 -66.8 141.5 -29.5 -10.2 -18.3 69 94 A K E -F 93 0C 134 24,-0.2 2,-0.4 -2,-0.1 24,-0.2 -0.670 22.1-169.4 -99.4 148.6 -29.8 -8.3 -21.6 70 95 A M E -F 92 0C 34 22,-2.0 22,-1.9 -2,-0.3 2,-0.1 -1.000 26.7-121.3-132.1 131.4 -32.7 -7.9 -24.0 71 96 A T E -F 91 0C 72 -2,-0.4 2,-0.6 20,-0.2 20,-0.2 -0.472 18.4-144.7 -72.6 143.1 -32.3 -6.4 -27.5 72 97 A I E -F 90 0C 1 18,-2.7 17,-2.5 15,-0.4 18,-0.7 -0.950 23.8-178.2-110.5 114.9 -34.4 -3.3 -28.2 73 98 A K >> - 0 0 123 -2,-0.6 3,-2.6 15,-0.2 4,-0.8 -0.833 40.8-114.1-114.5 153.6 -35.6 -3.3 -31.8 74 99 A K G >4 S+ 0 0 167 -2,-0.3 3,-1.2 1,-0.3 -1,-0.1 0.875 118.3 59.8 -48.5 -41.5 -37.7 -0.7 -33.6 75 100 A A G 34 S+ 0 0 97 1,-0.3 -1,-0.3 -3,-0.0 -3,-0.0 0.672 97.6 60.7 -63.1 -18.4 -40.4 -3.3 -33.9 76 101 A D G <4 S+ 0 0 50 -3,-2.6 -1,-0.3 2,-0.0 -2,-0.2 0.739 82.4 109.1 -80.8 -24.7 -40.5 -3.5 -30.1 77 102 A L << - 0 0 56 -3,-1.2 2,-0.1 -4,-0.8 4,-0.1 -0.105 44.6-179.4 -56.8 149.4 -41.5 0.2 -29.8 78 103 A T - 0 0 36 2,-0.0 3,-0.2 64,-0.0 -1,-0.1 -0.330 50.3 -66.0-126.2-153.2 -45.0 1.2 -28.6 79 104 A N S S+ 0 0 108 1,-0.2 2,-0.3 -2,-0.1 -2,-0.1 0.558 123.6 40.1 -82.1 -8.4 -46.9 4.4 -28.0 80 105 A W + 0 0 130 1,-0.1 27,-1.5 25,-0.0 28,-1.1 -0.834 57.4 147.2-146.9 105.1 -44.7 5.3 -25.1 81 106 A N > + 0 0 19 -2,-0.3 4,-1.8 -3,-0.2 5,-0.2 -0.316 7.8 153.6-133.2 50.7 -40.9 4.8 -25.2 82 107 A P T 4 S+ 0 0 23 0, 0.0 -1,-0.1 0, 0.0 23,-0.0 0.818 88.4 14.4 -50.4 -35.3 -39.3 7.6 -23.1 83 108 A V T >4 S+ 0 0 23 -3,-0.1 3,-2.1 2,-0.1 4,-0.3 0.821 123.0 57.7-106.0 -50.8 -36.3 5.4 -22.3 84 109 A T G >4 S+ 0 0 0 1,-0.3 3,-1.8 2,-0.2 4,-0.2 0.786 95.0 67.0 -53.2 -33.3 -36.4 2.4 -24.7 85 110 A E G >< S+ 0 0 109 -4,-1.8 3,-0.7 1,-0.3 -1,-0.3 0.749 95.3 58.6 -62.8 -21.4 -36.3 4.7 -27.7 86 111 A K G < S+ 0 0 161 -3,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.608 105.0 50.9 -82.0 -12.0 -32.8 5.7 -26.7 87 112 A Y G X S+ 0 0 68 -3,-1.8 3,-2.0 -4,-0.3 -15,-0.4 0.221 70.7 138.6-110.8 14.4 -31.7 2.0 -26.9 88 113 A V T < S+ 0 0 63 -3,-0.7 -15,-0.2 1,-0.3 3,-0.1 -0.410 80.2 20.1 -61.1 129.7 -32.9 1.0 -30.3 89 114 A G T 3 S+ 0 0 74 -17,-2.5 -1,-0.3 1,-0.4 2,-0.2 0.683 123.7 73.5 82.1 17.4 -30.2 -1.1 -31.9 90 115 A N E < S-F 72 0C 89 -3,-2.0 -18,-2.7 -18,-0.7 -1,-0.4 -0.744 80.0-105.9-143.3-171.9 -28.8 -1.7 -28.4 91 116 A T E -F 71 0C 38 -20,-0.2 2,-0.3 -2,-0.2 -20,-0.2 -0.833 16.0-158.4-125.1 164.5 -29.7 -3.7 -25.3 92 117 A M E -F 70 0C 0 -22,-1.9 -22,-2.0 -2,-0.3 2,-0.1 -0.990 21.5-124.3-139.5 141.5 -31.1 -3.0 -21.9 93 118 A T E > -F 69 0C 12 -2,-0.3 4,-2.4 -24,-0.2 -24,-0.2 -0.385 30.8-107.5 -80.9 165.0 -30.8 -5.2 -18.8 94 119 A L H > S+ 0 0 0 -26,-1.4 4,-2.5 -29,-0.4 -27,-0.2 0.862 122.6 54.2 -61.0 -33.0 -33.8 -6.4 -16.9 95 120 A A H > S+ 0 0 17 -29,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.944 108.8 45.7 -65.6 -48.3 -32.9 -3.9 -14.2 96 121 A E H > S+ 0 0 78 -30,-0.4 4,-2.3 1,-0.2 -2,-0.2 0.874 114.2 50.5 -62.5 -36.4 -32.8 -1.0 -16.6 97 122 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.899 110.2 49.0 -67.6 -42.0 -36.1 -2.2 -18.1 98 123 A S H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 5,-0.2 0.922 112.5 48.6 -63.8 -43.4 -37.6 -2.4 -14.6 99 124 A A H X S+ 0 0 20 -4,-2.6 4,-2.6 2,-0.2 5,-0.4 0.906 111.9 49.0 -63.2 -43.4 -36.4 1.1 -13.8 100 125 A A H X S+ 0 0 3 -4,-2.3 4,-2.0 1,-0.2 6,-1.5 0.938 112.8 45.8 -63.5 -47.2 -37.7 2.5 -17.0 101 126 A T H < S+ 0 0 0 -4,-2.4 -1,-0.2 4,-0.3 -2,-0.2 0.831 119.1 41.7 -68.3 -30.7 -41.2 1.0 -16.7 102 127 A L H < S+ 0 0 1 -4,-1.9 108,-0.2 -5,-0.2 -2,-0.2 0.902 123.6 32.9 -82.9 -43.0 -41.6 2.0 -13.1 103 128 A Q H < S+ 0 0 38 -4,-2.6 87,-2.0 -5,-0.2 88,-0.2 0.719 137.4 20.5 -89.5 -22.3 -40.1 5.5 -13.1 104 129 A Y S < S- 0 0 105 -4,-2.0 -3,-0.2 -5,-0.4 3,-0.2 0.374 97.7-124.1-123.4 -2.1 -41.1 6.7 -16.6 105 130 A S - 0 0 14 -5,-0.5 -4,-0.3 -6,-0.2 -3,-0.1 0.769 38.2-171.6 61.2 29.2 -44.0 4.2 -17.2 106 131 A D > - 0 0 0 -6,-1.5 4,-1.4 1,-0.2 -1,-0.2 -0.318 13.2-160.3 -54.3 117.8 -42.2 3.1 -20.4 107 132 A N H > S+ 0 0 9 -27,-1.5 4,-2.0 2,-0.2 34,-0.3 0.846 88.9 52.8 -73.0 -35.7 -44.7 0.7 -22.1 108 133 A T H > S+ 0 0 1 -28,-1.1 4,-2.1 2,-0.2 -1,-0.2 0.903 106.7 53.2 -66.4 -40.2 -42.0 -1.0 -24.3 109 134 A A H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.919 107.9 52.7 -59.2 -42.6 -40.0 -1.8 -21.2 110 135 A M H X S+ 0 0 0 -4,-1.4 4,-2.4 1,-0.2 -2,-0.2 0.928 108.6 48.3 -58.2 -48.7 -43.1 -3.4 -19.7 111 136 A N H X S+ 0 0 27 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.849 107.9 55.2 -63.7 -33.8 -43.6 -5.6 -22.7 112 137 A K H X S+ 0 0 20 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.910 109.9 47.0 -65.1 -40.0 -40.0 -6.7 -22.7 113 138 A L H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.903 110.7 51.2 -67.5 -41.7 -40.4 -7.8 -19.1 114 139 A L H X>S+ 0 0 6 -4,-2.4 5,-3.2 2,-0.2 4,-1.3 0.928 110.8 49.5 -60.7 -43.7 -43.6 -9.6 -19.9 115 140 A A H ><5S+ 0 0 65 -4,-2.6 3,-0.6 3,-0.2 -2,-0.2 0.936 111.4 48.2 -60.3 -48.4 -41.8 -11.4 -22.7 116 141 A H H 3<5S+ 0 0 44 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.919 113.5 48.0 -57.4 -44.8 -39.0 -12.3 -20.4 117 142 A L H 3<5S- 0 0 17 -4,-2.8 -1,-0.2 -5,-0.1 -2,-0.2 0.655 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