==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-NOV-07 3BFC . COMPND 2 MOLECULE: CLASS A BETA-LACTAMASE SED1; . SOURCE 2 ORGANISM_SCIENTIFIC: CITROBACTER SEDLAKII; . AUTHOR L.PERNOT,S.PETRELLA,W.SOUGAKOFF . 1048 4 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 42130.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 763 72.8 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 . 164 15.6 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 . 40 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 146 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 334 31.9 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 1 7 7 12 1 4 0 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 0 4 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 26 A V > 0 0 115 0, 0.0 4,-2.3 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 -52.4 -14.3 10.3 43.0 2 27 A Q H > + 0 0 164 1,-0.3 4,-1.5 2,-0.2 5,-0.1 0.685 360.0 54.3 -65.1 -16.2 -18.0 10.9 42.0 3 28 A Q H > S+ 0 0 117 2,-0.2 4,-1.8 1,-0.1 -1,-0.3 0.813 105.8 50.4 -83.6 -35.0 -16.7 14.3 40.8 4 29 A V H > S+ 0 0 30 -3,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.863 110.8 51.9 -68.2 -35.4 -14.0 12.5 38.7 5 30 A Q H X S+ 0 0 62 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.913 108.5 47.8 -67.3 -45.1 -16.8 10.4 37.4 6 31 A K H X S+ 0 0 146 -4,-1.5 4,-1.6 1,-0.2 -1,-0.2 0.852 112.0 51.6 -66.9 -32.4 -19.1 13.3 36.4 7 32 A K H X S+ 0 0 105 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.912 110.3 47.1 -70.7 -41.7 -16.1 15.0 34.7 8 33 A L H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.940 112.6 49.7 -63.6 -46.8 -15.2 12.0 32.6 9 34 A A H X S+ 0 0 39 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.856 112.5 48.0 -60.2 -35.5 -18.8 11.5 31.6 10 35 A A H X S+ 0 0 44 -4,-1.6 4,-1.9 -5,-0.2 -1,-0.2 0.867 109.4 53.4 -73.5 -35.9 -19.0 15.2 30.6 11 36 A L H X S+ 0 0 20 -4,-2.2 4,-1.3 2,-0.2 -2,-0.2 0.905 111.0 46.3 -63.4 -43.3 -15.7 14.9 28.7 12 37 A E H X>S+ 0 0 16 -4,-2.5 4,-1.6 2,-0.2 5,-0.8 0.940 111.4 50.4 -65.3 -48.7 -17.1 12.0 26.7 13 38 A K H <5S+ 0 0 179 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.845 112.2 47.7 -59.5 -36.2 -20.4 13.6 25.9 14 39 A Q H <5S+ 0 0 165 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.747 109.8 53.7 -76.0 -25.9 -18.6 16.8 24.7 15 40 A S H <5S- 0 0 15 -4,-1.3 -2,-0.2 -3,-0.4 -1,-0.2 0.753 98.2-137.4 -80.5 -26.4 -16.2 14.8 22.6 16 41 A G T <5S+ 0 0 51 -4,-1.6 -3,-0.1 1,-0.3 2,-0.1 0.626 70.3 87.7 79.0 12.2 -19.0 12.9 20.7 17 42 A G S >> -AB 231 30A 19 5,-2.3 4,-1.9 -2,-0.5 3,-1.0 -0.883 1.4-161.8 -99.4 107.4 -3.0 3.5 41.9 26 51 A T T 345S+ 0 0 25 204,-1.9 -1,-0.1 -2,-0.8 205,-0.1 0.525 81.2 77.1 -67.9 -2.4 -0.3 1.1 43.1 27 52 A A T 345S- 0 0 67 202,-0.2 -1,-0.2 203,-0.2 204,-0.1 0.911 126.0 -7.2 -72.9 -41.3 -0.3 3.0 46.4 28 53 A D T <45S- 0 0 106 -3,-1.0 -2,-0.2 2,-0.1 -1,-0.1 0.189 95.2-111.0-138.1 11.8 -3.5 1.4 47.7 29 54 A N T <5 + 0 0 94 -4,-1.9 -3,-0.2 1,-0.2 2,-0.0 0.712 63.8 157.1 60.2 22.5 -4.6 -0.6 44.6 30 55 A S E < -B 25 0A 50 -5,-0.7 -5,-2.3 -6,-0.0 2,-0.4 -0.341 27.3-147.0 -71.9 160.7 -7.6 1.9 44.2 31 56 A Q E -B 24 0A 89 -7,-0.2 2,-0.6 -3,-0.1 -7,-0.2 -0.985 19.6-158.8-137.4 145.6 -9.1 2.2 40.7 32 57 A V E -B 23 0A 21 -9,-1.9 -9,-1.9 -2,-0.4 2,-0.4 -0.972 29.3-177.4-119.5 110.9 -10.8 4.8 38.6 33 59 A L E +B 22 0A 59 -2,-0.6 2,-0.3 -11,-0.2 -11,-0.2 -0.890 20.9 169.9-118.1 143.9 -12.9 3.1 35.9 34 60 A Y E S-B 21 0A 29 -13,-2.4 -13,-2.9 -2,-0.4 -2,-0.0 -0.870 87.1 -23.4-149.4 109.9 -15.0 4.4 33.0 35 61 A R S > S+ 0 0 103 -2,-0.3 3,-1.2 -15,-0.2 123,-0.1 0.828 90.4 155.3 53.1 30.8 -16.3 1.8 30.5 36 62 A A T 3 + 0 0 4 1,-0.2 122,-2.0 -15,-0.2 123,-0.5 0.669 65.1 46.5 -63.1 -20.7 -13.3 -0.1 31.8 37 63 A D T 3 S+ 0 0 133 119,-0.1 -1,-0.2 120,-0.1 2,-0.1 0.493 91.1 100.3-101.8 -4.3 -14.8 -3.5 30.9 38 64 A E S < S- 0 0 67 -3,-1.2 2,-0.3 1,-0.1 120,-0.1 -0.472 77.1-111.0 -78.7 152.2 -15.9 -2.6 27.4 39 65 A R + 0 0 78 117,-0.2 2,-0.3 -2,-0.1 117,-0.2 -0.637 35.6 179.2 -87.8 141.5 -13.8 -3.6 24.4 40 66 A F E -E 155 0B 1 115,-2.4 115,-1.6 -2,-0.3 2,-0.3 -0.956 38.3 -99.4-135.6 153.9 -11.9 -1.0 22.3 41 67 A A E -E 154 0B 14 -2,-0.3 113,-0.2 113,-0.2 196,-0.2 -0.606 31.6-165.4 -73.4 130.8 -9.6 -1.4 19.3 42 68 A M > + 0 0 0 111,-1.9 3,-2.4 -2,-0.3 4,-0.2 0.744 21.7 162.9 -87.6 -26.9 -6.0 -1.3 20.6 43 69 A a G > S+ 0 0 0 110,-0.6 3,-2.5 100,-0.4 4,-0.2 -0.103 73.3 8.1 34.4-126.1 -4.3 -0.7 17.3 44 70 A S G > S+ 0 0 9 1,-0.3 3,-1.7 2,-0.2 -1,-0.3 0.689 120.8 69.3 -51.1 -25.5 -0.7 0.5 18.1 45 71 A T G X S+ 0 0 0 -3,-2.4 3,-1.2 1,-0.3 4,-0.5 0.685 84.4 73.6 -70.1 -11.9 -1.0 -0.0 21.8 46 72 A S G <> S+ 0 0 0 -3,-2.5 4,-1.8 1,-0.2 -1,-0.3 0.647 76.8 78.6 -72.9 -14.8 -0.9 -3.8 21.1 47 73 A K H <> S+ 0 0 0 -3,-1.7 4,-2.4 -4,-0.2 -1,-0.2 0.706 84.2 63.2 -66.6 -19.1 2.8 -3.4 20.2 48 74 A V H <> S+ 0 0 0 -3,-1.2 4,-2.4 2,-0.2 -1,-0.2 0.957 104.6 43.0 -70.0 -51.1 3.5 -3.4 24.0 49 75 A M H > S+ 0 0 0 -4,-0.5 4,-1.5 1,-0.2 -2,-0.2 0.913 115.7 52.2 -59.5 -41.3 2.2 -7.0 24.6 50 76 A T H X S+ 0 0 0 -4,-1.8 4,-1.3 2,-0.2 3,-0.2 0.918 110.3 45.0 -62.4 -47.2 4.0 -8.0 21.4 51 77 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.880 110.5 56.3 -65.2 -36.3 7.4 -6.6 22.4 52 78 A A H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.821 101.8 56.2 -65.7 -30.6 6.9 -8.1 25.8 53 79 A A H X S+ 0 0 8 -4,-1.5 4,-1.6 -3,-0.2 -1,-0.2 0.879 107.5 48.7 -68.5 -37.1 6.5 -11.5 24.2 54 80 A V H X S+ 0 0 0 -4,-1.3 4,-1.6 1,-0.2 -2,-0.2 0.920 110.9 50.5 -67.4 -40.9 9.8 -11.1 22.6 55 81 A L H < S+ 0 0 0 -4,-2.1 4,-0.5 1,-0.2 -2,-0.2 0.851 104.0 59.1 -64.1 -35.5 11.4 -10.1 25.9 56 82 A K H >< S+ 0 0 68 -4,-2.0 3,-1.7 1,-0.2 4,-0.4 0.940 103.3 51.7 -59.3 -46.1 9.8 -13.1 27.5 57 83 A Q H >X S+ 0 0 53 -4,-1.6 3,-2.4 1,-0.3 4,-2.3 0.904 99.3 64.5 -56.0 -44.0 11.8 -15.4 25.1 58 84 A S T 3< S+ 0 0 20 -4,-1.6 -1,-0.3 1,-0.3 5,-0.2 0.631 87.9 70.6 -57.4 -14.7 15.0 -13.6 26.0 59 85 A E T <4 S+ 0 0 69 -3,-1.7 -1,-0.3 -4,-0.5 -2,-0.2 0.764 117.7 19.2 -73.0 -24.5 14.7 -14.9 29.5 60 86 A T T <4 S+ 0 0 113 -3,-2.4 2,-0.7 -4,-0.4 -2,-0.2 0.569 117.5 67.2-119.2 -18.1 15.5 -18.4 28.2 61 87 A H S >< S- 0 0 102 -4,-2.3 3,-1.7 0, 0.0 4,-0.2 -0.861 83.5-135.2-110.2 98.1 17.1 -17.8 24.9 62 88 A D T 3 S- 0 0 165 -2,-0.7 -3,-0.1 1,-0.3 -4,-0.0 -0.213 80.2 -2.0 -55.1 132.5 20.5 -16.1 25.5 63 89 A G T > S+ 0 0 29 -5,-0.2 3,-2.3 1,-0.1 -1,-0.3 0.574 81.4 140.6 63.9 13.1 21.3 -13.1 23.3 64 90 A I G X + 0 0 15 -3,-1.7 3,-2.0 1,-0.3 29,-0.4 0.837 65.3 64.5 -55.5 -33.3 18.1 -13.4 21.2 65 91 A L G 3 S+ 0 0 25 1,-0.3 29,-1.9 -4,-0.2 30,-0.3 0.628 98.4 55.6 -66.6 -11.5 17.7 -9.6 21.2 66 92 A Q G < S+ 0 0 119 -3,-2.3 -1,-0.3 26,-0.2 2,-0.2 0.367 81.0 116.9 -99.5 1.7 21.0 -9.4 19.2 67 93 A Q < - 0 0 116 -3,-2.0 26,-1.5 -4,-0.2 2,-0.2 -0.522 61.4-132.2 -72.3 135.7 19.5 -11.7 16.5 68 94 A K E -F 92 0C 137 -2,-0.2 2,-0.4 24,-0.2 24,-0.2 -0.598 19.6-169.5 -95.8 152.3 19.3 -10.1 13.1 69 95 A M E -F 91 0C 41 22,-1.7 22,-2.0 -2,-0.2 2,-0.3 -0.997 26.9-118.8-135.7 136.2 16.4 -9.9 10.6 70 96 A T E -F 90 0C 77 -2,-0.4 2,-0.5 20,-0.2 20,-0.2 -0.601 19.3-147.2 -81.8 134.5 16.8 -8.6 7.0 71 97 A I E -F 89 0C 0 18,-3.6 17,-2.5 15,-0.4 18,-0.6 -0.889 20.3-178.1-102.5 126.0 14.7 -5.6 6.0 72 98 A K >> - 0 0 99 -2,-0.5 3,-3.0 15,-0.2 4,-0.9 -0.935 41.4-113.6-125.8 148.3 13.6 -5.5 2.3 73 99 A K T 34 S+ 0 0 153 -2,-0.3 3,-0.3 1,-0.3 -1,-0.1 0.746 117.4 61.7 -48.6 -26.2 11.6 -2.9 0.3 74 100 A A T 34 S+ 0 0 84 1,-0.2 -1,-0.3 0, 0.0 -3,-0.0 0.724 96.5 58.3 -74.6 -22.2 8.9 -5.6 0.1 75 101 A D T <4 S+ 0 0 45 -3,-3.0 -1,-0.2 8,-0.1 -2,-0.2 0.768 82.2 110.0 -77.4 -26.7 8.5 -5.6 3.9 76 102 A L < - 0 0 47 -4,-0.9 2,-0.1 -3,-0.3 4,-0.1 -0.160 45.4-179.6 -54.0 140.0 7.6 -1.9 4.0 77 103 A T - 0 0 37 2,-0.1 3,-0.2 64,-0.0 -1,-0.1 -0.082 50.9 -61.6-115.4-144.8 4.1 -0.9 4.9 78 104 A N S S+ 0 0 106 1,-0.2 2,-0.3 -2,-0.1 -2,-0.1 0.479 124.2 36.4 -88.2 -4.3 2.2 2.4 5.2 79 105 A W + 0 0 141 1,-0.0 27,-2.0 2,-0.0 28,-0.9 -0.769 57.8 148.1-153.4 101.0 4.4 3.6 8.1 80 106 A N > + 0 0 15 -2,-0.3 4,-1.7 -3,-0.2 5,-0.2 -0.391 5.8 157.4-132.2 58.1 8.1 2.9 8.3 81 107 A P T 4 S+ 0 0 33 0, 0.0 -1,-0.1 0, 0.0 23,-0.1 0.818 87.7 15.7 -51.3 -35.1 9.8 5.8 10.0 82 108 A V T >4 S+ 0 0 23 -3,-0.1 3,-2.5 2,-0.1 4,-0.2 0.824 121.2 58.0-106.0 -52.1 12.8 3.7 11.0 83 109 A T G >4 S+ 0 0 0 1,-0.3 3,-2.2 2,-0.2 4,-0.2 0.804 97.0 64.3 -52.8 -33.4 12.7 0.5 8.9 84 110 A E G >< S+ 0 0 113 -4,-1.7 3,-0.5 1,-0.3 -1,-0.3 0.689 95.2 62.1 -65.9 -14.7 12.8 2.5 5.6 85 111 A K G < S+ 0 0 114 -3,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.468 105.8 46.3 -87.0 -2.9 16.2 3.6 6.8 86 112 A Y G X S+ 0 0 25 -3,-2.2 3,-2.6 -4,-0.2 -15,-0.4 0.221 72.7 150.6-122.4 12.8 17.4 0.0 6.7 87 113 A V T < S+ 0 0 59 -3,-0.5 -15,-0.2 1,-0.3 3,-0.1 -0.202 78.3 14.8 -48.8 131.7 16.1 -1.3 3.4 88 114 A G T 3 S+ 0 0 33 -17,-2.5 -1,-0.3 1,-0.3 2,-0.2 0.586 120.0 82.9 77.3 9.9 18.5 -4.0 2.2 89 115 A N E < S-F 71 0C 66 -3,-2.6 -18,-3.6 -18,-0.6 2,-0.3 -0.705 76.7 -96.3-133.0-175.2 20.1 -4.3 5.6 90 116 A T E -F 70 0C 55 -20,-0.2 2,-0.4 -2,-0.2 -20,-0.2 -0.780 21.4-169.4-111.8 153.9 19.6 -5.9 9.0 91 117 A M E -F 69 0C 1 -22,-2.0 -22,-1.7 -2,-0.3 2,-0.1 -0.993 24.4-124.0-136.0 138.2 18.1 -4.8 12.3 92 118 A T E > -F 68 0C 15 -2,-0.4 4,-2.7 -24,-0.2 5,-0.2 -0.392 29.9-108.1 -78.3 162.8 18.3 -6.7 15.6 93 119 A L H > S+ 0 0 2 -26,-1.5 4,-2.2 -29,-0.4 -27,-0.2 0.818 122.4 54.0 -59.7 -30.8 15.2 -7.7 17.5 94 120 A A H > S+ 0 0 18 -29,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.935 109.8 45.7 -68.3 -46.9 16.1 -5.1 20.1 95 121 A E H > S+ 0 0 59 -30,-0.3 4,-2.6 1,-0.2 -2,-0.2 0.890 114.5 48.7 -62.5 -40.4 16.3 -2.4 17.4 96 122 A L H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.887 111.5 49.5 -66.8 -39.1 13.0 -3.6 15.9 97 123 A S H X S+ 0 0 0 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.886 112.7 47.6 -66.6 -38.5 11.4 -3.6 19.3 98 124 A A H X S+ 0 0 18 -4,-2.5 4,-3.0 2,-0.2 5,-0.5 0.924 112.3 48.0 -68.5 -44.5 12.6 -0.1 19.9 99 125 A A H X S+ 0 0 4 -4,-2.6 6,-2.0 1,-0.2 4,-1.4 0.894 113.2 50.3 -62.2 -39.3 11.5 1.1 16.5 100 126 A T H < S+ 0 0 0 -4,-2.3 -1,-0.2 4,-0.3 -2,-0.2 0.884 119.8 33.4 -64.7 -44.0 8.1 -0.5 17.1 101 127 A L H < S+ 0 0 1 -4,-2.1 108,-0.3 3,-0.1 -2,-0.2 0.849 125.1 36.9 -83.8 -40.1 7.6 1.0 20.6 102 128 A Q H < S+ 0 0 6 -4,-3.0 87,-1.9 -5,-0.2 88,-0.3 0.734 134.9 19.5 -90.5 -24.8 9.2 4.5 20.3 103 129 A Y S < S- 0 0 95 -4,-1.4 -3,-0.2 -5,-0.5 -2,-0.1 0.398 97.1-126.1-121.8 -2.9 8.3 5.4 16.7 104 130 A S - 0 0 12 -5,-0.4 -4,-0.3 -6,-0.3 2,-0.2 0.833 36.4-169.9 59.3 37.5 5.4 3.0 16.2 105 131 A D > - 0 0 0 -6,-2.0 4,-1.7 1,-0.1 -1,-0.2 -0.406 15.8-156.5 -62.6 121.2 7.0 1.5 13.1 106 132 A N H > S+ 0 0 8 -27,-2.0 4,-1.9 -2,-0.2 34,-0.2 0.836 91.5 51.3 -67.9 -37.5 4.5 -0.8 11.3 107 133 A T H > S+ 0 0 1 -28,-0.9 4,-1.6 2,-0.2 -1,-0.2 0.866 108.5 51.4 -69.9 -36.7 7.1 -2.8 9.5 108 134 A A H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.921 107.5 54.4 -65.9 -41.2 9.0 -3.4 12.7 109 135 A M H X S+ 0 0 0 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.926 109.1 47.3 -56.4 -46.8 5.8 -4.7 14.2 110 136 A N H X S+ 0 0 32 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.784 108.4 55.7 -67.1 -27.7 5.3 -7.1 11.4 111 137 A K H X S+ 0 0 24 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.915 109.1 46.4 -69.9 -41.5 8.9 -8.3 11.7 112 138 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.919 111.9 51.7 -65.5 -41.9 8.3 -9.1 15.4 113 139 A L H X>S+ 0 0 6 -4,-2.3 5,-2.9 1,-0.2 4,-1.0 0.901 109.0 49.7 -61.2 -41.9 5.1 -10.9 14.5 114 140 A A H <5S+ 0 0 71 -4,-2.1 3,-0.5 3,-0.2 -1,-0.2 0.902 111.2 50.2 -63.8 -40.6 6.9 -13.0 11.9 115 141 A H H <5S+ 0 0 63 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.929 112.4 46.6 -62.3 -45.4 9.5 -13.8 14.4 116 142 A L H <5S- 0 0 17 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.566 119.6-107.6 -74.9 -11.5 6.9 -14.8 17.0 117 143 A G T <5S- 0 0 57 -4,-1.0 -3,-0.2 -3,-0.5 3,-0.2 0.647 72.2 -46.7 94.8 15.9 4.9 -16.9 14.5 118 144 A G S >>> S+ 0 0 27 0, 0.0 4,-1.9 0, 0.0 3,-0.5 0.706 120.6 71.6 -66.6 -22.1 -0.5 -12.7 16.2 120 146 A G H 3> S+ 0 0 47 1,-0.2 4,-2.0 2,-0.2 -2,-0.1 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110.6 49.4 -63.9 -39.7 76.1 12.7 -5.3 886 123 D S H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.926 112.4 47.0 -64.6 -44.4 73.5 12.6 -2.5 887 124 D A H X S+ 0 0 19 -4,-2.2 4,-3.0 1,-0.2 5,-0.4 0.905 112.6 49.6 -63.0 -43.0 72.3 9.1 -3.4 888 125 D A H X S+ 0 0 5 -4,-2.6 6,-1.8 1,-0.2 4,-1.2 0.845 113.0 48.0 -64.3 -35.0 75.9 7.9 -3.7 889 126 D T H < S+ 0 0 0 -4,-1.9 4,-0.4 4,-0.2 -2,-0.2 0.891 119.4 37.2 -72.6 -42.8 76.7 9.4 -0.3 890 127 D L H < S+ 0 0 1 -4,-2.5 108,-0.2 -5,-0.1 -2,-0.2 0.844 124.1 36.5 -80.4 -36.9 73.7 7.9 1.4 891 128 D Q H < S+ 0 0 37 -4,-3.0 87,-1.7 -5,-0.2 88,-0.2 0.685 134.6 19.5 -95.0 -19.0 73.4 4.5 -0.3 892 129 D Y S < S- 0 0 104 -4,-1.2 -3,-0.2 -5,-0.4 3,-0.2 0.336 96.6-124.5-127.0 0.5 77.1 3.6 -0.7 893 130 D S - 0 0 12 -4,-0.4 2,-0.4 -6,-0.2 -4,-0.2 0.868 38.0-170.8 55.6 41.6 78.6 5.9 1.9 894 131 D D > - 0 0 0 -6,-1.8 4,-1.9 1,-0.2 -1,-0.2 -0.502 15.0-158.2 -68.1 116.2 80.9 7.4 -0.8 895 132 D N H > S+ 0 0 7 -27,-2.0 4,-2.0 -2,-0.4 34,-0.3 0.855 90.6 50.7 -64.2 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