==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-JUL-03 1PZO . COMPND 2 MOLECULE: BETA-LACTAMASE TEM; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.R.HORN,B.K.SHOICHET . 263 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11826.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 184 70.0 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 . 38 14.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 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 . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 97 36.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 1 0 0 0 3 1 1 2 0 0 1 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 . 0 2 0 1 0 0 1 2 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 . 2 0 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 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 H >> 0 0 86 0, 0.0 3,-1.5 0, 0.0 4,-0.9 0.000 360.0 360.0 360.0 139.6 3.0 1.8 9.1 2 27 A P H 3> + 0 0 78 0, 0.0 4,-1.5 0, 0.0 3,-0.3 0.790 360.0 71.0 -60.9 -26.1 6.6 1.5 7.9 3 28 A E H 3> S+ 0 0 91 1,-0.2 4,-1.3 2,-0.2 256,-0.1 0.841 95.0 54.6 -58.2 -30.6 6.7 5.3 7.6 4 29 A T H <> S+ 0 0 1 -3,-1.5 4,-1.9 1,-0.2 -1,-0.2 0.888 101.7 56.3 -69.3 -37.0 6.7 5.5 11.4 5 30 A L H X S+ 0 0 40 -4,-0.9 4,-2.7 -3,-0.3 5,-0.2 0.844 100.0 61.0 -64.7 -27.8 9.8 3.2 11.5 6 31 A V H X S+ 0 0 67 -4,-1.5 4,-3.0 1,-0.2 -1,-0.2 0.952 105.7 46.4 -58.3 -45.0 11.5 5.7 9.3 7 32 A K H X S+ 0 0 52 -4,-1.3 4,-2.3 2,-0.2 -2,-0.2 0.879 110.4 52.7 -63.3 -37.7 11.0 8.2 12.1 8 33 A V H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.900 112.3 44.7 -65.0 -43.5 12.2 5.7 14.8 9 34 A K H X S+ 0 0 106 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.901 109.6 55.3 -67.6 -40.5 15.4 5.2 12.8 10 35 A D H X S+ 0 0 48 -4,-3.0 4,-2.5 -5,-0.2 5,-0.3 0.929 107.5 53.4 -51.1 -43.3 15.7 9.0 12.2 11 36 A A H X S+ 0 0 1 -4,-2.3 4,-2.6 1,-0.2 6,-0.3 0.912 104.3 51.8 -63.3 -46.0 15.5 9.2 16.0 12 37 A E H X>S+ 0 0 31 -4,-2.1 5,-1.2 1,-0.2 4,-1.1 0.884 113.8 46.9 -54.4 -39.7 18.3 6.7 16.5 13 38 A D H <5S+ 0 0 88 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.898 117.3 39.1 -64.3 -50.1 20.5 8.9 14.1 14 39 A Q H <5S+ 0 0 109 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.839 122.2 42.1 -80.3 -29.4 19.7 12.2 15.6 15 40 A L H <5S- 0 0 10 -4,-2.6 227,-0.6 -5,-0.3 228,-0.5 0.623 95.8-136.6 -88.6 -19.2 19.8 11.1 19.2 16 41 A G T <5 + 0 0 51 -4,-1.1 2,-0.3 -5,-0.3 -3,-0.2 0.915 68.7 104.9 63.4 43.6 22.9 8.8 18.8 17 42 A A S -A 232 0A 49 5,-2.6 4,-2.1 -2,-0.4 207,-0.3 -0.548 25.0-146.3 -62.4 126.8 -3.5 -3.9 18.4 26 51 A L T 4 S+ 0 0 16 205,-2.4 206,-0.2 -2,-0.3 -1,-0.2 0.876 91.1 50.6 -72.7 -35.5 -5.3 -3.6 21.7 27 52 A N T 4 S+ 0 0 140 204,-0.5 -1,-0.2 1,-0.1 205,-0.1 0.975 129.6 13.7 -65.0 -52.5 -8.1 -6.0 20.8 28 53 A S T 4 S- 0 0 66 2,-0.1 -2,-0.2 0, 0.0 -1,-0.1 0.659 91.4-125.6-100.3 -19.2 -6.0 -8.9 19.5 29 54 A G < + 0 0 18 -4,-2.1 -3,-0.1 1,-0.3 137,-0.0 0.448 52.9 156.8 81.1 1.7 -2.5 -8.1 20.7 30 55 A K - 0 0 149 -6,-0.1 -5,-2.6 1,-0.1 2,-0.6 -0.311 49.0-115.1 -61.6 144.0 -1.2 -8.5 17.1 31 56 A I E -B 24 0A 83 -7,-0.2 -7,-0.3 1,-0.2 3,-0.1 -0.709 33.0-178.5 -80.3 120.8 2.1 -6.6 16.7 32 57 A L E - 0 0 63 -9,-2.8 2,-0.3 -2,-0.6 -8,-0.2 0.837 68.1 -8.4 -87.4 -37.4 1.5 -3.8 14.1 33 58 A E E -B 23 0A 40 -10,-1.0 -10,-2.6 -29,-0.0 -1,-0.3 -0.970 68.4-177.8-154.0 151.4 5.0 -2.3 13.9 34 59 A S E -B 22 0A 43 -2,-0.3 2,-0.3 -12,-0.2 -12,-0.2 -0.995 15.5-173.1-155.1 150.2 8.2 -2.9 15.9 35 60 A F E S-B 21 0A 41 -14,-3.1 -14,-2.7 -2,-0.3 -2,-0.0 -0.952 85.8 -16.8-145.2 120.9 11.8 -1.8 16.3 36 61 A R S > S+ 0 0 87 -2,-0.3 3,-1.5 -16,-0.2 123,-0.1 0.889 82.2 168.6 49.5 44.4 14.2 -3.6 18.6 37 62 A P T 3 + 0 0 28 0, 0.0 122,-2.8 0, 0.0 123,-0.4 0.693 69.0 39.6 -64.2 -22.5 11.1 -5.2 20.2 38 63 A E T 3 S+ 0 0 163 120,-0.2 2,-0.3 121,-0.1 -2,-0.1 0.227 89.6 106.8-114.1 15.7 12.9 -7.8 22.3 39 64 A E S < S- 0 0 64 -3,-1.5 2,-0.2 1,-0.0 120,-0.1 -0.676 72.2-114.8 -89.7 152.4 15.9 -5.7 23.4 40 65 A R + 0 0 63 -2,-0.3 117,-0.3 117,-0.2 110,-0.1 -0.574 34.9 172.7 -92.1 149.4 15.9 -4.6 27.0 41 66 A F E -E 156 0B 0 115,-2.8 115,-2.2 -2,-0.2 198,-0.1 -0.987 42.9 -90.3-142.8 153.9 15.7 -1.0 28.2 42 67 A P E -E 155 0B 14 0, 0.0 113,-0.3 0, 0.0 196,-0.2 -0.421 29.1-150.0 -61.6 139.9 15.4 0.5 31.8 43 68 A M > + 0 0 1 111,-2.2 3,-1.9 101,-0.2 112,-0.1 0.779 27.7 174.6 -76.7 -33.4 11.7 0.9 32.7 44 69 A M G > S- 0 0 0 110,-0.5 3,-2.1 100,-0.4 -1,-0.2 -0.251 70.2 -14.1 52.4-140.7 12.3 3.8 35.0 45 70 A S G > S+ 0 0 10 1,-0.3 3,-1.8 167,-0.2 4,-0.3 0.602 122.3 82.5 -68.9 -11.7 9.0 5.3 36.2 46 71 A T G X> S+ 0 0 0 -3,-1.9 3,-1.2 1,-0.3 4,-0.6 0.796 78.4 71.4 -62.0 -25.5 7.0 3.3 33.7 47 72 A F H <> S+ 0 0 0 -3,-2.1 4,-2.3 1,-0.2 -1,-0.3 0.714 78.0 79.2 -57.7 -20.1 7.3 0.4 36.2 48 73 A K H <> S+ 0 0 0 -3,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.770 87.2 55.9 -68.4 -22.9 4.8 2.2 38.5 49 74 A V H <> S+ 0 0 0 -3,-1.2 4,-1.8 -4,-0.3 -1,-0.2 0.930 108.9 46.5 -69.3 -45.0 1.9 1.0 36.4 50 75 A L H X S+ 0 0 0 -4,-0.6 4,-2.2 1,-0.2 -2,-0.2 0.913 111.7 52.7 -60.5 -42.3 3.0 -2.5 36.9 51 76 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.918 110.7 45.3 -53.4 -54.5 3.5 -1.9 40.6 52 77 A a H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.761 108.4 57.7 -70.7 -24.2 -0.0 -0.5 41.0 53 78 A G H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.922 108.1 46.7 -60.9 -46.6 -1.4 -3.3 39.0 54 79 A A H X S+ 0 0 5 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.907 111.7 51.9 -65.4 -36.6 0.2 -5.7 41.6 55 80 A V H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 3,-0.4 0.948 110.2 48.3 -61.6 -45.4 -1.3 -3.5 44.3 56 81 A L H X S+ 0 0 0 -4,-2.5 4,-3.0 1,-0.2 -2,-0.2 0.883 104.9 58.4 -61.7 -38.9 -4.8 -3.7 42.7 57 82 A S H X S+ 0 0 34 -4,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.840 107.8 48.5 -56.6 -37.9 -4.4 -7.5 42.4 58 83 A R H <>S+ 0 0 59 -4,-1.5 5,-3.0 -3,-0.4 6,-1.0 0.837 108.2 52.7 -69.0 -41.5 -4.0 -7.6 46.2 59 84 A V H ><5S+ 0 0 34 -4,-1.9 3,-1.9 4,-0.3 -2,-0.2 0.959 110.4 48.3 -56.8 -51.3 -7.0 -5.3 46.7 60 85 A D H 3<5S+ 0 0 57 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.821 111.7 49.4 -59.5 -33.0 -9.0 -7.8 44.5 61 86 A A T 3<5S- 0 0 66 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.426 116.9-117.2 -86.3 2.9 -7.7 -10.7 46.6 62 87 A G T < 5S+ 0 0 59 -3,-1.9 -3,-0.2 2,-0.2 -2,-0.1 0.704 87.2 114.4 63.2 25.3 -8.6 -8.8 49.8 63 88 A Q S - 0 0 98 -2,-0.3 3,-1.7 1,-0.1 29,-0.4 -0.998 14.8-143.9-133.9 131.5 -7.4 -1.9 50.9 66 91 A L T 3 S+ 0 0 20 -2,-0.4 29,-2.8 1,-0.3 30,-0.4 0.774 103.9 54.0 -69.7 -24.6 -7.1 1.3 48.9 67 92 A G T 3 S+ 0 0 49 27,-0.2 -1,-0.3 26,-0.2 2,-0.2 0.429 79.0 119.0 -87.3 2.9 -8.3 3.3 51.8 68 93 A R < - 0 0 101 -3,-1.7 26,-1.9 1,-0.1 2,-0.4 -0.523 64.3-128.3 -72.7 132.1 -5.6 1.9 54.2 69 94 A R E -F 93 0C 101 24,-0.2 2,-0.5 -2,-0.2 24,-0.3 -0.744 17.6-155.8 -95.6 131.8 -3.3 4.7 55.5 70 95 A I E -F 92 0C 18 22,-3.4 22,-1.9 -2,-0.4 2,-0.3 -0.900 5.3-156.6-111.5 125.1 0.4 4.4 55.3 71 96 A H + 0 0 136 -2,-0.5 2,-0.3 20,-0.2 17,-0.1 -0.735 19.0 163.2 -97.6 147.7 2.7 6.4 57.6 72 97 A Y - 0 0 16 16,-0.5 2,-0.3 -2,-0.3 19,-0.1 -0.896 23.1-120.1-155.8-176.9 6.3 7.3 56.9 73 98 A S >> - 0 0 58 -2,-0.3 3,-1.9 1,-0.1 4,-0.7 -0.796 33.4 -99.0-133.0 166.7 9.2 9.6 57.9 74 99 A Q G >4 S+ 0 0 159 1,-0.3 3,-0.7 -2,-0.3 -1,-0.1 0.813 121.8 56.1 -56.1 -31.9 11.5 12.3 56.7 75 100 A N G 34 S+ 0 0 137 1,-0.2 -1,-0.3 3,-0.0 -3,-0.0 0.626 97.4 62.7 -83.7 -8.9 14.2 9.6 56.1 76 101 A D G <4 S+ 0 0 65 -3,-1.9 2,-0.2 2,-0.1 -1,-0.2 0.674 81.7 103.3 -71.9 -24.4 11.9 7.6 53.8 77 102 A L << - 0 0 44 -4,-0.7 2,-0.2 -3,-0.7 3,-0.1 -0.427 50.7-178.3 -70.4 122.9 11.8 10.5 51.4 78 103 A V - 0 0 42 -2,-0.2 30,-0.3 1,-0.2 3,-0.1 -0.649 43.4 -54.8-107.3 178.1 14.0 10.0 48.3 79 104 A E S S+ 0 0 126 -2,-0.2 28,-0.2 1,-0.2 -1,-0.2 -0.202 116.6 19.5 -50.2 139.7 14.6 12.4 45.3 80 105 A Y + 0 0 117 1,-0.1 27,-2.6 27,-0.1 -1,-0.2 0.963 68.9 145.1 58.4 73.6 11.5 13.6 43.5 81 106 A S > + 0 0 4 25,-0.2 4,-1.9 26,-0.2 5,-0.2 -0.620 10.7 163.6-136.6 66.7 8.6 13.1 45.9 82 107 A P T 4 S+ 0 0 33 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.733 79.0 28.8 -59.8 -34.1 6.4 16.0 45.1 83 108 A V T >4 S+ 0 0 39 2,-0.1 3,-1.8 -3,-0.1 4,-0.4 0.852 119.0 52.9 -96.9 -45.5 3.2 14.7 46.9 84 109 A T G >4 S+ 0 0 0 1,-0.3 3,-1.3 2,-0.2 7,-0.1 0.822 100.3 62.1 -63.5 -30.4 4.7 12.5 49.6 85 110 A E G >< S+ 0 0 120 -4,-1.9 3,-0.5 1,-0.2 -1,-0.3 0.773 100.5 56.4 -66.1 -18.4 6.9 15.2 50.9 86 111 A K G < S+ 0 0 165 -3,-1.8 -1,-0.2 1,-0.2 3,-0.2 0.593 104.9 51.5 -87.0 -6.6 3.7 17.1 51.7 87 112 A H G <> + 0 0 57 -3,-1.3 4,-2.8 -4,-0.4 -1,-0.2 0.034 59.7 125.2-126.5 29.2 2.2 14.4 53.9 88 113 A L T <4 S+ 0 0 55 -3,-0.5 -16,-0.5 1,-0.2 -1,-0.2 0.884 88.6 34.0 -49.2 -44.7 4.9 13.5 56.4 89 114 A T T 4 S+ 0 0 148 -3,-0.2 -1,-0.2 1,-0.2 -2,-0.1 0.684 123.1 46.0 -93.9 -18.9 2.5 14.2 59.3 90 115 A D T 4 S- 0 0 86 1,-0.1 -2,-0.2 -4,-0.1 -1,-0.2 0.775 89.3-150.0 -83.9 -36.1 -0.7 13.0 57.6 91 116 A G < - 0 0 0 -4,-2.8 2,-0.3 -7,-0.1 -20,-0.2 -0.275 18.0-113.4 74.0 179.1 0.3 9.8 56.0 92 117 A M E -F 70 0C 2 -22,-1.9 -22,-3.4 -4,-0.1 2,-0.1 -0.988 18.5-111.8-147.9 150.8 -1.4 8.8 52.7 93 118 A T E > -F 69 0C 16 -2,-0.3 4,-2.4 -24,-0.3 -24,-0.2 -0.363 33.6-107.8 -80.0 167.3 -3.8 6.0 51.7 94 119 A V H > S+ 0 0 0 -26,-1.9 4,-2.4 -29,-0.4 5,-0.2 0.940 122.7 50.7 -61.6 -45.9 -2.8 3.2 49.3 95 120 A R H > S+ 0 0 115 -29,-2.8 4,-2.6 1,-0.2 -1,-0.3 0.910 109.5 49.7 -54.7 -47.2 -5.0 4.8 46.7 96 121 A E H > S+ 0 0 91 -30,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.851 109.5 53.3 -62.4 -36.7 -3.4 8.2 47.2 97 122 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.924 109.5 46.8 -66.5 -39.5 0.0 6.6 46.9 98 123 A a H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.4 0.911 111.8 50.9 -70.6 -38.2 -0.8 5.0 43.6 99 124 A S H X>S+ 0 0 44 -4,-2.6 4,-2.7 -5,-0.2 5,-0.6 0.931 113.1 46.1 -58.4 -45.5 -2.2 8.2 42.3 100 125 A A H X5S+ 0 0 3 -4,-2.4 6,-2.4 3,-0.2 4,-1.2 0.888 114.3 48.4 -62.4 -44.3 1.0 10.0 43.3 101 126 A A H X5S+ 0 0 0 -4,-2.7 4,-0.9 4,-0.3 -2,-0.2 0.938 123.1 30.3 -62.0 -53.4 3.2 7.3 41.8 102 127 A I H <5S+ 0 0 0 -4,-2.8 108,-0.2 -5,-0.2 -2,-0.2 0.929 126.8 37.5 -79.3 -47.3 1.4 7.1 38.4 103 128 A T H <5S+ 0 0 7 -4,-2.7 87,-2.9 -5,-0.4 88,-0.4 0.855 135.0 20.2 -78.8 -29.3 0.1 10.7 37.9 104 129 A M H < - 0 0 0 -6,-2.4 4,-1.7 1,-0.2 -25,-0.2 -0.441 13.2-162.8 -61.4 112.8 6.4 10.3 43.0 107 132 A N H > S+ 0 0 11 -27,-2.6 4,-2.0 -2,-0.4 34,-0.2 0.885 86.3 50.2 -69.2 -43.0 9.4 8.1 43.9 108 133 A T H > S+ 0 0 0 -30,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.913 108.5 55.1 -62.7 -40.3 8.8 7.8 47.7 109 134 A A H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.929 107.1 49.7 -55.9 -48.2 5.2 6.8 47.0 110 135 A A H X S+ 0 0 0 -4,-1.7 4,-2.6 1,-0.2 -1,-0.2 0.865 110.5 50.5 -59.1 -43.2 6.5 4.0 44.7 111 136 A N H X S+ 0 0 22 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.861 109.9 49.3 -57.4 -44.2 8.9 2.8 47.4 112 137 A L H X S+ 0 0 20 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.923 114.1 46.3 -64.2 -43.7 6.1 2.8 50.1 113 138 A L H X S+ 0 0 0 -4,-2.6 4,-1.2 2,-0.2 6,-0.2 0.859 106.7 57.7 -66.5 -41.3 3.9 0.8 47.7 114 139 A L H X>S+ 0 0 0 -4,-2.6 5,-3.5 -5,-0.2 4,-0.6 0.931 105.8 52.3 -53.6 -37.8 6.8 -1.6 46.8 115 140 A T H ><5S+ 0 0 96 -4,-1.9 3,-1.5 1,-0.2 -2,-0.2 0.942 103.7 55.5 -62.4 -48.4 6.9 -2.3 50.5 116 141 A T H 3<5S+ 0 0 22 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.757 112.4 42.5 -53.0 -33.6 3.2 -3.2 50.8 117 142 A I H 3<5S- 0 0 15 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.456 126.3 -90.9 -96.7 -4.0 3.5 -5.8 48.0 118 143 A G T >< - 0 0 2 -5,-3.5 4,-1.8 -6,-0.2 3,-0.9 -0.133 69.3 -38.7 79.0-177.8 9.3 -5.4 47.2 120 145 A P H 3> S+ 0 0 8 0, 0.0 4,-2.7 0, 0.0 17,-0.4 0.842 132.5 59.6 -56.7 -33.8 10.9 -5.9 43.6 121 146 A K H 3> S+ 0 0 176 -3,-0.3 4,-2.1 1,-0.2 -2,-0.2 0.908 108.5 44.4 -64.8 -36.0 11.2 -9.6 44.1 122 147 A E H <>S+ 0 0 0 -4,-2.2 5,-2.5 2,-0.2 3,-1.3 0.941 111.6 50.6 -66.5 -52.4 4.7 -10.4 36.4 128 153 A H H ><5S+ 0 0 104 -4,-2.9 3,-1.7 1,-0.3 -2,-0.2 0.923 107.9 55.3 -47.6 -48.3 6.1 -13.9 35.8 129 154 A N H 3<5S+ 0 0 143 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.644 105.9 50.7 -64.3 -22.0 2.8 -15.3 37.1 130 155 A M T <<5S- 0 0 24 -3,-1.3 -1,-0.3 -4,-0.7 -2,-0.2 0.269 131.0 -91.9-105.1 14.3 0.8 -13.3 34.5 131 156 A G T < 5S+ 0 0 57 -3,-1.7 2,-1.0 -4,-0.3 -3,-0.2 0.441 87.6 127.1 105.8 5.0 3.0 -14.6 31.7 132 157 A D < + 0 0 9 -5,-2.5 -1,-0.2 -6,-0.2 -2,-0.2 -0.794 23.0 167.4 -91.1 99.8 5.6 -11.9 31.5 133 158 A H + 0 0 123 -2,-1.0 -1,-0.1 1,-0.1 -5,-0.1 0.257 69.5 49.4 -95.3 10.4 8.9 -13.9 31.8 134 159 A V S S+ 0 0 51 -7,-0.1 21,-0.2 23,-0.1 -1,-0.1 0.723 82.5 87.5-116.4 -48.2 11.2 -11.0 30.7 135 160 A T - 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