==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/INHIBITOR 20-AUG-01 1JTD . COMPND 2 MOLECULE: TEM-1 BETA-LACTAMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR D.C.LIM,H.U.PARK,L.DE CASTRO,S.G.KANG,H.S.LEE,S.JENSEN, . 535 2 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19180.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 350 65.4 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 . 129 24.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 13 2.4 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 . 23 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 88 16.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.1 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 0 1 0 2 1 2 1 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 3 7 5 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 7 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 27 A P > 0 0 129 0, 0.0 4,-1.1 0, 0.0 31,-0.0 0.000 360.0 360.0 360.0 16.6 24.5 -3.1 14.6 2 28 A E H > + 0 0 78 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.694 360.0 58.6 -80.7 -21.1 25.3 0.0 16.7 3 29 A T H > S+ 0 0 11 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.874 102.3 54.1 -72.9 -37.5 21.7 1.3 16.2 4 30 A L H > S+ 0 0 34 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.915 106.4 52.6 -60.3 -44.0 20.6 -2.0 17.9 5 31 A V H X S+ 0 0 88 -4,-1.1 4,-1.9 1,-0.2 -2,-0.2 0.945 110.8 46.6 -56.7 -50.4 22.9 -1.1 20.8 6 32 A K H X S+ 0 0 15 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.869 109.8 53.6 -60.7 -40.2 21.3 2.4 21.1 7 33 A V H X S+ 0 0 0 -4,-2.6 4,-1.6 2,-0.2 3,-0.3 0.960 111.0 45.3 -61.7 -48.7 17.8 1.0 20.9 8 34 A K H X S+ 0 0 100 -4,-2.5 4,-1.8 1,-0.3 -1,-0.2 0.841 111.4 54.0 -62.2 -33.7 18.4 -1.4 23.8 9 35 A D H X S+ 0 0 52 -4,-1.9 4,-3.0 -5,-0.2 -1,-0.3 0.820 102.0 59.0 -69.7 -30.3 20.1 1.5 25.6 10 36 A A H X S+ 0 0 1 -4,-1.8 4,-2.8 -3,-0.3 -2,-0.2 0.889 105.2 48.7 -65.0 -38.6 16.8 3.5 25.1 11 37 A E H X>S+ 0 0 29 -4,-1.6 4,-2.0 2,-0.2 5,-1.0 0.925 111.7 50.4 -66.1 -41.1 14.9 0.8 27.0 12 38 A D H <5S+ 0 0 120 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.945 115.1 42.3 -59.4 -49.1 17.6 1.0 29.7 13 39 A Q H <5S+ 0 0 118 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.877 122.5 37.4 -66.5 -40.5 17.3 4.8 29.9 14 40 A L H <5S- 0 0 15 -4,-2.8 227,-0.7 -5,-0.2 228,-0.5 0.580 95.8-132.3 -89.5 -12.8 13.4 4.9 29.7 15 41 A G T <5S+ 0 0 63 -4,-2.0 2,-0.3 1,-0.2 -3,-0.2 0.946 73.1 95.5 59.6 45.7 12.6 1.9 31.8 16 42 A A S -A 231 0A 42 5,-2.5 4,-2.1 -2,-0.3 5,-0.3 -0.785 24.6-145.0 -85.5 119.3 15.1 -0.8 2.8 25 51 A L T 4 S+ 0 0 15 205,-1.8 -1,-0.2 -2,-0.7 206,-0.2 0.848 91.1 42.7 -54.6 -39.6 12.6 1.2 0.8 26 52 A N T 4 S+ 0 0 138 204,-0.5 -1,-0.1 1,-0.1 205,-0.1 0.994 126.0 24.8 -72.8 -67.9 13.4 -0.5 -2.5 27 53 A S T 4 S- 0 0 72 2,-0.1 -2,-0.2 1,-0.1 -1,-0.1 0.767 95.0-132.7 -70.3 -26.5 13.9 -4.2 -1.8 28 54 A G < + 0 0 25 -4,-2.1 2,-0.3 1,-0.3 -3,-0.2 0.789 52.2 156.4 75.6 27.2 11.7 -4.0 1.2 29 55 A K - 0 0 136 -5,-0.3 -5,-2.5 1,-0.0 2,-0.6 -0.671 49.3-114.1 -90.0 141.4 14.4 -6.0 3.1 30 56 A I E +B 23 0A 88 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.635 33.4 176.9 -76.5 119.1 14.7 -5.8 6.9 31 57 A L E - 0 0 70 -9,-2.9 2,-0.3 -2,-0.6 -8,-0.2 0.686 66.4 -10.0 -94.9 -23.4 18.0 -4.1 7.7 32 58 A E E +B 22 0A 38 -10,-1.1 -10,-2.6 -29,-0.0 -1,-0.4 -0.931 66.5 174.2-171.9 149.3 17.7 -4.1 11.5 33 59 A S E -B 21 0A 40 -2,-0.3 2,-0.3 -12,-0.2 -12,-0.2 -0.996 17.5-168.7-162.5 161.2 15.0 -4.8 14.1 34 60 A F E S-B 20 0A 39 -14,-2.7 -14,-3.2 -2,-0.3 -2,-0.0 -0.892 85.7 -10.6-157.0 122.6 14.1 -5.1 17.8 35 61 A R S > S+ 0 0 72 -2,-0.3 3,-1.6 -16,-0.2 123,-0.1 0.875 80.3 166.0 52.3 39.6 10.8 -6.5 19.2 36 62 A P T 3 + 0 0 33 0, 0.0 122,-2.1 0, 0.0 123,-0.4 0.786 69.6 41.3 -56.4 -29.6 9.6 -6.3 15.5 37 63 A E T 3 S+ 0 0 144 119,-0.2 2,-0.3 120,-0.2 -2,-0.1 0.249 89.3 104.5-106.7 14.4 6.5 -8.5 16.2 38 64 A E S < S- 0 0 68 -3,-1.6 2,-0.3 1,-0.1 120,-0.1 -0.679 73.0-110.8 -91.6 152.3 5.4 -7.1 19.6 39 65 A R + 0 0 77 -2,-0.3 117,-0.2 117,-0.2 110,-0.1 -0.583 35.7 173.8 -87.6 144.3 2.3 -4.9 19.7 40 66 A F E -E 155 0B 0 115,-2.3 115,-1.8 -2,-0.3 2,-0.1 -0.997 40.3 -96.6-145.0 144.7 2.3 -1.1 20.4 41 67 A P E -E 154 0B 12 0, 0.0 113,-0.3 0, 0.0 196,-0.2 -0.418 27.0-149.8 -63.7 134.2 -0.4 1.6 20.4 42 68 A M > + 0 0 2 111,-2.2 3,-1.9 93,-0.2 112,-0.1 0.836 25.1 178.9 -71.8 -35.6 -0.2 3.5 17.1 43 69 A M G > S- 0 0 1 110,-0.5 3,-1.7 100,-0.4 4,-0.2 -0.345 72.2 -15.9 59.6-147.3 -1.5 6.7 18.6 44 70 A S G > S+ 0 0 6 167,-0.3 3,-2.0 1,-0.3 4,-0.3 0.616 120.7 86.8 -64.2 -8.7 -1.6 9.3 15.8 45 71 A T G X> S+ 0 0 0 -3,-1.9 3,-1.1 1,-0.3 4,-0.5 0.770 77.6 69.5 -63.3 -17.7 0.6 7.2 13.5 46 72 A F H X> S+ 0 0 0 -3,-1.7 4,-2.6 1,-0.2 3,-0.8 0.760 79.2 78.2 -68.6 -21.8 -2.6 5.6 12.3 47 73 A K H <> S+ 0 0 0 -3,-2.0 4,-2.4 1,-0.3 -1,-0.2 0.778 87.5 56.9 -60.1 -26.0 -3.6 8.8 10.6 48 74 A V H <> S+ 0 0 0 -3,-1.1 4,-1.3 -4,-0.3 -1,-0.3 0.841 109.0 45.8 -73.0 -33.0 -1.2 8.0 7.7 49 75 A L H S+ 0 0 62 -4,-1.5 5,-3.2 2,-0.2 6,-0.8 0.867 110.4 51.4 -70.2 -36.7 -11.2 6.0 -2.4 58 84 A V H ><5S+ 0 0 33 -4,-2.0 3,-1.2 4,-0.2 -2,-0.2 0.939 109.7 51.1 -64.5 -45.4 -10.3 9.2 -4.3 59 85 A D H 3<5S+ 0 0 54 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.885 111.0 47.1 -57.2 -43.1 -8.4 7.0 -6.8 60 86 A A T 3<5S- 0 0 70 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.499 118.9-114.1 -79.8 -1.9 -11.4 4.8 -7.3 61 87 A G T < 5S+ 0 0 54 -3,-1.2 -3,-0.2 -4,-0.4 -2,-0.1 0.697 86.7 115.4 79.0 20.9 -13.6 7.9 -7.7 62 88 A Q S - 0 0 105 -2,-0.3 3,-1.1 1,-0.1 29,-0.4 -0.989 10.4-146.3-125.7 132.0 -13.0 14.0 -3.8 65 91 A L T 3 S+ 0 0 24 -2,-0.4 29,-2.9 1,-0.3 30,-0.3 0.772 104.4 50.0 -66.0 -23.3 -10.0 15.7 -2.2 66 92 A G T 3 S+ 0 0 45 27,-0.2 -1,-0.3 26,-0.2 2,-0.1 0.496 78.8 123.2 -93.2 -5.1 -11.8 19.0 -2.6 67 93 A R < - 0 0 96 -3,-1.1 26,-1.6 25,-0.1 2,-0.4 -0.383 59.3-133.5 -61.2 128.6 -15.1 17.9 -1.1 68 94 A R E -F 92 0C 116 24,-0.2 2,-0.5 -2,-0.1 24,-0.3 -0.712 16.4-160.1 -90.8 130.3 -15.9 20.3 1.7 69 95 A I E -F 91 0C 25 22,-3.1 22,-2.3 -2,-0.4 2,-0.4 -0.940 0.5-161.7-113.7 124.3 -17.1 18.9 5.1 70 96 A H + 0 0 123 -2,-0.5 2,-0.2 20,-0.2 17,-0.1 -0.843 17.5 174.4-100.0 139.0 -19.0 21.0 7.6 71 97 A Y - 0 0 20 -2,-0.4 2,-0.2 15,-0.3 19,-0.1 -0.772 19.1-123.2-133.7 179.7 -19.1 19.8 11.2 72 98 A S >> - 0 0 38 -2,-0.2 3,-3.1 1,-0.1 4,-0.6 -0.771 34.1 -93.8-127.2 172.3 -20.4 21.1 14.5 73 99 A Q G >4 S+ 0 0 34 1,-0.3 3,-0.9 -2,-0.2 -1,-0.1 0.802 120.3 68.0 -50.3 -31.1 -19.2 21.9 18.0 74 100 A N G 34 S+ 0 0 85 1,-0.2 -1,-0.3 359,-0.0 -3,-0.0 0.653 93.4 56.5 -66.6 -17.4 -20.4 18.4 18.8 75 101 A D G <4 S+ 0 0 68 -3,-3.1 -1,-0.2 2,-0.0 -2,-0.2 0.702 83.4 105.4 -89.3 -19.0 -17.6 16.9 16.7 76 102 A L << + 0 0 2 -3,-0.9 2,-0.3 -4,-0.6 -3,-0.0 -0.386 39.2 170.0 -71.5 135.2 -14.7 18.5 18.5 77 103 A V - 0 0 12 1,-0.2 30,-0.3 -2,-0.1 3,-0.1 -0.831 45.3 -65.4-130.9 168.7 -12.4 16.6 20.9 78 104 A E S S+ 0 0 31 -2,-0.3 28,-0.3 1,-0.2 -1,-0.2 -0.014 111.3 34.6 -56.3 161.3 -9.1 17.7 22.4 79 105 A Y S S+ 0 0 23 1,-0.1 27,-2.2 27,-0.1 -1,-0.2 0.901 75.9 130.7 58.4 47.0 -5.9 18.3 20.4 80 106 A S > + 0 0 1 25,-0.3 4,-2.0 26,-0.2 5,-0.2 -0.527 16.9 156.3-127.1 64.5 -7.7 19.7 17.4 81 107 A P T 4 S+ 0 0 0 0, 0.0 4,-0.2 0, 0.0 -1,-0.1 0.825 77.1 36.1 -58.2 -39.4 -5.9 23.1 16.7 82 108 A V T >4 S+ 0 0 27 2,-0.1 3,-1.5 -3,-0.1 4,-0.5 0.943 116.7 48.2 -84.3 -51.3 -6.9 23.2 13.0 83 109 A T G >4 S+ 0 0 0 1,-0.3 3,-1.5 2,-0.2 7,-0.1 0.847 103.0 62.5 -60.4 -34.6 -10.4 21.9 13.1 84 110 A E G 3< S+ 0 0 2 -4,-2.0 3,-0.4 1,-0.3 -1,-0.3 0.690 101.2 55.3 -63.3 -17.9 -11.5 24.0 16.0 85 111 A K G < S+ 0 0 32 -3,-1.5 -1,-0.3 -4,-0.2 3,-0.3 0.627 103.3 55.8 -89.6 -12.7 -10.8 27.1 13.8 86 112 A H <> + 0 0 40 -3,-1.5 4,-1.7 -4,-0.5 -15,-0.3 -0.088 59.7 121.8-114.3 36.8 -13.1 25.9 11.0 87 113 A L T 4 S+ 0 0 17 -3,-0.4 -16,-0.3 2,-0.2 -1,-0.2 0.865 86.3 36.1 -61.7 -37.8 -16.5 25.4 12.6 88 114 A T T 4 S+ 0 0 91 -3,-0.3 -1,-0.1 1,-0.1 -2,-0.1 0.945 126.6 31.9 -82.3 -54.4 -18.1 27.9 10.2 89 115 A D T 4 S- 0 0 72 -4,-0.2 -2,-0.2 1,-0.2 -1,-0.1 0.560 95.3-150.5 -83.4 -9.6 -16.3 27.4 6.9 90 116 A G < - 0 0 0 -4,-1.7 2,-0.3 -7,-0.1 -20,-0.2 -0.124 16.2 -96.1 68.1-171.4 -15.7 23.6 7.3 91 117 A M E -F 69 0C 2 -22,-2.3 -22,-3.1 -4,-0.1 2,-0.1 -0.994 23.7-117.9-147.0 148.9 -12.7 21.9 5.8 92 118 A T E > -F 68 0C 14 -2,-0.3 4,-2.6 -24,-0.3 -24,-0.2 -0.358 34.5-107.6 -80.8 166.2 -12.0 19.9 2.6 93 119 A V H > S+ 0 0 0 -26,-1.6 4,-2.4 -29,-0.4 5,-0.2 0.928 123.0 52.1 -60.7 -42.7 -11.0 16.2 2.7 94 120 A R H > S+ 0 0 107 -29,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.938 110.7 47.1 -58.2 -47.3 -7.5 17.3 1.5 95 121 A E H > S+ 0 0 78 -30,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.865 109.5 54.1 -63.5 -37.3 -7.3 19.9 4.4 96 122 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.916 110.1 46.8 -63.8 -42.4 -8.5 17.3 6.9 97 123 A a H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.3 0.911 111.0 51.8 -66.1 -40.5 -5.8 14.9 5.9 98 124 A S H X S+ 0 0 45 -4,-2.3 4,-2.8 1,-0.2 5,-0.4 0.920 113.7 44.9 -60.6 -44.2 -3.1 17.7 6.0 99 125 A A H X S+ 0 0 3 -4,-2.4 6,-1.9 2,-0.2 4,-1.5 0.894 113.6 48.6 -68.1 -40.9 -4.3 18.6 9.5 100 126 A A H X S+ 0 0 0 -4,-2.5 4,-0.7 4,-0.3 -2,-0.2 0.946 122.5 33.3 -65.3 -47.0 -4.5 15.0 10.8 101 127 A I H < S+ 0 0 0 -4,-2.8 108,-0.3 -5,-0.2 -2,-0.2 0.938 126.6 35.8 -77.7 -47.4 -1.0 14.1 9.5 102 128 A T H < S+ 0 0 8 -4,-2.8 87,-2.0 -5,-0.3 88,-0.5 0.733 134.8 21.4 -82.6 -20.1 0.9 17.4 9.9 103 129 A M H < S- 0 0 23 -4,-1.5 -3,-0.2 -5,-0.4 3,-0.2 0.289 95.7-122.5-127.3 6.3 -0.7 18.6 13.1 104 130 A S < - 0 0 6 -4,-0.7 2,-0.6 -6,-0.2 -4,-0.3 0.907 40.2-174.6 51.1 42.6 -2.1 15.4 14.6 105 131 A D > - 0 0 0 -6,-1.9 4,-1.7 1,-0.2 -25,-0.3 -0.602 13.0-160.3 -72.1 115.3 -5.5 17.0 14.7 106 132 A N H > S+ 0 0 2 -27,-2.2 4,-2.1 -2,-0.6 34,-0.3 0.912 87.2 49.7 -64.3 -45.3 -7.8 14.5 16.5 107 133 A T H > S+ 0 0 0 -30,-0.3 4,-3.1 2,-0.2 5,-0.2 0.903 107.0 55.6 -62.5 -41.1 -11.1 15.8 15.2 108 134 A A H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.936 108.5 48.8 -55.5 -47.2 -9.8 15.8 11.6 109 135 A A H X S+ 0 0 0 -4,-1.7 4,-2.5 1,-0.2 -1,-0.2 0.906 111.1 49.9 -60.4 -42.4 -9.0 12.1 12.0 110 136 A N H X S+ 0 0 20 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.921 110.8 49.6 -63.7 -41.6 -12.5 11.5 13.5 111 137 A L H X S+ 0 0 15 -4,-3.1 4,-1.4 1,-0.2 -2,-0.2 0.931 113.1 46.0 -62.7 -43.5 -14.1 13.3 10.6 112 138 A L H X S+ 0 0 0 -4,-2.6 4,-0.9 1,-0.2 -1,-0.2 0.888 107.3 58.0 -67.2 -37.7 -12.1 11.3 8.0 113 139 A L H >X>S+ 0 0 0 -4,-2.5 5,-2.4 1,-0.2 3,-1.1 0.917 104.6 53.3 -57.8 -41.0 -12.8 8.1 9.8 114 140 A T H ><5S+ 0 0 88 -4,-1.9 3,-1.1 1,-0.3 -1,-0.2 0.890 99.0 61.5 -63.1 -38.0 -16.5 8.8 9.4 115 141 A T H 3<5S+ 0 0 23 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.738 111.1 40.4 -62.5 -20.3 -16.1 9.3 5.6 116 142 A I H <<5S- 0 0 22 -3,-1.1 -1,-0.3 -4,-0.9 -2,-0.2 0.445 125.9 -95.0-106.4 -0.9 -14.9 5.7 5.4 117 143 A G T <<5S- 0 0 57 -3,-1.1 -3,-0.2 -4,-0.6 3,-0.2 0.496 70.6 -65.7 107.1 0.9 -17.4 4.2 7.8 118 144 A G S >> S+ 0 0 7 0, 0.0 4,-2.1 0, 0.0 17,-0.4 0.792 127.4 61.0 -58.1 -33.7 -12.5 2.3 12.7 120 146 A K H 3> S+ 0 0 107 1,-0.2 4,-1.9 -3,-0.2 -2,-0.1 0.865 103.5 52.4 -64.1 -34.0 -13.7 -1.2 11.6 121 147 A E H <> S+ 0 0 100 -3,-0.8 4,-2.2 2,-0.2 -1,-0.2 0.844 106.1 51.0 -71.1 -35.0 -13.5 -0.1 8.0 122 148 A L H X S+ 0 0 1 -4,-1.1 4,-2.4 2,-0.2 -1,-0.2 0.926 111.1 50.0 -67.0 -41.7 -10.0 1.2 8.3 123 149 A T H X S+ 0 0 18 -4,-2.1 4,-2.3 13,-0.3 -2,-0.2 0.898 109.0 51.8 -62.5 -35.9 -9.1 -2.2 9.8 124 150 A A H X S+ 0 0 32 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.890 107.2 53.4 -66.2 -36.9 -11.0 -3.8 6.8 125 151 A F H < S+ 0 0 35 -4,-2.2 4,-0.3 1,-0.2 -2,-0.2 0.920 109.2 48.4 -61.7 -43.4 -8.8 -1.6 4.5 126 152 A L H ><>S+ 0 0 1 -4,-2.4 5,-2.7 1,-0.2 3,-1.1 0.908 109.5 52.2 -65.2 -42.1 -5.7 -2.9 6.2 127 153 A H H ><5S+ 0 0 75 -4,-2.3 3,-1.4 1,-0.3 -1,-0.2 0.917 108.8 49.1 -59.5 -46.6 -6.8 -6.6 5.9 128 154 A N T 3<5S+ 0 0 145 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.468 107.3 57.1 -73.7 -1.7 -7.5 -6.3 2.2 129 155 A M T < 5S- 0 0 18 -3,-1.1 -1,-0.3 -4,-0.3 -2,-0.2 0.467 127.1-100.0-103.6 -8.7 -4.1 -4.8 1.7 130 156 A G T < 5S+ 0 0 39 -3,-1.4 2,-0.8 -4,-0.4 -3,-0.2 0.514 86.9 121.5 102.6 6.5 -2.5 -7.8 3.3 131 157 A D < + 0 0 8 -5,-2.7 -1,-0.2 -6,-0.2 -2,-0.2 -0.866 24.3 165.5-105.3 100.4 -1.9 -6.4 6.9 132 158 A H S S+ 0 0 130 -2,-0.8 -1,-0.1 1,-0.1 -5,-0.1 0.259 70.6 57.3 -98.5 11.8 -3.8 -8.7 9.3 133 159 A V S S+ 0 0 38 -7,-0.1 21,-0.2 23,-0.1 -1,-0.1 0.829 82.1 83.3-103.1 -55.2 -2.0 -7.4 12.4 134 160 A T + 0 0 1 -8,-0.1 2,-0.4 22,-0.1 21,-0.2 -0.279 58.4 177.3 -58.8 128.9 -2.7 -3.6 12.4 135 161 A R - 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