==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 17-APR-02 1LI9 . COMPND 2 MOLECULE: CLASS A BETA-LACTAMASE- TEM-34; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR X.WANG,G.MINASOV,B.K.SHOICHET . 263 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11077.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 185 70.3 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 . 3 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 93 35.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.7 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 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 94 0, 0.0 3,-2.2 0, 0.0 4,-0.8 0.000 360.0 360.0 360.0 142.1 3.0 0.8 8.9 2 27 A P H 3> + 0 0 77 0, 0.0 4,-1.6 0, 0.0 3,-0.1 0.735 360.0 73.9 -57.3 -22.5 6.6 0.8 7.8 3 28 A E H 3> S+ 0 0 92 1,-0.2 4,-1.0 2,-0.2 256,-0.1 0.833 95.7 51.8 -60.6 -27.2 6.5 4.6 7.3 4 29 A T H <> S+ 0 0 1 -3,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.834 102.5 57.4 -77.9 -29.8 6.5 4.7 11.1 5 30 A L H X S+ 0 0 40 -4,-0.8 4,-2.6 1,-0.2 5,-0.2 0.826 98.9 61.7 -66.4 -29.5 9.6 2.5 11.3 6 31 A V H X S+ 0 0 67 -4,-1.6 4,-2.4 1,-0.2 -1,-0.2 0.938 106.0 45.2 -58.9 -44.4 11.2 5.2 9.1 7 32 A K H X S+ 0 0 76 -4,-1.0 4,-2.3 2,-0.2 -2,-0.2 0.830 109.6 54.7 -68.6 -32.5 10.7 7.6 12.0 8 33 A V H X S+ 0 0 0 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.933 111.6 44.6 -66.7 -43.0 11.9 5.1 14.5 9 34 A K H X S+ 0 0 103 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.896 110.0 55.1 -67.3 -38.8 15.1 4.7 12.5 10 35 A D H X S+ 0 0 64 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.913 106.7 52.4 -57.0 -42.8 15.3 8.5 12.1 11 36 A A H X S+ 0 0 1 -4,-2.3 4,-2.9 1,-0.2 5,-0.3 0.915 107.4 50.7 -60.9 -43.8 15.1 8.7 15.9 12 37 A E H X>S+ 0 0 29 -4,-2.0 4,-1.8 1,-0.2 5,-1.0 0.924 112.0 48.3 -60.0 -41.8 18.0 6.3 16.2 13 38 A D H <5S+ 0 0 93 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.928 115.9 43.0 -62.3 -46.7 20.0 8.4 13.8 14 39 A Q H <5S+ 0 0 116 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.858 121.7 38.5 -68.5 -37.3 19.2 11.7 15.6 15 40 A L H <5S- 0 0 11 -4,-2.9 227,-0.6 2,-0.2 228,-0.4 0.633 94.5-134.7 -90.7 -14.5 19.8 10.3 19.1 16 41 A G T <5S+ 0 0 64 -4,-1.8 2,-0.3 -5,-0.3 -3,-0.2 0.930 74.0 94.1 59.5 44.0 22.8 8.1 18.4 17 42 A A S -A 232 0A 39 5,-2.8 4,-2.4 -2,-0.4 207,-0.3 -0.674 21.5-151.1 -76.0 123.3 -3.9 -3.9 18.6 26 51 A L T 4 S+ 0 0 14 205,-2.3 206,-0.2 -2,-0.5 -1,-0.2 0.874 90.0 48.2 -65.0 -37.5 -5.7 -3.5 21.9 27 52 A N T 4 S+ 0 0 139 204,-0.6 -1,-0.2 1,-0.1 205,-0.1 0.977 126.8 20.5 -66.6 -57.7 -8.5 -5.9 20.9 28 53 A S T 4 S- 0 0 69 2,-0.1 -2,-0.2 1,-0.0 -1,-0.1 0.680 91.3-128.4 -89.4 -22.2 -6.6 -8.8 19.5 29 54 A G < + 0 0 19 -4,-2.4 2,-0.2 1,-0.3 -3,-0.1 0.521 55.3 150.7 83.7 4.6 -3.2 -8.4 21.0 30 55 A K - 0 0 130 -5,-0.1 -5,-2.8 1,-0.1 2,-0.6 -0.516 50.7-123.1 -73.3 136.1 -1.6 -8.6 17.6 31 56 A I E -B 24 0A 63 -7,-0.2 -7,-0.2 -2,-0.2 3,-0.1 -0.722 27.2-175.1 -80.3 118.7 1.7 -6.7 17.1 32 57 A L E - 0 0 55 -9,-2.7 2,-0.3 -2,-0.6 -8,-0.2 0.803 66.8 -5.0 -84.2 -33.4 1.1 -4.4 14.2 33 58 A E E +B 23 0A 43 -10,-1.3 -10,-2.1 -29,-0.0 -1,-0.3 -0.974 67.7 178.4-159.9 148.7 4.6 -3.0 14.0 34 59 A S E -B 22 0A 38 -2,-0.3 2,-0.3 -12,-0.2 -12,-0.2 -0.995 18.5-168.0-155.9 157.9 7.9 -3.3 15.9 35 60 A F E S-B 21 0A 50 -14,-2.0 -14,-2.6 -2,-0.3 -2,-0.0 -0.943 88.0 -9.1-148.1 122.2 11.5 -2.3 16.2 36 61 A R S > S+ 0 0 75 -2,-0.3 3,-1.6 -16,-0.2 123,-0.1 0.898 79.2 169.8 52.7 46.4 13.9 -4.1 18.6 37 62 A P T 3 S+ 0 0 40 0, 0.0 122,-2.5 0, 0.0 123,-0.5 0.793 72.3 35.9 -57.0 -33.8 10.8 -5.9 20.1 38 63 A E T 3 S+ 0 0 148 120,-0.2 2,-0.3 119,-0.1 -2,-0.1 -0.029 91.3 104.9-114.4 28.3 12.8 -8.3 22.2 39 64 A E S < S- 0 0 65 -3,-1.6 2,-0.3 1,-0.0 120,-0.1 -0.742 72.8-110.3 -99.0 158.5 15.8 -6.2 23.2 40 65 A R + 0 0 62 -2,-0.3 117,-0.2 117,-0.2 110,-0.1 -0.685 35.5 174.5 -94.6 144.6 15.9 -4.9 26.8 41 66 A F E -E 156 0B 1 115,-2.2 115,-2.1 -2,-0.3 2,-0.1 -0.987 41.0 -96.2-142.4 147.0 15.5 -1.3 27.9 42 67 A P E -E 155 0B 15 0, 0.0 113,-0.3 0, 0.0 196,-0.2 -0.444 27.1-149.2 -62.7 133.7 15.3 0.3 31.4 43 68 A M > + 0 0 1 111,-2.3 3,-1.8 -2,-0.1 112,-0.1 0.820 28.6 175.7 -72.8 -26.9 11.6 0.7 32.3 44 69 A V G > - 0 0 1 110,-0.5 3,-2.1 100,-0.4 4,-0.2 -0.186 68.8 -14.4 43.9-145.8 12.4 3.8 34.4 45 70 A S G > S+ 0 0 7 1,-0.3 3,-1.9 167,-0.2 4,-0.3 0.611 120.6 83.4 -63.4 -9.8 9.1 5.3 35.7 46 71 A T G X> S+ 0 0 0 -3,-1.8 3,-1.4 1,-0.3 4,-0.7 0.768 76.9 73.9 -61.9 -19.5 6.9 3.3 33.3 47 72 A F H <> S+ 0 0 0 -3,-2.1 4,-2.3 1,-0.3 3,-0.3 0.747 76.7 78.4 -64.8 -19.7 7.2 0.5 35.9 48 73 A K H <> S+ 0 0 0 -3,-1.9 4,-2.3 1,-0.2 -1,-0.3 0.791 87.8 55.5 -61.8 -27.1 4.9 2.5 38.2 49 74 A V H <> S+ 0 0 0 -3,-1.4 4,-1.7 -4,-0.3 -1,-0.2 0.909 109.3 46.6 -69.8 -41.4 1.9 1.3 36.2 50 75 A L H X S+ 0 0 0 -4,-0.7 4,-2.3 -3,-0.3 -2,-0.2 0.900 110.5 54.9 -64.7 -39.2 2.9 -2.3 36.8 51 76 A L H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.942 110.1 43.8 -57.8 -51.5 3.4 -1.5 40.4 52 77 A a H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.782 108.5 59.2 -70.2 -24.0 -0.1 -0.1 40.8 53 78 A G H X S+ 0 0 0 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.930 107.3 46.7 -66.3 -42.9 -1.5 -3.1 38.9 54 79 A A H X S+ 0 0 5 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.884 111.7 51.7 -65.0 -38.1 0.1 -5.4 41.5 55 80 A V H X S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.952 110.5 47.6 -62.5 -46.6 -1.4 -3.1 44.2 56 81 A L H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.869 106.9 57.5 -63.6 -34.9 -4.9 -3.4 42.6 57 82 A S H X S+ 0 0 30 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.919 107.2 47.9 -60.3 -42.8 -4.5 -7.1 42.3 58 83 A R H <>S+ 0 0 54 -4,-1.9 5,-2.8 2,-0.2 6,-1.0 0.848 110.1 52.2 -65.7 -35.7 -4.0 -7.3 46.1 59 84 A V H ><5S+ 0 0 35 -4,-1.9 3,-1.5 4,-0.2 -2,-0.2 0.933 109.0 50.5 -65.1 -44.6 -7.1 -5.0 46.6 60 85 A D H 3<5S+ 0 0 56 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.855 110.6 50.1 -60.0 -35.5 -9.1 -7.4 44.4 61 86 A A T 3<5S- 0 0 66 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.402 117.1-112.6 -84.8 1.0 -7.9 -10.3 46.5 62 87 A G T < 5S+ 0 0 58 -3,-1.5 -3,-0.2 -4,-0.2 -2,-0.1 0.627 90.0 112.1 77.6 14.2 -8.8 -8.7 49.8 63 88 A Q S - 0 0 98 -2,-0.3 3,-1.7 1,-0.1 29,-0.4 -0.997 13.3-143.1-129.5 131.0 -7.5 -1.6 50.8 66 91 A L T 3 S+ 0 0 23 -2,-0.4 29,-2.8 1,-0.3 30,-0.4 0.805 103.3 52.7 -59.8 -30.5 -7.3 1.5 48.7 67 92 A G T 3 S+ 0 0 46 27,-0.2 -1,-0.3 26,-0.2 2,-0.2 0.416 79.2 122.1 -87.0 3.0 -8.4 3.6 51.6 68 93 A R < - 0 0 96 -3,-1.7 26,-1.7 1,-0.1 2,-0.4 -0.476 60.8-130.3 -70.0 132.0 -5.7 2.3 54.0 69 94 A R E -F 93 0C 117 24,-0.2 2,-0.5 -2,-0.2 24,-0.3 -0.669 17.8-161.3 -88.4 132.1 -3.5 5.1 55.3 70 95 A I E -F 92 0C 20 22,-3.1 22,-2.3 -2,-0.4 2,-0.3 -0.939 4.8-156.1-112.8 131.3 0.2 4.8 55.2 71 96 A H + 0 0 123 -2,-0.5 2,-0.3 20,-0.2 17,-0.1 -0.790 20.0 163.1-105.1 150.2 2.4 6.9 57.4 72 97 A Y - 0 0 18 16,-0.5 2,-0.2 -2,-0.3 19,-0.1 -0.909 17.7-142.6-152.7 177.8 6.0 7.7 56.5 73 98 A S >> - 0 0 45 -2,-0.3 3,-1.6 1,-0.0 4,-0.8 -0.759 42.5 -79.5-139.8-173.4 8.8 10.1 57.4 74 99 A Q G >4 S+ 0 0 137 1,-0.3 3,-0.7 -2,-0.2 -1,-0.0 0.834 121.7 67.8 -58.1 -31.0 11.7 12.2 56.3 75 100 A N G 34 S+ 0 0 157 1,-0.2 -1,-0.3 3,-0.0 -3,-0.0 0.787 102.9 46.0 -59.6 -29.2 13.7 8.9 56.4 76 101 A D G <4 S+ 0 0 67 -3,-1.6 2,-0.2 2,-0.0 -1,-0.2 0.636 85.4 108.0 -90.0 -18.7 11.6 7.7 53.4 77 102 A L << + 0 0 42 -4,-0.8 2,-0.2 -3,-0.7 3,-0.1 -0.448 43.4 179.5 -69.3 127.6 11.7 10.8 51.2 78 103 A V - 0 0 38 -2,-0.2 30,-0.3 1,-0.1 29,-0.1 -0.691 44.0 -59.0-116.7 174.3 13.8 10.4 48.0 79 104 A E S S+ 0 0 166 -2,-0.2 28,-0.2 1,-0.1 -1,-0.1 -0.255 113.6 19.5 -63.8 141.9 14.3 13.0 45.3 80 105 A Y + 0 0 103 1,-0.1 27,-2.2 27,-0.1 28,-0.2 0.998 66.9 149.4 62.5 82.5 11.3 14.4 43.4 81 106 A S > + 0 0 2 25,-0.2 4,-2.1 26,-0.2 5,-0.2 -0.557 10.5 168.4-138.3 66.3 8.3 13.6 45.6 82 107 A P T 4 S+ 0 0 26 0, 0.0 4,-0.2 0, 0.0 -1,-0.1 0.806 79.6 29.6 -53.0 -37.0 6.0 16.5 44.8 83 108 A V T >4 S+ 0 0 33 2,-0.1 3,-1.6 17,-0.1 4,-0.5 0.904 118.0 51.0 -92.9 -49.0 3.0 15.0 46.6 84 109 A T G >4 S+ 0 0 0 1,-0.3 3,-1.0 2,-0.2 7,-0.1 0.806 101.5 63.9 -61.6 -27.4 4.5 12.9 49.4 85 110 A E G 3< S+ 0 0 111 -4,-2.1 3,-0.4 1,-0.2 -1,-0.3 0.749 102.7 51.0 -67.9 -20.7 6.6 15.8 50.6 86 111 A K G < S+ 0 0 156 -3,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.530 109.6 48.7 -91.6 -8.8 3.4 17.7 51.4 87 112 A H <> + 0 0 57 -3,-1.0 4,-3.0 -4,-0.5 3,-0.4 0.096 64.6 123.3-121.4 25.7 1.8 14.9 53.4 88 113 A L T 4 S+ 0 0 48 -3,-0.4 -16,-0.5 1,-0.2 -1,-0.1 0.866 88.1 33.5 -52.7 -40.6 4.5 13.9 55.8 89 114 A T T 4 S+ 0 0 129 -3,-0.2 -1,-0.2 1,-0.1 -2,-0.1 0.595 121.6 47.0 -96.3 -7.7 2.3 14.5 58.8 90 115 A D T 4 S- 0 0 89 -3,-0.4 -2,-0.2 1,-0.1 -1,-0.1 0.701 94.5-147.0 -98.1 -24.7 -1.0 13.5 57.2 91 116 A G < - 0 0 1 -4,-3.0 2,-0.3 -7,-0.1 -20,-0.2 -0.158 16.3-108.9 77.6 176.8 0.1 10.2 55.7 92 117 A M E -F 70 0C 3 -22,-2.3 -22,-3.1 -4,-0.1 2,-0.1 -0.994 18.9-117.6-144.0 148.8 -1.5 9.1 52.4 93 118 A T E > -F 69 0C 13 -2,-0.3 4,-2.4 -24,-0.3 -24,-0.2 -0.431 32.6-108.2 -82.1 163.6 -3.9 6.4 51.4 94 119 A V H > S+ 0 0 0 -26,-1.7 4,-2.4 -29,-0.4 5,-0.2 0.919 122.7 50.9 -54.3 -45.7 -2.9 3.6 49.0 95 120 A R H > S+ 0 0 110 -29,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.912 110.0 49.2 -59.1 -45.4 -5.2 5.2 46.4 96 121 A E H > S+ 0 0 84 -30,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.850 110.1 52.3 -64.8 -34.3 -3.5 8.6 46.9 97 122 A L H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.921 109.2 47.5 -69.9 -43.4 -0.1 7.0 46.6 98 123 A a H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.4 0.912 112.0 51.3 -63.6 -39.8 -0.9 5.2 43.3 99 124 A S H X>S+ 0 0 45 -4,-2.3 4,-2.3 -5,-0.2 5,-0.7 0.936 113.7 44.8 -61.0 -43.8 -2.4 8.5 42.0 100 125 A A H X5S+ 0 0 3 -4,-2.2 6,-2.4 3,-0.2 4,-1.0 0.894 114.0 48.6 -66.1 -42.8 0.8 10.3 43.0 101 126 A A H X5S+ 0 0 0 -4,-2.9 4,-0.5 4,-0.3 -2,-0.2 0.943 122.7 31.4 -64.4 -48.1 3.1 7.7 41.6 102 127 A I H <5S+ 0 0 0 -4,-2.8 108,-0.2 -5,-0.2 -2,-0.2 0.951 127.7 34.7 -77.8 -51.2 1.3 7.4 38.2 103 128 A T H <5S+ 0 0 7 -4,-2.3 87,-2.2 -5,-0.4 88,-0.4 0.822 136.7 21.9 -77.8 -28.3 0.0 10.9 37.6 104 129 A M H < - 0 0 0 -6,-2.4 4,-1.5 1,-0.2 -25,-0.2 -0.446 14.5-157.1 -63.4 120.7 6.2 10.8 42.8 107 132 A N H > S+ 0 0 19 -27,-2.2 4,-2.0 -2,-0.3 34,-0.3 0.858 88.1 50.1 -74.4 -36.5 9.2 8.6 43.7 108 133 A T H > S+ 0 0 0 -30,-0.3 4,-2.9 -28,-0.2 5,-0.2 0.916 107.8 56.7 -69.4 -38.3 8.6 8.2 47.4 109 134 A A H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.911 106.8 49.8 -56.2 -43.9 5.1 7.2 46.6 110 135 A A H X S+ 0 0 0 -4,-1.5 4,-2.6 1,-0.2 -1,-0.2 0.927 111.0 48.1 -61.0 -45.4 6.5 4.4 44.4 111 136 A N H X S+ 0 0 21 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.894 111.1 50.8 -63.5 -39.0 8.8 3.2 47.2 112 137 A L H X S+ 0 0 17 -4,-2.9 4,-1.6 1,-0.2 -1,-0.2 0.937 112.8 45.9 -64.1 -44.0 6.0 3.2 49.8 113 138 A L H X S+ 0 0 0 -4,-2.4 4,-1.4 1,-0.2 -2,-0.2 0.874 107.8 57.7 -65.0 -39.5 3.8 1.2 47.4 114 139 A L H X>S+ 0 0 0 -4,-2.6 5,-3.3 1,-0.2 4,-0.8 0.914 105.7 50.6 -57.5 -42.8 6.7 -1.2 46.6 115 140 A T H ><5S+ 0 0 97 -4,-2.1 3,-0.9 1,-0.2 -1,-0.2 0.907 105.1 57.1 -62.6 -38.7 7.0 -2.0 50.4 116 141 A T H 3<5S+ 0 0 22 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.825 111.7 41.1 -62.8 -29.7 3.3 -2.7 50.6 117 142 A I H 3<5S- 0 0 13 -4,-1.4 -1,-0.2 -3,-0.4 -2,-0.2 0.480 126.7 -90.1 -99.2 -1.1 3.4 -5.4 47.9 118 143 A G T >< - 0 0 3 -5,-3.3 4,-1.8 -6,-0.2 3,-0.8 -0.067 68.7 -37.9 80.6-179.9 9.2 -5.1 47.0 120 145 A P H 3> S+ 0 0 9 0, 0.0 4,-2.5 0, 0.0 17,-0.5 0.823 132.5 60.2 -49.3 -39.9 10.8 -5.6 43.5 121 146 A K H 3> S+ 0 0 177 -3,-0.3 4,-2.1 1,-0.2 -2,-0.2 0.923 108.8 42.8 -57.8 -43.5 11.0 -9.4 44.1 122 147 A E H <>S+ 0 0 0 -4,-2.2 5,-2.5 2,-0.2 3,-0.5 0.941 112.1 47.8 -65.3 -46.6 4.6 -10.2 36.4 128 153 A H H ><5S+ 0 0 99 -4,-2.8 3,-1.7 1,-0.2 -2,-0.2 0.930 109.4 55.3 -60.5 -42.8 5.9 -13.7 35.8 129 154 A N H 3<5S+ 0 0 141 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.773 106.6 50.0 -61.3 -30.4 2.7 -15.1 37.2 130 155 A M T <<5S- 0 0 22 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.383 131.2 -88.8 -92.5 7.8 0.6 -13.1 34.7 131 156 A G T < 5S+ 0 0 40 -3,-1.7 2,-0.9 -4,-0.4 -3,-0.2 0.512 89.9 121.4 105.5 4.0 2.7 -14.3 31.7 132 157 A D < + 0 0 5 -5,-2.5 -1,-0.2 -6,-0.2 -2,-0.2 -0.863 29.3 173.2-103.0 101.2 5.5 -11.8 31.5 133 158 A H S S+ 0 0 125 -2,-0.9 -1,-0.1 1,-0.1 -5,-0.1 0.385 72.2 42.4 -89.0 2.1 8.7 -13.8 31.8 134 159 A V S S+ 0 0 37 -7,-0.1 21,-0.2 23,-0.1 2,-0.2 0.723 81.9 95.2-118.7 -31.7 11.1 -11.1 31.0 135 160 A T + 0 0 3 22,-0.1 2,-0.4 -8,-0.1 21,-0.2 -0.437 53.5 176.9 -66.9 132.9 10.1 -7.8 32.8 136 161 A R - 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