==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 19-JAN-12 4DE3 . COMPND 2 MOLECULE: BETA-LACTAMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR D.A.NICHOLS,Y.CHEN . 521 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21496.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 378 72.6 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 . 78 15.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 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 . 9 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 80 15.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 168 32.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.3 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 4 2 6 2 2 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 . 0 2 0 2 3 0 1 4 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 . 4 0 0 2 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 28 A A > 0 0 102 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -55.4 21.1 67.1 -2.4 2 29 A V H > + 0 0 31 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.919 360.0 49.6 -66.1 -40.7 18.9 65.5 0.4 3 30 A Q H > S+ 0 0 103 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.935 112.5 46.8 -63.2 -43.3 16.6 68.5 0.3 4 31 A Q H > S+ 0 0 140 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.889 111.6 52.4 -65.4 -40.5 16.2 68.4 -3.4 5 32 A K H X S+ 0 0 115 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.898 109.2 47.9 -61.4 -43.8 15.6 64.6 -3.2 6 33 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.895 111.4 52.1 -65.7 -37.9 12.9 65.0 -0.6 7 34 A A H X S+ 0 0 27 -4,-2.3 4,-2.5 -5,-0.2 -2,-0.2 0.905 109.4 49.2 -62.8 -39.5 11.3 67.7 -2.8 8 35 A A H X S+ 0 0 51 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.921 111.1 49.5 -63.0 -46.1 11.4 65.4 -5.8 9 36 A L H X S+ 0 0 29 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.935 111.7 49.9 -56.5 -46.5 9.8 62.6 -3.8 10 37 A E H X>S+ 0 0 17 -4,-2.6 4,-1.0 1,-0.2 5,-0.5 0.936 109.8 49.4 -61.5 -44.9 7.1 65.0 -2.6 11 38 A K H ><5S+ 0 0 178 -4,-2.5 3,-0.7 1,-0.2 -1,-0.2 0.916 112.6 46.7 -64.3 -41.0 6.3 66.2 -6.1 12 39 A S H 3<5S+ 0 0 108 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.742 108.7 57.1 -70.3 -22.4 6.0 62.7 -7.5 13 40 A S H 3<5S- 0 0 12 -4,-1.5 -1,-0.2 -3,-0.4 -2,-0.2 0.692 97.7-137.3 -80.7 -20.8 3.8 61.7 -4.5 14 41 A G T <<5S+ 0 0 56 -4,-1.0 -3,-0.1 -3,-0.7 -4,-0.1 0.342 71.5 87.0 73.5 -0.9 1.2 64.4 -5.1 15 42 A G S >> -AB 229 28A 4 5,-2.9 4,-1.5 -2,-0.4 3,-1.2 -0.912 1.4-161.8 -99.9 110.7 21.5 62.9 14.4 24 51 A T T 345S+ 0 0 29 204,-2.0 205,-0.1 -2,-0.7 -1,-0.1 0.540 79.3 80.3 -75.5 -5.5 22.6 62.6 18.0 25 52 A A T 345S- 0 0 60 203,-0.3 -1,-0.3 202,-0.2 204,-0.1 0.869 125.0 -8.2 -60.8 -36.4 26.2 62.0 16.9 26 53 A D T <45S- 0 0 97 -3,-1.2 -2,-0.2 2,-0.1 -1,-0.1 0.215 96.6-103.0-150.9 13.6 26.6 65.8 16.5 27 54 A N T <5 + 0 0 99 -4,-1.5 2,-0.2 1,-0.2 -3,-0.2 0.735 65.9 158.2 62.6 22.3 23.1 67.4 16.9 28 55 A T E < -B 23 0A 69 -5,-0.9 -5,-2.9 -6,-0.0 2,-0.3 -0.527 22.2-160.3 -70.4 144.4 22.8 67.8 13.1 29 56 A Q E -B 22 0A 99 -7,-0.2 2,-0.4 -2,-0.2 -7,-0.2 -0.937 18.2-161.5-122.4 154.0 19.3 68.2 11.7 30 57 A V E -B 21 0A 38 -9,-1.6 -9,-2.8 -2,-0.3 2,-0.4 -0.994 19.4-175.1-128.6 123.6 17.7 67.8 8.4 31 59 A L E +B 20 0A 34 -2,-0.4 2,-0.4 -11,-0.2 -11,-0.2 -0.978 15.8 178.6-120.4 134.8 14.3 69.5 8.0 32 60 A Y E S-B 19 0A 26 -13,-2.6 -13,-2.8 -2,-0.4 -2,-0.0 -0.966 91.3 -17.4-133.9 116.4 11.8 69.4 5.1 33 61 A R S > S+ 0 0 89 -2,-0.4 3,-1.5 -15,-0.2 123,-0.1 0.875 92.0 161.6 47.7 41.9 8.7 71.5 5.9 34 62 A G T 3 + 0 0 5 1,-0.3 122,-2.4 121,-0.1 123,-0.4 0.707 67.1 42.6 -65.4 -23.9 10.0 71.1 9.5 35 63 A D T 3 S+ 0 0 105 120,-0.1 2,-0.3 119,-0.1 -1,-0.3 0.213 91.2 102.0-111.8 14.4 8.0 74.0 10.8 36 64 A E S < S- 0 0 69 -3,-1.5 2,-0.3 1,-0.0 120,-0.1 -0.744 74.8-114.5 -90.7 147.0 4.7 73.2 9.1 37 65 A R - 0 0 96 -2,-0.3 117,-0.2 117,-0.2 110,-0.2 -0.584 33.8-179.4 -82.2 141.4 1.8 71.6 11.0 38 66 A F E -E 153 0B 2 115,-2.5 115,-1.8 -2,-0.3 2,-0.3 -0.978 38.5 -98.4-133.7 148.6 0.7 68.1 10.1 39 67 A P E -E 152 0B 13 0, 0.0 113,-0.3 0, 0.0 196,-0.2 -0.546 31.1-153.7 -64.9 128.2 -2.1 65.9 11.6 40 68 A M > + 0 0 0 111,-2.5 3,-1.8 -2,-0.3 112,-0.1 0.804 22.1 175.9 -70.9 -32.6 -0.3 63.5 14.0 41 69 A C G > S- 0 0 0 110,-0.5 3,-2.1 100,-0.5 -1,-0.1 -0.246 71.6 -11.8 46.0-140.0 -2.9 60.7 13.9 42 70 A S G > S+ 0 0 9 1,-0.3 3,-1.9 167,-0.3 4,-0.3 0.565 119.6 83.1 -71.7 -3.6 -1.7 57.7 16.0 43 71 A T G X S+ 0 0 0 -3,-1.8 3,-1.3 1,-0.3 4,-0.5 0.801 81.2 69.5 -63.4 -21.0 1.8 59.1 16.4 44 72 A S G <> S+ 0 0 0 -3,-2.1 4,-1.7 1,-0.2 3,-0.5 0.664 77.0 79.9 -65.0 -16.4 0.2 61.1 19.2 45 73 A K H <> S+ 0 0 1 -3,-1.9 4,-2.7 1,-0.2 -1,-0.2 0.823 84.5 62.5 -65.1 -26.3 -0.1 57.8 21.1 46 74 A V H <> S+ 0 0 3 -3,-1.3 4,-2.5 -4,-0.3 -1,-0.2 0.907 102.5 47.9 -60.2 -43.7 3.5 58.2 22.1 47 75 A M H > S+ 0 0 2 -3,-0.5 4,-2.0 -4,-0.5 -2,-0.2 0.905 113.0 48.3 -67.7 -40.1 2.9 61.4 24.0 48 76 A A H X S+ 0 0 0 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.924 113.7 45.7 -63.1 -46.0 -0.1 59.8 25.8 49 77 A A H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.909 112.7 51.6 -65.4 -39.5 1.8 56.7 26.8 50 78 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.880 106.4 54.6 -63.4 -36.4 4.8 58.8 27.8 51 79 A A H X S+ 0 0 3 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.907 108.6 47.7 -63.6 -40.4 2.5 61.0 30.0 52 80 A V H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.920 109.7 53.5 -68.1 -40.3 1.2 57.9 31.8 53 81 A L H X S+ 0 0 1 -4,-2.5 4,-0.7 1,-0.2 -2,-0.2 0.928 107.1 52.2 -57.6 -41.6 4.8 56.7 32.3 54 82 A K H >< S+ 0 0 67 -4,-2.4 3,-1.6 1,-0.2 4,-0.4 0.944 108.2 50.6 -60.2 -42.6 5.6 60.1 33.8 55 83 A Q H >X S+ 0 0 56 -4,-2.0 3,-1.4 1,-0.3 4,-0.9 0.875 102.6 61.6 -60.7 -37.3 2.7 59.7 36.2 56 84 A S H 3< S+ 0 0 8 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.683 86.5 74.8 -66.9 -12.5 4.0 56.3 37.1 57 85 A E T << S+ 0 0 41 -3,-1.6 -1,-0.3 -4,-0.7 3,-0.2 0.811 109.3 29.6 -67.3 -27.9 7.3 57.9 38.5 58 86 A T T <4 S+ 0 0 125 -3,-1.4 2,-0.4 -4,-0.4 -1,-0.2 0.452 124.6 49.2-111.4 -3.6 5.4 59.0 41.5 59 87 A Q >< - 0 0 92 -4,-0.9 3,-2.3 1,-0.1 4,-0.3 -0.799 67.8-174.5-131.5 91.0 2.9 56.2 41.6 60 88 A K T 3 S+ 0 0 157 -2,-0.4 3,-0.2 1,-0.3 -1,-0.1 0.661 84.0 48.3 -71.3 -15.4 5.0 53.1 41.3 61 89 A Q T > S+ 0 0 134 1,-0.1 3,-1.5 2,-0.1 4,-0.3 0.361 80.1 102.2 -96.3 3.7 1.9 50.9 41.1 62 90 A L G X S+ 0 0 1 -3,-2.3 3,-1.7 1,-0.3 29,-0.5 0.861 75.4 57.4 -57.6 -40.0 0.0 53.0 38.4 63 91 A L G 3 S+ 0 0 30 -4,-0.3 29,-2.5 1,-0.3 30,-0.4 0.706 105.0 53.1 -70.5 -16.2 0.9 50.6 35.5 64 92 A N G < S+ 0 0 98 -3,-1.5 -1,-0.3 27,-0.2 -2,-0.2 0.424 81.1 118.5 -93.4 -0.2 -0.8 47.8 37.4 65 93 A Q < - 0 0 75 -3,-1.7 26,-1.4 -4,-0.3 2,-0.2 -0.501 64.1-128.3 -68.9 126.8 -4.0 49.7 37.9 66 94 A P E -F 90 0C 89 0, 0.0 2,-0.4 0, 0.0 24,-0.2 -0.530 19.8-162.4 -76.5 143.9 -7.0 48.0 36.2 67 95 A V E -F 89 0C 31 22,-2.2 22,-2.2 -2,-0.2 2,-0.2 -0.998 21.9-118.4-126.8 128.7 -9.3 50.0 33.9 68 96 A E E -F 88 0C 117 -2,-0.4 2,-0.6 20,-0.2 20,-0.3 -0.438 18.1-156.3 -68.5 135.4 -12.7 48.7 33.0 69 97 A I E -F 87 0C 0 18,-2.6 17,-2.6 15,-0.4 18,-0.7 -0.962 16.7-173.2-111.4 109.2 -13.4 48.1 29.3 70 98 A K >> - 0 0 83 -2,-0.6 3,-1.9 15,-0.2 4,-0.6 -0.703 37.0-111.7 -97.3 156.2 -17.2 48.3 28.6 71 99 A P G >4 S+ 0 0 75 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.888 119.3 55.1 -50.7 -42.3 -18.9 47.5 25.3 72 100 A A G 34 S+ 0 0 98 1,-0.3 -3,-0.0 -3,-0.0 0, 0.0 0.597 97.1 66.2 -71.2 -12.2 -19.7 51.2 24.7 73 101 A D G <4 S+ 0 0 49 -3,-1.9 -1,-0.3 2,-0.0 2,-0.1 0.716 77.2 103.6 -78.2 -21.1 -16.0 52.0 25.1 74 102 A L << + 0 0 53 -3,-1.3 2,-0.1 -4,-0.6 4,-0.1 -0.407 48.3 176.5 -66.1 136.0 -15.0 50.2 21.9 75 103 A V - 0 0 49 -2,-0.1 3,-0.2 2,-0.1 -1,-0.1 0.136 49.1 -54.9-111.4-130.6 -14.4 52.4 19.0 76 104 A N S S+ 0 0 104 1,-0.3 2,-0.2 -2,-0.1 -2,-0.1 0.472 120.5 29.5-102.5 -4.6 -13.2 51.7 15.4 77 105 A Y + 0 0 125 1,-0.0 27,-2.9 0, 0.0 28,-0.7 -0.737 62.4 149.4-159.2 103.0 -9.9 49.7 15.9 78 106 A N > + 0 0 18 -2,-0.2 4,-2.4 25,-0.2 5,-0.3 -0.348 1.5 155.4-138.5 50.7 -9.6 47.6 19.0 79 107 A P T 4 S+ 0 0 34 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.786 87.3 23.7 -59.5 -32.2 -7.5 44.5 18.3 80 108 A I T >4 S+ 0 0 31 -3,-0.1 3,-1.6 2,-0.1 4,-0.4 0.851 120.5 54.4 -96.0 -49.4 -6.5 44.2 22.0 81 109 A A G >4 S+ 0 0 0 1,-0.3 3,-1.9 2,-0.2 4,-0.2 0.822 97.2 65.4 -60.8 -33.5 -9.4 45.9 23.8 82 110 A E G >< S+ 0 0 113 -4,-2.4 3,-0.8 1,-0.3 -1,-0.3 0.796 96.4 58.8 -60.7 -25.6 -12.1 43.8 22.1 83 111 A K G < S+ 0 0 145 -3,-1.6 -1,-0.3 -5,-0.3 -2,-0.2 0.680 109.3 43.8 -72.4 -14.6 -10.7 40.8 23.9 84 112 A H G X S+ 0 0 48 -3,-1.9 3,-2.1 -4,-0.4 -15,-0.4 0.174 75.0 140.5-118.5 12.0 -11.3 42.4 27.3 85 113 A V T < S+ 0 0 48 -3,-0.8 -15,-0.2 1,-0.3 3,-0.1 -0.336 78.2 19.1 -62.9 142.2 -14.7 43.9 27.0 86 114 A N T 3 S+ 0 0 115 -17,-2.6 -1,-0.3 1,-0.3 2,-0.2 0.628 127.1 67.3 64.0 14.8 -16.7 43.4 30.2 87 115 A G E < S-F 69 0C 29 -3,-2.1 -18,-2.6 -18,-0.7 -1,-0.3 -0.402 85.3 -96.9-129.4-147.3 -13.3 42.9 31.9 88 116 A T E -F 68 0C 67 -20,-0.3 2,-0.3 -2,-0.2 -20,-0.2 -0.936 14.5-156.8-139.2 158.4 -10.3 45.1 32.5 89 117 A M E -F 67 0C 0 -22,-2.2 -22,-2.2 -2,-0.3 2,-0.1 -0.983 26.3-122.2-129.6 144.8 -6.9 46.0 31.2 90 118 A T E > -F 66 0C 34 -2,-0.3 4,-2.4 -24,-0.2 5,-0.2 -0.411 28.9-109.8 -77.4 162.9 -4.0 47.5 33.3 91 119 A L H > S+ 0 0 0 -26,-1.4 4,-2.4 -29,-0.5 -27,-0.2 0.846 122.2 55.0 -60.5 -31.4 -2.5 50.8 32.3 92 120 A A H > S+ 0 0 27 -29,-2.5 4,-2.7 2,-0.2 5,-0.2 0.939 109.9 46.4 -63.7 -44.8 0.7 48.9 31.3 93 121 A E H > S+ 0 0 87 -30,-0.4 4,-2.5 2,-0.2 -2,-0.2 0.882 112.5 49.1 -63.4 -36.2 -1.5 46.7 29.0 94 122 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.910 111.3 50.7 -72.0 -39.8 -3.3 49.8 27.6 95 123 A S H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.947 113.5 43.9 -59.1 -50.5 0.0 51.5 27.0 96 124 A A H X>S+ 0 0 19 -4,-2.7 4,-2.9 2,-0.2 5,-0.6 0.878 113.9 51.7 -64.6 -38.3 1.4 48.5 25.1 97 125 A A H X>S+ 0 0 2 -4,-2.5 6,-1.9 -5,-0.2 4,-1.5 0.938 112.3 44.8 -63.2 -46.6 -1.8 48.1 23.2 98 126 A A H X5S+ 0 0 0 -4,-2.7 4,-0.5 4,-0.3 -2,-0.2 0.933 122.4 37.1 -62.7 -46.2 -1.9 51.7 22.1 99 127 A L H <5S+ 0 0 2 -4,-2.8 108,-0.2 -5,-0.2 -2,-0.2 0.935 126.4 30.8 -73.5 -44.9 1.8 51.7 21.1 100 128 A Q H <5S+ 0 0 33 -4,-2.9 87,-2.2 -5,-0.2 88,-0.3 0.730 134.8 24.3 -94.5 -24.8 2.5 48.3 19.7 101 129 A Y H < - 0 0 0 -6,-1.9 4,-1.9 1,-0.2 -25,-0.2 -0.497 18.6-159.0 -65.4 121.5 -5.4 50.2 19.5 104 132 A N H > S+ 0 0 8 -27,-2.9 4,-2.2 -2,-0.4 34,-0.3 0.818 90.5 53.6 -75.7 -32.5 -7.8 53.2 19.6 105 133 A T H > S+ 0 0 0 -28,-0.7 4,-1.9 2,-0.2 -1,-0.2 0.925 108.5 51.5 -66.2 -43.6 -9.8 52.1 22.6 106 134 A A H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.931 107.7 52.1 -56.6 -46.9 -6.5 51.7 24.5 107 135 A M H X S+ 0 0 0 -4,-1.9 4,-2.8 1,-0.2 -1,-0.2 0.906 105.9 55.2 -55.1 -45.6 -5.5 55.3 23.5 108 136 A N H X S+ 0 0 33 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.888 106.5 50.2 -56.2 -39.6 -8.8 56.6 24.8 109 137 A K H X S+ 0 0 38 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.885 109.6 51.2 -66.7 -36.1 -8.2 55.0 28.2 110 138 A L H X S+ 0 0 0 -4,-1.9 4,-1.2 2,-0.2 -2,-0.2 0.945 111.2 48.1 -62.2 -46.5 -4.7 56.7 28.2 111 139 A I H ><>S+ 0 0 2 -4,-2.8 5,-2.8 1,-0.2 3,-0.5 0.912 111.6 50.0 -59.6 -44.9 -6.3 60.1 27.4 112 140 A A H ><5S+ 0 0 69 -4,-2.5 3,-1.6 1,-0.2 -1,-0.2 0.898 105.2 56.8 -62.9 -41.5 -8.9 59.6 30.1 113 141 A Q H 3<5S+ 0 0 57 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.829 108.9 47.9 -53.5 -32.9 -6.2 58.7 32.7 114 142 A L T <<5S- 0 0 24 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.384 124.8-103.2 -94.2 2.2 -4.7 62.1 31.8 115 143 A G T < 5S- 0 0 72 -3,-1.6 -3,-0.2 -4,-0.2 3,-0.2 0.699 77.0 -47.3 83.9 21.8 -8.0 64.0 32.2 116 144 A G S >>> S+ 0 0 24 0, 0.0 4,-2.0 0, 0.0 3,-0.8 0.873 129.5 62.4 -56.6 -39.0 -6.7 65.5 25.4 118 146 A G H 3> S+ 0 0 49 1,-0.3 4,-2.3 2,-0.2 -2,-0.1 0.776 96.6 58.4 -57.1 -26.7 -5.7 68.7 27.2 119 147 A G H <> S+ 0 0 23 -3,-1.7 4,-1.8 2,-0.2 -1,-0.3 0.846 105.1 49.9 -75.0 -29.1 -3.8 66.7 29.8 120 148 A V H <>S+ 0 0 0 -4,-2.2 5,-2.7 1,-0.2 3,-0.7 0.927 111.1 48.1 -52.3 -47.5 4.0 68.1 26.1 125 153 A R H ><5S+ 0 0 102 -4,-2.6 3,-1.7 1,-0.2 -1,-0.2 0.897 105.9 57.9 -62.2 -41.2 4.3 71.7 27.5 126 154 A A H 3<5S+ 0 0 83 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 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3,-1.6 15,-0.2 4,-0.6 -0.659 35.1-115.6 -94.3 154.6 16.2 87.8 -24.5 333 99 B P G >4 S+ 0 0 78 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 0.886 117.8 56.6 -53.9 -35.8 14.6 90.5 -22.3 334 100 B A G 34 S+ 0 0 87 1,-0.2 -3,-0.0 -3,-0.0 13,-0.0 0.631 95.6 65.6 -74.2 -15.1 13.6 87.7 -19.9 335 101 B D G <4 S+ 0 0 35 -3,-1.6 -1,-0.2 2,-0.0 35,-0.1 0.690 75.6 106.7 -75.7 -20.8 17.3 86.6 -19.6 336 102 B L << + 0 0 54 -3,-1.1 2,-0.1 -4,-0.6 4,-0.1 -0.395 46.9 176.9 -64.5 136.1 18.3 89.8 -17.9 337 103 B V - 0 0 47 -2,-0.1 3,-0.2 2,-0.1 -1,-0.1 0.120 49.6 -53.4-111.2-130.8 19.0 89.4 -14.1 338 104 B N S S+ 0 0 100 1,-0.3 2,-0.2 -2,-0.1 -2,-0.1 0.418 121.5 27.5-104.0 0.2 20.2 91.9 -11.5 339 105 B Y + 0 0 129 1,-0.0 27,-2.7 0, 0.0 28,-0.7 -0.664 62.9 152.2-161.1 101.8 23.5 93.3 -13.0 340 106 B N > + 0 0 19 25,-0.2 4,-2.3 -2,-0.2 5,-0.3 -0.415 2.2 156.2-137.0 54.5 23.7 93.3 -16.8 341 107 B P T 4 S+ 0 0 36 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.785 85.7 23.3 -63.1 -29.5 26.0 96.2 -17.8 342 108 B I T >4 S+ 0 0 42 -3,-0.1 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105.6 50.9 -64.3 -39.2 32.5 68.8 -13.9 385 151 B F H X S+ 0 0 17 -4,-2.0 4,-1.5 2,-0.2 -1,-0.2 0.932 107.8 53.7 -61.5 -43.2 35.1 70.9 -15.7 386 152 B A H ><>S+ 0 0 0 -4,-1.9 5,-2.7 1,-0.2 3,-0.6 0.941 110.3 46.9 -55.1 -47.1 36.7 71.7 -12.2 387 153 B R H ><5S+ 0 0 80 -4,-2.5 3,-1.2 1,-0.2 -1,-0.2 0.878 106.9 58.6 -62.2 -37.2 36.9 67.9 -11.6 388 154 B A H 3<5S+ 0 0 86 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.785 108.0 45.2 -64.5 -28.0 38.4 67.4 -15.0 389 155 B I T <<5S- 0 0 20 -4,-1.5 -1,-0.3 -3,-0.6 -2,-0.2 0.321 128.3 -93.7-100.0 7.1 41.3 69.7 -14.2 390 156 B G T < 5S+ 0 0 55 -3,-1.2 2,-0.8 -4,-0.3 -3,-0.2 0.561 81.2 133.2 100.6 8.5 42.0 68.2 -10.9 391 157 B D < + 0 0 5 -5,-2.7 -1,-0.2 -6,-0.2 -2,-0.2 -0.852 20.1 170.0 -95.3 106.3 39.9 70.5 -8.5 392 158 B E S S+ 0 0 138 -2,-0.8 -1,-0.1 1,-0.1 -5,-0.1 0.315 71.5 55.8 -94.7 5.6 38.0 68.2 -6.2 393 159 B T S S+ 0 0 39 -7,-0.1 21,-0.1 23,-0.1 -1,-0.1 0.809 78.8 94.4-106.5 -47.4 36.9 71.1 -3.9 394 160 B F - 0 0 0 21,-0.1 2,-0.3 -8,-0.1 21,-0.2 -0.212 49.2-179.5 -50.9 133.7 35.1 73.6 -6.2 395 161 B R - 0 0 70 19,-1.6 2,-0.5 16,-0.1 19,-0.4 -0.953 15.5-169.7-139.2 131.7 31.3 73.3 -6.4 396 162 B L + 0 0 3 -17,-0.4 -13,-0.3 -2,-0.3 -14,-0.1 -0.982 18.3 159.0-111.8 125.7 28.8 75.4 -8.4 397 163 B D + 0 0 61 -2,-0.5 2,-0.2 1,-0.1 -17,-0.2 0.652 55.0 38.2-116.1 -30.4 25.2 74.7 -7.5 398 164 B R - 0 0 34 -19,-0.1 2,-0.1 -20,-0.1 -1,-0.1 -0.757 67.3-124.0-127.3 165.2 23.2 77.7 -8.6 399 165 B T > - 0 0 63 -2,-0.2 4,-1.8 1,-0.1 3,-0.1 -0.370 57.8 -35.4 -93.9-176.9 22.9 80.2 -11.4 400 166 B E T 4 S+ 0 0 3 1,-0.3 -1,-0.1 -34,-0.3 -30,-0.0 -0.676 117.5 13.7 -83.0 143.6 23.0 84.0 -11.0 401 167 B P T >4 S+ 0 0 50 0, 0.0 3,-1.8 0, 0.0 -1,-0.3 -0.997 122.2 53.5 -95.6 -2.4 22.0 85.8 -8.9 402 168 B T G >4 S+ 0 0 68 1,-0.3 3,-1.8 2,-0.2 -2,-0.2 0.693 88.5 77.6 -73.9 -14.6 21.2 83.2 -6.1 403 169 B L G 3< S+ 0 0 1 -4,-1.8 -100,-0.5 1,-0.3 3,-0.4 0.663 91.1 61.8 -63.8 -10.0 24.7 81.7 -6.1 404 170 B N G < + 0 0 18 -3,-1.8 69,-2.0 1,-0.2 -1,-0.3 0.205 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