==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 20-JUN-06 2HDR . COMPND 2 MOLECULE: BETA-LACTAMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI K12; . AUTHOR K.BABAOGLU,B.K.SHOICHET . 710 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28183.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 504 71.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 133 18.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 1.4 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 . 36 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 82 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 193 27.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 3.0 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 5 2 0 1 2 0 4 2 2 0 2 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 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 . 4 8 6 2 0 2 5 1 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 . 5 3 0 0 0 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 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 4 A A 0 0 89 0, 0.0 35,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 85.6 24.0 -20.3 35.4 2 5 A P > - 0 0 53 0, 0.0 4,-2.2 0, 0.0 5,-0.1 -0.213 360.0-119.5 -56.2 154.0 24.6 -19.6 39.1 3 6 A Q H > S+ 0 0 127 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.780 110.8 63.5 -70.3 -27.4 21.6 -18.1 41.0 4 7 A Q H > S+ 0 0 94 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.948 110.5 37.1 -59.1 -49.9 23.6 -15.0 41.9 5 8 A I H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.930 116.4 54.0 -68.8 -46.0 23.8 -14.0 38.2 6 9 A N H X S+ 0 0 25 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.918 110.9 44.0 -52.7 -52.5 20.3 -15.3 37.3 7 10 A D H X S+ 0 0 69 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.910 114.5 46.6 -66.5 -46.7 18.5 -13.2 40.0 8 11 A I H X S+ 0 0 31 -4,-1.6 4,-1.2 -5,-0.3 -1,-0.2 0.882 115.0 48.2 -64.2 -37.5 20.4 -9.9 39.4 9 12 A V H X S+ 0 0 0 -4,-2.2 4,-3.2 2,-0.2 3,-0.4 0.950 115.8 41.4 -68.1 -52.0 19.9 -10.2 35.6 10 13 A H H X S+ 0 0 83 -4,-2.4 4,-1.4 -5,-0.2 -2,-0.2 0.851 114.1 54.1 -65.4 -35.0 16.2 -11.0 35.7 11 14 A R H < S+ 0 0 193 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.762 118.8 34.8 -66.5 -29.0 15.7 -8.4 38.5 12 15 A T H X S+ 0 0 21 -4,-1.2 4,-1.1 -3,-0.4 -2,-0.2 0.859 121.9 41.4 -92.8 -44.4 17.3 -5.7 36.3 13 16 A I H X S+ 0 0 0 -4,-3.2 4,-2.6 2,-0.2 5,-0.2 0.861 104.0 62.5 -78.8 -39.5 16.3 -6.6 32.8 14 17 A T H X S+ 0 0 69 -4,-1.4 4,-1.8 -5,-0.3 -1,-0.2 0.919 108.6 42.2 -55.8 -48.7 12.6 -7.6 33.3 15 18 A P H > S+ 0 0 46 0, 0.0 4,-3.4 0, 0.0 5,-0.3 0.911 112.7 55.0 -64.4 -40.4 11.6 -4.1 34.5 16 19 A L H X S+ 0 0 15 -4,-1.1 4,-2.8 2,-0.2 5,-0.2 0.930 108.6 47.7 -54.4 -50.1 13.7 -2.4 31.8 17 20 A I H X>S+ 0 0 27 -4,-2.6 5,-1.7 2,-0.2 4,-0.7 0.892 116.6 43.7 -60.3 -42.7 11.9 -4.4 29.0 18 21 A E H <5S+ 0 0 151 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.925 116.5 46.0 -67.4 -46.8 8.5 -3.5 30.5 19 22 A Q H <5S+ 0 0 152 -4,-3.4 -2,-0.2 1,-0.2 -3,-0.2 0.849 122.6 35.5 -67.8 -36.1 9.3 0.1 31.1 20 23 A Q H <5S- 0 0 54 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.2 0.472 103.3-129.4 -95.9 -3.8 10.9 0.7 27.7 21 24 A K T <5 - 0 0 164 -4,-0.7 -3,-0.2 -5,-0.2 -4,-0.1 0.935 37.5-179.0 54.3 51.6 8.5 -1.7 25.8 22 25 A I < - 0 0 6 -5,-1.7 -1,-0.2 -6,-0.2 3,-0.1 -0.726 21.7-153.1 -85.2 122.5 11.3 -3.6 24.2 23 26 A P S S+ 0 0 28 0, 0.0 19,-2.1 0, 0.0 2,-0.3 0.923 75.0 4.2 -62.5 -45.8 9.9 -6.3 21.9 24 27 A G E +A 41 0A 1 17,-0.3 309,-1.8 19,-0.1 2,-0.3 -0.997 64.7 178.9-145.6 145.8 13.0 -8.6 22.1 25 28 A M E -AB 40 332A 0 15,-2.0 15,-3.0 -2,-0.3 2,-0.4 -0.998 11.7-164.1-150.4 141.0 16.3 -8.7 24.0 26 29 A A E -AB 39 331A 0 305,-2.9 305,-3.0 -2,-0.3 2,-0.4 -0.989 13.3-174.4-123.9 137.4 19.3 -10.9 24.4 27 30 A V E -AB 38 330A 0 11,-3.0 11,-2.5 -2,-0.4 2,-0.4 -0.990 7.3-170.8-132.1 138.1 21.8 -10.5 27.3 28 31 A A E -AB 37 329A 0 301,-2.2 301,-2.3 -2,-0.4 2,-0.5 -0.999 5.9-161.8-125.6 132.5 25.1 -12.2 28.0 29 32 A V E -AB 36 328A 0 7,-2.6 7,-2.0 -2,-0.4 2,-0.6 -0.971 7.7-153.1-109.9 127.8 27.1 -11.9 31.2 30 33 A I E +AB 35 327A 2 297,-2.8 297,-2.2 -2,-0.5 2,-0.4 -0.924 23.7 170.0-100.6 121.5 30.7 -12.9 31.2 31 34 A Y E > -AB 34 326A 46 3,-2.4 3,-0.8 -2,-0.6 295,-0.2 -0.985 65.5 -17.1-142.3 116.8 31.8 -14.0 34.7 32 35 A Q T 3 S- 0 0 134 293,-0.7 294,-0.1 292,-0.4 293,-0.1 0.823 128.6 -50.6 53.0 37.7 35.1 -15.6 35.5 33 36 A G T 3 S+ 0 0 34 292,-0.8 -1,-0.2 1,-0.2 293,-0.1 0.738 118.3 102.2 77.9 23.8 35.7 -16.5 31.8 34 37 A K E < -A 31 0A 134 -3,-0.8 -3,-2.4 2,-0.0 2,-0.3 -1.000 64.0-131.7-138.0 136.3 32.4 -18.1 31.1 35 38 A P E -A 30 0A 61 0, 0.0 2,-0.4 0, 0.0 -5,-0.2 -0.646 12.9-162.6 -88.9 147.0 29.3 -16.6 29.3 36 39 A Y E -A 29 0A 39 -7,-2.0 -7,-2.6 -2,-0.3 2,-0.3 -0.997 13.7-150.9-129.8 124.9 25.8 -16.8 30.7 37 40 A Y E +A 28 0A 52 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.2 -0.744 16.5 177.1-107.4 143.3 22.9 -16.1 28.2 38 41 A F E -A 27 0A 16 -11,-2.5 -11,-3.0 -2,-0.3 2,-0.3 -0.994 6.8-171.5-140.4 138.7 19.4 -14.7 28.7 39 42 A T E -A 26 0A 60 -2,-0.3 2,-0.3 -13,-0.2 -13,-0.2 -0.994 2.3-175.9-136.6 143.3 16.7 -14.0 26.1 40 43 A W E -A 25 0A 43 -15,-3.0 -15,-2.0 -2,-0.3 11,-0.1 -0.972 42.6 -25.6-134.1 149.5 13.3 -12.3 26.1 41 44 A G E S-A 24 0A 36 -2,-0.3 10,-2.3 -17,-0.2 2,-0.4 0.014 88.2 -17.2 60.6-148.4 10.5 -11.6 23.7 42 45 A Y E -I 50 0B 116 -19,-2.1 3,-0.2 8,-0.3 291,-0.2 -0.806 19.4-173.0-116.7 136.5 10.5 -11.5 20.0 43 46 A A E S+ 0 0 7 6,-2.2 155,-2.6 -2,-0.4 2,-0.4 0.740 101.1 23.2 -79.4 -32.6 12.9 -11.1 17.1 44 47 A D E > -I 49 0B 21 5,-1.6 5,-1.6 153,-0.2 -1,-0.3 -0.947 68.0-171.5-139.3 111.4 9.9 -10.9 14.7 45 48 A I T > 5S+ 0 0 88 -2,-0.4 3,-0.9 -3,-0.2 -1,-0.1 0.921 86.1 49.1 -73.2 -43.7 6.6 -9.8 16.2 46 49 A A T 3 5S+ 0 0 87 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.901 118.5 38.6 -64.4 -42.9 4.5 -10.5 13.2 47 50 A K T 3 5S- 0 0 131 2,-0.1 -1,-0.2 1,-0.0 -2,-0.2 0.305 106.5-125.2 -93.2 8.8 5.8 -14.0 12.6 48 51 A K T < 5 + 0 0 164 -3,-0.9 -3,-0.2 -4,-0.2 -2,-0.1 0.759 50.1 163.3 56.3 31.6 6.0 -14.8 16.4 49 52 A Q E < -I 44 0B 92 -5,-1.6 -6,-2.2 1,-0.0 -5,-1.6 -0.701 30.5-134.6 -85.9 126.9 9.7 -15.7 16.2 50 53 A P E -I 42 0B 70 0, 0.0 2,-0.3 0, 0.0 -8,-0.3 -0.415 19.7-105.0 -78.1 153.2 11.4 -15.7 19.6 51 54 A V + 0 0 7 -10,-2.3 2,-0.2 -11,-0.1 -12,-0.1 -0.601 50.8 170.6 -68.2 133.8 14.8 -14.2 20.5 52 55 A T > - 0 0 48 -2,-0.3 3,-1.0 143,-0.2 172,-0.3 -0.776 52.3 -90.7-132.2-178.7 17.4 -17.0 20.8 53 56 A Q T 3 S+ 0 0 72 -2,-0.2 172,-0.9 1,-0.2 171,-0.1 0.570 126.7 52.8 -70.9 -10.3 21.2 -17.3 21.1 54 57 A Q T 3 S+ 0 0 88 169,-0.1 -1,-0.2 170,-0.1 2,-0.2 0.406 80.3 120.3-103.4 -2.1 21.3 -17.4 17.3 55 58 A T < - 0 0 4 -3,-1.0 2,-0.5 141,-0.1 169,-0.5 -0.450 59.6-136.1 -67.7 130.5 19.3 -14.3 16.7 56 59 A L B -j 196 0C 0 139,-2.3 141,-2.0 136,-0.2 2,-0.3 -0.786 22.5-172.3 -88.4 127.4 21.2 -11.6 14.8 57 60 A F E -K 222 0D 1 165,-3.1 165,-2.3 -2,-0.5 2,-0.5 -0.903 30.3-110.6-113.0 149.2 20.9 -8.0 16.1 58 61 A E E -K 221 0D 4 -2,-0.3 163,-0.2 163,-0.2 274,-0.2 -0.686 24.3-159.8 -74.9 125.3 22.2 -4.9 14.4 59 62 A L > - 0 0 0 161,-2.6 3,-1.6 -2,-0.5 257,-0.2 0.703 16.4-172.4 -80.1 -21.4 25.1 -3.6 16.5 60 63 A G G > S- 0 0 0 160,-0.5 3,-2.2 158,-0.5 160,-0.4 -0.406 71.8 -0.8 59.1-135.4 25.0 -0.0 15.2 61 64 A S G > S+ 0 0 16 249,-0.3 3,-1.5 1,-0.3 -1,-0.3 0.563 117.0 80.9 -64.1 -11.5 28.0 2.0 16.6 62 65 A V G X> S+ 0 0 0 -3,-1.6 3,-1.9 1,-0.3 4,-0.7 0.791 79.1 74.7 -62.5 -23.6 29.3 -1.0 18.5 63 66 A S H X> S+ 0 0 0 -3,-2.2 4,-1.9 1,-0.3 3,-0.6 0.809 80.2 70.4 -50.1 -34.1 30.6 -1.9 15.0 64 67 A K H <> S+ 0 0 0 -3,-1.5 4,-2.0 153,-0.5 -1,-0.3 0.697 89.2 61.0 -62.4 -21.8 33.3 0.8 15.6 65 68 A T H <> S+ 0 0 0 -3,-1.9 4,-1.7 202,-0.3 -1,-0.2 0.876 105.6 46.2 -71.9 -38.8 34.9 -1.4 18.2 66 69 A F H S+ 0 0 2 -4,-1.9 5,-2.3 2,-0.2 6,-1.0 0.851 109.6 50.9 -63.1 -35.1 47.0 -3.3 10.9 75 78 A I H ><5S+ 0 0 10 -4,-1.7 3,-1.6 4,-0.2 -2,-0.2 0.945 109.5 49.5 -65.0 -47.9 49.3 -1.2 13.1 76 79 A A H 3<5S+ 0 0 11 -4,-2.4 584,-0.2 1,-0.3 -2,-0.2 0.805 107.2 56.3 -60.1 -32.2 50.7 -4.4 14.8 77 80 A R T 3<5S- 0 0 107 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.590 114.6-118.5 -74.4 -12.3 51.3 -5.8 11.3 78 81 A G T < 5S+ 0 0 56 -3,-1.6 -3,-0.2 -4,-0.4 -2,-0.1 0.615 83.4 118.3 80.5 15.7 53.4 -2.8 10.4 79 82 A E S - 0 0 58 -2,-0.3 3,-1.4 4,-0.1 22,-0.3 -0.993 17.4-138.9-129.3 140.4 50.8 4.0 11.7 82 85 A L T 3 S+ 0 0 10 -2,-0.4 22,-2.1 1,-0.3 23,-0.3 0.722 106.9 60.0 -66.3 -21.6 48.3 6.2 13.6 83 86 A S T 3 S+ 0 0 28 571,-0.3 -1,-0.3 20,-0.2 570,-0.2 0.499 83.1 106.4 -82.0 -8.4 50.9 9.0 13.3 84 87 A D S < S- 0 0 15 -3,-1.4 19,-2.0 1,-0.1 20,-0.3 -0.477 79.4-108.0 -71.5 142.4 50.8 8.9 9.5 85 88 A P B >> -M 102 0E 58 0, 0.0 3,-1.2 0, 0.0 4,-0.5 -0.436 20.6-124.1 -65.3 145.7 48.9 11.7 7.6 86 89 A T H >> S+ 0 0 0 15,-3.0 3,-1.3 12,-0.3 4,-1.0 0.855 110.2 65.5 -55.0 -37.0 45.6 10.8 6.1 87 90 A T H 34 S+ 0 0 41 11,-0.4 -1,-0.2 14,-0.4 6,-0.2 0.757 87.1 68.7 -62.5 -26.0 47.0 12.0 2.7 88 91 A K H <4 S+ 0 0 121 -3,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.858 110.1 34.0 -58.3 -36.0 49.5 9.2 2.7 89 92 A Y H << S+ 0 0 22 -3,-1.3 -1,-0.2 -4,-0.5 -2,-0.2 0.529 130.7 34.6 -99.8 -9.7 46.7 6.6 2.2 90 93 A W >< + 0 0 28 -4,-1.0 3,-1.7 3,-0.1 -1,-0.3 -0.649 63.7 172.4-141.3 81.3 44.5 8.9 0.1 91 94 A P T 3 S+ 0 0 85 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.685 76.7 69.3 -64.5 -19.8 46.8 11.1 -2.1 92 95 A E T 3 S+ 0 0 104 1,-0.2 2,-2.4 -3,-0.1 3,-0.1 0.644 74.4 91.1 -69.0 -17.5 43.8 12.5 -4.0 93 96 A L < + 0 0 2 -3,-1.7 -1,-0.2 1,-0.2 -3,-0.1 -0.515 51.2 150.2 -75.4 73.6 42.9 14.2 -0.7 94 97 A T + 0 0 105 -2,-2.4 -1,-0.2 3,-0.0 2,-0.1 0.405 21.7 121.3 -94.8 0.2 44.9 17.2 -2.0 95 98 A A > - 0 0 16 -3,-0.1 3,-1.7 1,-0.1 4,-0.1 -0.436 68.6-126.3 -70.2 141.9 42.9 19.9 -0.1 96 99 A K G > S+ 0 0 178 1,-0.3 3,-1.0 2,-0.2 -1,-0.1 0.612 102.4 70.1 -69.9 -16.7 45.0 22.0 2.3 97 100 A Q G 3 S+ 0 0 36 1,-0.2 -1,-0.3 36,-0.2 -2,-0.0 0.671 88.3 66.9 -70.8 -17.3 42.8 21.4 5.4 98 101 A W G X S+ 0 0 0 -3,-1.7 3,-1.4 2,-0.1 2,-0.5 0.445 72.2 112.2 -85.9 -2.1 44.1 17.7 5.4 99 102 A N T < S+ 0 0 113 -3,-1.0 3,-0.1 1,-0.2 -5,-0.0 -0.626 88.2 12.4 -67.2 120.5 47.6 18.9 6.3 100 103 A G T 3 S+ 0 0 49 -2,-0.5 2,-0.7 1,-0.2 -1,-0.2 0.455 93.6 125.4 89.9 1.8 48.2 17.7 9.8 101 104 A I < - 0 0 1 -3,-1.4 -15,-3.0 40,-0.0 -14,-0.4 -0.869 41.3-172.9 -96.8 113.9 45.2 15.3 10.0 102 105 A T B > -M 85 0E 16 -2,-0.7 4,-1.6 -17,-0.3 3,-0.1 -0.466 40.6-101.2-101.6 171.0 46.4 11.9 10.9 103 106 A L H > S+ 0 0 0 -19,-2.0 4,-2.4 -22,-0.3 -20,-0.2 0.811 121.8 59.2 -60.8 -33.0 44.8 8.4 11.1 104 107 A L H > S+ 0 0 11 -22,-2.1 4,-1.7 -20,-0.3 6,-0.2 0.921 103.1 51.9 -58.6 -46.6 44.6 8.8 14.9 105 108 A H H 4>S+ 0 0 23 -23,-0.3 5,-2.1 1,-0.2 6,-0.7 0.886 111.5 46.2 -59.0 -41.6 42.5 12.0 14.4 106 109 A L H ><5S+ 0 0 0 -4,-1.6 3,-0.9 1,-0.2 -1,-0.2 0.935 113.1 50.3 -64.3 -45.6 40.1 10.1 12.1 107 110 A A H 3<5S+ 0 0 0 -4,-2.4 160,-0.6 1,-0.2 -2,-0.2 0.743 118.3 36.9 -64.0 -27.8 39.9 7.1 14.5 108 111 A T T 3<5S- 0 0 0 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.169 108.9-109.9-120.0 13.5 39.2 9.2 17.6 109 112 A Y T < 5S+ 0 0 4 -3,-0.9 37,-2.3 -4,-0.4 4,-0.2 0.756 85.8 115.4 67.0 28.5 36.9 12.0 16.2 110 113 A T < + 0 0 0 -5,-2.1 32,-3.1 -6,-0.2 33,-0.4 0.084 29.7 109.6-117.3 21.5 39.5 14.7 16.6 111 114 A A S S- 0 0 2 -6,-0.7 -1,-0.1 30,-0.2 -5,-0.1 0.728 102.5 -82.4 -69.8 -23.4 40.1 15.7 12.9 112 115 A G S S- 0 0 0 32,-0.4 26,-2.0 -3,-0.2 27,-1.4 0.634 88.8 -35.6 126.2 29.9 38.4 19.1 13.5 113 116 A G - 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0 0 22 -4,-0.7 -38,-0.1 -3,-0.2 -21,-0.1 -0.454 53.5-155.3 -66.1 127.6 34.8 19.7 4.1 136 139 A Q - 0 0 137 -2,-0.2 2,-0.1 -23,-0.1 -2,-0.1 -0.928 15.0-131.0-106.2 118.6 35.9 22.8 6.0 137 140 A P - 0 0 40 0, 0.0 -24,-0.2 0, 0.0 -25,-0.1 -0.431 7.7-155.7 -68.3 141.1 37.1 22.0 9.6 138 141 A A S S+ 0 0 75 -26,-2.0 2,-0.3 -2,-0.1 -25,-0.2 0.740 78.8 24.3 -81.6 -28.8 35.7 24.1 12.4 139 142 A W S S- 0 0 69 -27,-1.4 -1,-0.1 5,-0.1 3,-0.1 -0.890 89.5 -91.0-134.0 163.7 38.8 23.4 14.6 140 143 A A >> - 0 0 57 -2,-0.3 3,-0.9 1,-0.1 4,-0.5 -0.334 59.7 -86.7 -66.5 154.1 42.5 22.5 14.4 141 144 A P T 34 S+ 0 0 49 0, 0.0 -30,-0.2 0, 0.0 -1,-0.1 -0.354 110.3 19.2 -66.5 145.5 43.3 18.8 14.5 142 145 A G T 34 S+ 0 0 19 -32,-3.1 150,-0.1 2,-0.2 -31,-0.1 0.747 103.1 90.5 70.3 26.5 43.7 17.2 17.9 143 146 A T T <4 S+ 0 0 57 -3,-0.9 147,-1.9 -33,-0.4 2,-0.4 0.688 85.3 27.8-119.3 -36.3 41.9 20.0 19.8 144 147 A Q E < -N 289 0F 43 -4,-0.5 2,-0.5 145,-0.3 -1,-0.4 -0.989 63.1-139.6-134.2 142.6 38.2 19.0 19.9 145 148 A R E +N 288 0F 28 143,-3.5 143,-2.4 -2,-0.4 2,-0.3 -0.874 23.5 170.2 -97.2 129.2 36.3 15.7 19.9 146 149 A L - 0 0 19 -37,-2.3 -32,-0.2 -2,-0.5 -35,-0.2 -0.881 36.5-122.3-140.0 105.4 33.1 15.6 17.8 147 150 A Y + 0 0 58 139,-0.4 2,-0.3 -2,-0.3 139,-0.1 -0.191 44.4 166.4 -51.7 131.6 31.6 12.1 17.4 148 151 A A > - 0 0 0 1,-0.1 4,-1.7 69,-0.0 3,-0.5 -0.947 44.6-156.4-159.9 125.6 31.3 11.2 13.7 149 152 A N H > S+ 0 0 10 -33,-2.7 4,-1.8 -2,-0.3 5,-0.2 0.799 102.5 60.2 -68.7 -30.5 30.7 8.2 11.5 150 153 A S H > S+ 0 0 0 -35,-1.1 4,-0.6 -34,-0.4 -1,-0.2 0.694 108.0 45.8 -69.6 -19.4 32.5 10.1 8.7 151 154 A S H > S+ 0 0 2 -3,-0.5 4,-1.9 -36,-0.2 3,-0.2 0.938 120.7 32.6 -85.5 -65.1 35.6 10.2 10.8 152 155 A I H X S+ 0 0 0 -4,-1.7 4,-2.0 1,-0.2 -2,-0.2 0.838 117.3 59.4 -62.0 -33.6 35.9 6.6 12.2 153 156 A G H X S+ 0 0 0 -4,-1.8 4,-1.6 -5,-0.3 -1,-0.2 0.910 106.9 44.8 -61.7 -44.6 34.4 5.3 8.9 154 157 A L H X S+ 0 0 3 -4,-0.6 4,-2.6 -3,-0.2 5,-0.3 0.852 108.5 58.3 -68.0 -37.1 37.2 6.8 6.8 155 158 A F H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.910 106.9 48.3 -56.2 -44.6 39.8 5.5 9.3 156 159 A G H X S+ 0 0 1 -4,-2.0 4,-0.8 2,-0.2 -2,-0.2 0.898 112.2 47.6 -62.8 -43.9 38.5 2.0 8.7 157 160 A A H < S+ 0 0 22 -4,-1.6 3,-0.4 1,-0.2 -2,-0.2 0.907 117.1 42.0 -65.1 -45.7 38.6 2.3 4.9 158 161 A L H >< S+ 0 0 2 -4,-2.6 3,-1.5 1,-0.2 -2,-0.2 0.868 106.1 64.1 -69.0 -37.6 42.1 3.8 4.8 159 162 A A H 3< S+ 0 0 1 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.735 103.6 46.8 -60.8 -26.4 43.5 1.4 7.5 160 163 A V T 3X>S+ 0 0 8 -4,-0.8 5,-0.9 -3,-0.4 4,-0.6 0.401 86.0 93.4 -96.5 1.0 42.9 -1.7 5.3 161 164 A K T X45S+ 0 0 98 -3,-1.5 3,-1.4 1,-0.2 -1,-0.1 0.929 81.7 51.0 -65.9 -49.3 44.5 -0.3 2.1 162 165 A P T 345S+ 0 0 61 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.749 102.3 64.2 -57.3 -26.3 48.1 -1.6 2.5 163 166 A S T 345S- 0 0 24 -3,-0.4 -2,-0.2 2,-0.2 3,-0.1 0.740 100.8-133.8 -67.3 -26.2 46.7 -5.1 3.1 164 167 A G T <<5 + 0 0 69 -3,-1.4 2,-0.3 -4,-0.6 -3,-0.1 0.567 69.1 114.3 77.6 11.3 45.3 -5.3 -0.4 165 168 A L S - 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0 0 1 -3,-0.8 2,-0.4 38,-0.2 38,-0.2 -0.989 51.0-177.3-120.8 126.9 28.9 -12.1 12.8 185 188 A W B -L 221 0D 59 36,-2.7 36,-2.9 -2,-0.4 3,-0.2 -0.959 41.3-165.6-133.9 141.1 28.3 -10.4 9.5 186 189 A I S S+ 0 0 16 -2,-0.4 2,-0.5 1,-0.3 -1,-0.1 0.846 104.8 24.4 -79.5 -44.4 28.8 -7.1 7.7 187 190 A N S S- 0 0 114 -3,-0.1 -1,-0.3 34,-0.1 33,-0.1 -0.978 91.9-129.1-121.1 119.0 26.3 -8.4 5.1 188 191 A V - 0 0 37 -2,-0.5 5,-0.1 -3,-0.2 -3,-0.0 -0.477 25.4-133.2 -69.4 122.9 23.8 -11.0 6.3 189 192 A P > - 0 0 38 0, 0.0 3,-1.9 0, 0.0 4,-0.4 -0.401 20.4-110.9 -73.1 156.2 23.7 -14.0 4.0 190 193 A P G > S+ 0 0 118 0, 0.0 3,-1.2 0, 0.0 4,-0.4 0.813 118.0 62.4 -53.6 -35.0 20.4 -15.4 2.7 191 194 A A G 3 S+ 0 0 78 1,-0.2 3,-0.2 2,-0.1 4,-0.1 0.734 106.4 46.0 -60.5 -25.2 21.1 -18.6 4.8 192 195 A E G X> S+ 0 0 23 -3,-1.9 4,-1.1 1,-0.2 3,-0.7 0.387 81.6 102.4 -99.0 0.9 21.0 -16.4 8.0 193 196 A E G X4 S+ 0 0 135 -3,-1.2 3,-0.8 -4,-0.4 -1,-0.2 0.876 77.9 54.5 -52.1 -46.0 17.8 -14.5 7.0 194 197 A K G 34 S+ 0 0 161 -4,-0.4 -1,-0.2 1,-0.3 -2,-0.1 0.836 109.3 48.0 -61.3 -33.9 15.6 -16.5 9.4 195 198 A N G <4 S+ 0 0 32 -3,-0.7 -139,-2.3 -4,-0.1 2,-0.7 0.667 87.4 103.7 -77.0 -21.0 17.9 -15.6 12.3 196 199 A Y B << -j 56 0C 34 -4,-1.1 -139,-0.1 -3,-0.8 -141,-0.1 -0.553 67.4-142.6 -72.9 109.5 18.0 -11.9 11.4 197 200 A A - 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