==== 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 02-OCT-01 1K38 . COMPND 2 MOLECULE: BETA-LACTAMASE OXA-2; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM; . AUTHOR F.KERFF,E.FONZE,F.BOUILLENNE,J.M.FRERE,P.CHARLIER . 474 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20277.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 337 71.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 86 18.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 6 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 27 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 62 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 134 28.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.5 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 3 0 3 1 0 0 4 4 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 5 0 2 2 0 0 2 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 1 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 20 A T 0 0 133 0, 0.0 2,-0.4 0, 0.0 32,-0.2 0.000 360.0 360.0 360.0 159.8 44.9 26.5 89.8 2 21 A L E -a 33 0A 90 30,-3.2 32,-2.1 2,-0.0 2,-0.3 -0.988 360.0-135.6-129.8 127.5 45.0 30.3 89.6 3 22 A E E -a 34 0A 110 -2,-0.4 2,-0.5 30,-0.2 32,-0.2 -0.649 10.4-161.4 -80.9 134.4 42.5 32.7 91.2 4 23 A R > + 0 0 64 30,-2.7 3,-2.1 -2,-0.3 4,-0.1 -0.655 22.4 163.0-114.0 72.1 41.4 35.5 88.8 5 24 A S G > S+ 0 0 69 -2,-0.5 3,-1.7 1,-0.3 -1,-0.2 0.757 70.6 70.9 -61.7 -22.8 40.1 38.0 91.4 6 25 A D G > S+ 0 0 72 1,-0.3 3,-1.5 -3,-0.2 -1,-0.3 0.692 79.5 76.2 -67.5 -17.7 40.4 40.6 88.6 7 26 A W G X> + 0 0 0 -3,-2.1 3,-1.2 1,-0.3 4,-1.1 0.534 68.3 90.4 -70.8 -3.5 37.5 38.9 86.9 8 27 A R H <> S+ 0 0 158 -3,-1.7 4,-2.9 1,-0.3 5,-0.3 0.825 74.5 67.8 -61.4 -28.1 35.2 40.6 89.5 9 28 A K H <> S+ 0 0 128 -3,-1.5 4,-1.8 1,-0.2 -1,-0.3 0.825 97.0 52.2 -61.4 -31.5 34.9 43.4 87.0 10 29 A F H <> S+ 0 0 19 -3,-1.2 4,-0.9 -4,-0.2 -1,-0.2 0.877 112.3 44.1 -72.9 -37.5 33.0 41.2 84.7 11 30 A F H <>S+ 0 0 4 -4,-1.1 5,-2.8 2,-0.2 3,-0.4 0.905 115.3 47.7 -72.8 -40.9 30.5 40.2 87.4 12 31 A S H ><5S+ 0 0 72 -4,-2.9 3,-2.0 3,-0.2 -2,-0.2 0.857 102.6 64.0 -67.4 -33.9 30.2 43.8 88.6 13 32 A E H 3<5S+ 0 0 125 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.870 114.4 33.1 -56.2 -37.0 29.7 45.0 85.1 14 33 A F T 3<5S- 0 0 42 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.091 112.7-119.6-106.9 21.3 26.5 42.9 85.0 15 34 A Q T < 5 + 0 0 168 -3,-2.0 2,-0.3 1,-0.2 -3,-0.2 0.890 65.7 143.7 39.9 56.2 25.7 43.5 88.7 16 35 A A < - 0 0 8 -5,-2.8 2,-0.5 207,-0.1 -1,-0.2 -0.889 45.4-147.9-125.6 155.0 25.9 39.7 89.3 17 36 A K + 0 0 155 196,-0.4 196,-2.3 -2,-0.3 2,-0.3 -0.985 50.3 87.9-121.0 125.1 27.1 37.5 92.1 18 37 A G E -B 212 0A 5 -2,-0.5 2,-0.3 194,-0.2 194,-0.2 -0.948 59.5 -90.0-179.6-158.2 28.5 34.1 91.2 19 38 A T E -B 211 0A 0 192,-2.4 192,-1.9 -2,-0.3 2,-0.3 -0.937 21.0-167.7-142.3 159.5 31.5 31.9 90.3 20 39 A I E -BC 210 35A 0 15,-1.4 15,-2.3 -2,-0.3 2,-0.4 -0.968 4.7-164.2-153.2 138.0 33.2 30.8 87.1 21 40 A V E -BC 209 34A 0 188,-1.9 188,-1.8 -2,-0.3 2,-0.4 -0.985 9.3-170.6-121.1 133.5 35.8 28.1 86.4 22 41 A V E -BC 208 33A 0 11,-2.9 11,-3.0 -2,-0.4 2,-0.6 -0.993 6.4-169.4-128.9 124.1 37.7 28.1 83.1 23 42 A A E -B 207 0A 3 184,-2.3 184,-3.1 -2,-0.4 2,-0.7 -0.928 8.2-163.3-115.9 105.7 39.9 25.3 82.0 24 43 A D E +B 206 0A 22 -2,-0.6 3,-0.3 7,-0.4 182,-0.2 -0.807 13.7 174.7 -91.3 111.7 42.0 26.2 78.9 25 44 A E + 0 0 32 180,-3.0 181,-0.2 -2,-0.7 180,-0.1 0.277 50.1 104.1 -99.7 10.7 43.4 23.1 77.3 26 45 A R S S+ 0 0 42 178,-0.2 -1,-0.2 179,-0.2 2,-0.2 0.874 89.0 28.1 -60.5 -37.9 44.9 24.8 74.3 27 46 A Q S S- 0 0 111 -3,-0.3 3,-0.3 1,-0.0 2,-0.3 -0.454 100.2 -88.7-108.4-172.3 48.4 24.5 75.7 28 47 A A S S+ 0 0 90 1,-0.2 -2,-0.1 -2,-0.2 -1,-0.0 -0.727 91.5 3.1-105.5 153.1 49.8 21.9 78.1 29 48 A D S S+ 0 0 169 -2,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.868 82.0 161.2 45.6 53.8 49.9 21.7 81.8 30 49 A R - 0 0 71 -3,-0.3 2,-0.2 -6,-0.2 -1,-0.2 -0.741 39.6-112.3-102.7 152.3 48.0 25.0 82.5 31 50 A A - 0 0 52 -2,-0.3 -7,-0.4 1,-0.1 2,-0.2 -0.520 31.6-110.2 -82.1 147.5 46.2 26.0 85.7 32 51 A M - 0 0 30 -2,-0.2 -30,-3.2 -9,-0.1 2,-0.4 -0.554 31.2-132.6 -75.0 140.6 42.4 26.2 85.8 33 52 A L E +aC 2 22A 25 -11,-3.0 -11,-2.9 -2,-0.2 2,-0.4 -0.826 30.1 179.9 -97.5 135.0 41.3 29.8 86.2 34 53 A V E -aC 3 21A 4 -32,-2.1 -30,-2.7 -2,-0.4 2,-0.5 -0.997 25.4-157.9-142.1 139.9 38.7 30.5 88.9 35 54 A F E S+ C 0 20A 11 -15,-2.3 -15,-1.4 -2,-0.4 -30,-0.1 -0.977 90.0 6.4-113.8 126.0 36.7 33.5 90.2 36 55 A D S > S- 0 0 61 -2,-0.5 4,-1.9 -17,-0.2 -1,-0.3 0.999 74.0-165.2 62.9 72.5 35.5 32.8 93.8 37 56 A P H > S+ 0 0 49 0, 0.0 4,-0.6 0, 0.0 -2,-0.1 0.852 83.3 55.2 -55.1 -39.1 37.2 29.5 94.4 38 57 A V H >4 S+ 0 0 111 1,-0.2 3,-1.2 2,-0.2 4,-0.2 0.945 110.6 43.7 -63.7 -46.4 35.1 28.6 97.4 39 58 A R H >4 S+ 0 0 24 1,-0.2 3,-1.5 2,-0.2 104,-0.4 0.829 103.2 67.6 -67.6 -28.6 31.8 29.1 95.5 40 59 A S H 3< S+ 0 0 0 -4,-1.9 104,-2.4 1,-0.3 105,-0.3 0.710 104.4 44.5 -64.4 -17.5 33.3 27.1 92.6 41 60 A K T << S+ 0 0 135 -3,-1.2 2,-0.4 -4,-0.6 -1,-0.3 0.380 89.3 108.1-105.8 1.7 33.3 24.0 94.8 42 61 A K < - 0 0 103 -3,-1.5 101,-0.4 -4,-0.2 2,-0.4 -0.649 69.1-126.1 -83.1 132.6 29.8 24.6 96.3 43 62 A R + 0 0 113 -2,-0.4 2,-0.3 99,-0.2 99,-0.3 -0.634 33.9 169.8 -84.5 134.0 27.1 22.1 95.0 44 63 A Y B -N 141 0B 50 97,-2.2 97,-2.8 -2,-0.4 0, 0.0 -0.920 47.0 -79.2-134.9 159.5 23.9 23.5 93.5 45 64 A S - 0 0 19 -2,-0.3 95,-0.2 95,-0.2 144,-0.1 -0.368 37.6-141.2 -57.2 134.7 21.0 21.9 91.6 46 65 A P > - 0 0 0 0, 0.0 3,-2.0 0, 0.0 4,-0.2 0.733 30.1-175.5 -73.4 -19.1 22.2 21.4 88.0 47 66 A A G > - 0 0 0 87,-1.7 3,-2.1 1,-0.3 4,-0.1 -0.268 67.6 -12.2 54.6-143.5 18.8 22.5 86.7 48 67 A S G > S+ 0 0 7 1,-0.3 3,-1.7 2,-0.2 -1,-0.3 0.537 122.0 80.1 -67.1 -4.3 18.7 22.1 82.9 49 68 A T G X S+ 0 0 0 -3,-2.0 3,-1.4 1,-0.3 -1,-0.3 0.722 80.9 73.4 -70.7 -15.1 22.4 21.6 82.6 50 69 A F G <> S+ 0 0 0 -3,-2.1 4,-2.8 1,-0.3 -1,-0.3 0.653 72.6 82.5 -69.7 -14.4 21.5 18.1 83.7 51 70 A X H <> S+ 0 0 0 -3,-1.7 4,-1.8 1,-0.2 -1,-0.3 0.780 81.6 65.6 -62.2 -22.2 20.1 17.6 80.2 52 71 A I H <> S+ 0 0 0 -3,-1.4 4,-1.0 -4,-0.2 -1,-0.2 0.995 113.8 26.0 -64.9 -60.1 23.6 16.8 79.1 53 72 A P H > S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 3,-0.2 0.883 118.7 61.1 -71.9 -30.7 24.0 13.6 81.1 54 73 A H H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.863 99.8 55.0 -61.8 -35.8 20.3 12.9 81.2 55 74 A T H X S+ 0 0 0 -4,-1.8 4,-2.4 -5,-0.2 -1,-0.2 0.894 107.7 50.3 -64.4 -37.7 20.2 12.7 77.4 56 75 A L H X S+ 0 0 0 -4,-1.0 4,-2.7 -3,-0.2 -2,-0.2 0.930 110.3 49.9 -64.2 -44.7 23.0 10.0 77.7 57 76 A F H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 6,-0.2 0.936 112.6 47.4 -56.7 -49.4 20.9 8.2 80.2 58 77 A A H X>S+ 0 0 0 -4,-2.8 5,-2.3 2,-0.2 6,-1.2 0.872 113.4 46.2 -61.7 -42.3 17.8 8.3 78.0 59 78 A L H <5S+ 0 0 9 -4,-2.4 3,-0.5 3,-0.2 -1,-0.2 0.914 114.4 48.7 -68.2 -41.7 19.7 7.1 74.9 60 79 A D H <5S+ 0 0 61 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.875 114.2 45.4 -65.3 -37.8 21.3 4.3 76.8 61 80 A A H <5S- 0 0 25 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.550 113.1-117.7 -83.2 -8.8 18.0 3.2 78.3 62 81 A G T <5S+ 0 0 47 -4,-0.7 -3,-0.2 -3,-0.5 3,-0.1 0.685 75.8 131.5 80.0 17.5 16.2 3.4 75.0 63 82 A A S S- 0 0 47 101,-0.0 3,-0.9 98,-0.0 23,-0.3 -0.894 70.9 -62.7-164.1-167.2 17.8 9.2 68.1 67 86 A E T 3 S+ 0 0 20 -2,-0.3 23,-0.3 1,-0.2 22,-0.1 0.486 122.7 59.1 -74.4 -2.6 17.6 12.9 67.0 68 87 A F T 3 S+ 0 0 54 20,-0.1 -1,-0.2 21,-0.1 2,-0.2 0.590 74.4 109.0-103.1 -12.1 14.6 12.1 64.7 69 88 A Q < - 0 0 29 -3,-0.9 2,-0.4 1,-0.1 20,-0.4 -0.440 59.0-146.3 -67.9 135.1 12.2 10.8 67.3 70 89 A I - 0 0 84 -2,-0.2 2,-0.5 18,-0.1 18,-0.2 -0.875 6.0-155.2-108.6 135.1 9.3 13.2 68.0 71 90 A F B -O 87 0C 25 16,-3.2 16,-2.6 -2,-0.4 2,-0.3 -0.936 23.4-124.3-109.3 127.3 7.6 13.7 71.3 72 91 A R - 0 0 164 -2,-0.5 2,-0.2 14,-0.2 14,-0.1 -0.560 15.3-128.9 -79.8 129.7 4.1 15.0 71.2 73 92 A W - 0 0 81 -2,-0.3 13,-0.1 1,-0.1 11,-0.1 -0.480 11.1-138.2 -72.2 139.5 3.1 18.2 73.2 74 93 A D - 0 0 92 -2,-0.2 -1,-0.1 2,-0.1 3,-0.1 0.519 41.0-111.0 -78.5 -5.5 -0.0 17.7 75.4 75 94 A G S S+ 0 0 45 1,-0.3 2,-0.4 10,-0.0 -1,-0.1 0.417 71.2 141.2 91.2 -2.6 -1.4 21.1 74.4 76 95 A V - 0 0 77 1,-0.1 2,-1.1 2,-0.0 -1,-0.3 -0.604 54.7-128.3 -77.6 128.6 -0.8 22.6 77.8 77 96 A N + 0 0 119 -2,-0.4 -1,-0.1 1,-0.2 4,-0.1 -0.652 31.5 173.5 -80.3 99.7 0.4 26.2 77.7 78 97 A R - 0 0 81 -2,-1.1 -1,-0.2 2,-0.2 3,-0.1 0.341 56.3-105.5 -87.6 6.9 3.5 26.2 79.9 79 98 A G S S+ 0 0 53 1,-0.1 2,-0.3 2,-0.0 3,-0.1 0.851 90.0 104.3 74.0 34.5 4.2 29.8 79.0 80 99 A F >> - 0 0 99 1,-0.1 4,-2.8 17,-0.0 3,-1.6 -0.855 56.1-157.5-150.1 109.9 7.1 29.0 76.7 81 100 A A T 34 S+ 0 0 86 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.0 0.890 101.0 55.7 -51.9 -41.4 6.8 29.1 72.9 82 101 A G T 34 S+ 0 0 14 1,-0.2 -1,-0.3 -3,-0.1 13,-0.1 0.751 114.9 38.9 -64.4 -23.3 9.8 26.8 72.7 83 102 A H T <4 S+ 0 0 20 -3,-1.6 2,-2.3 1,-0.2 -2,-0.2 0.758 95.4 80.9 -96.4 -32.0 7.9 24.3 75.0 84 103 A N S < S+ 0 0 34 -4,-2.8 2,-0.3 -11,-0.1 -1,-0.2 -0.386 90.0 54.5 -78.1 66.1 4.4 24.6 73.5 85 104 A Q S S- 0 0 95 -2,-2.3 -11,-0.1 -3,-0.1 -10,-0.0 -0.949 97.5 -66.7 179.9 164.2 5.0 22.3 70.6 86 105 A D - 0 0 69 -2,-0.3 2,-0.3 -13,-0.1 -14,-0.2 -0.263 58.1-153.4 -60.9 155.2 6.1 18.9 69.5 87 106 A Q B -O 71 0C 3 -16,-2.6 -16,-3.2 4,-0.0 2,-0.3 -0.945 23.4-165.4-138.3 155.8 9.8 18.3 70.2 88 107 A D > - 0 0 45 -2,-0.3 4,-2.4 -18,-0.2 5,-0.2 -0.716 51.8 -88.4-122.0 176.0 12.9 16.3 69.2 89 108 A L H > S+ 0 0 0 -20,-0.4 4,-2.2 -23,-0.3 5,-0.2 0.883 124.9 51.1 -56.8 -40.1 16.1 16.1 71.2 90 109 A R H > S+ 0 0 27 -23,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.912 112.4 44.3 -67.1 -41.4 17.6 19.2 69.7 91 110 A S H > S+ 0 0 20 2,-0.2 4,-2.3 1,-0.2 6,-0.2 0.897 113.5 52.3 -69.3 -36.6 14.6 21.4 70.3 92 111 A A H <>S+ 0 0 0 -4,-2.4 5,-2.3 2,-0.2 4,-0.4 0.885 114.4 42.5 -64.3 -39.0 14.3 20.0 73.8 93 112 A M H ><5S+ 0 0 4 -4,-2.2 3,-0.8 -5,-0.2 -2,-0.2 0.940 115.6 47.7 -70.7 -51.1 17.9 20.7 74.6 94 113 A R H 3<5S+ 0 0 62 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.827 122.5 34.9 -60.8 -36.2 18.0 24.2 73.0 95 114 A N T 3<5S- 0 0 69 -4,-2.3 -1,-0.2 -5,-0.2 3,-0.2 0.340 103.5-123.1-103.4 5.7 14.8 25.2 74.8 96 115 A S T < 5 - 0 0 20 -3,-0.8 2,-1.7 -4,-0.4 -3,-0.2 0.925 36.7-171.2 50.9 48.3 15.3 23.3 78.1 97 116 A T >>< - 0 0 0 -5,-2.3 3,-1.1 -6,-0.2 4,-0.9 -0.545 5.8-174.6 -75.7 89.1 12.0 21.6 77.5 98 117 A V H 3> S+ 0 0 27 -2,-1.7 4,-1.6 1,-0.2 3,-0.3 0.837 72.5 65.5 -55.7 -40.7 11.7 19.9 80.8 99 118 A W H 3> S+ 0 0 14 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.812 97.9 56.2 -57.9 -28.9 8.5 17.9 80.1 100 119 A V H <> S+ 0 0 0 -3,-1.1 4,-1.4 1,-0.2 3,-0.3 0.941 110.0 44.2 -66.9 -45.3 10.4 15.8 77.5 101 120 A Y H X S+ 0 0 0 -4,-0.9 4,-2.6 -3,-0.3 -1,-0.2 0.713 104.7 62.9 -73.0 -18.6 13.0 14.8 80.1 102 121 A E H X S+ 0 0 82 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.881 102.6 52.2 -70.0 -35.8 10.3 14.1 82.6 103 122 A L H X S+ 0 0 91 -4,-1.3 4,-2.0 -3,-0.3 -2,-0.2 0.924 110.3 47.1 -63.4 -44.5 9.1 11.5 80.2 104 123 A F H X S+ 0 0 2 -4,-1.4 4,-2.9 1,-0.2 5,-0.2 0.923 110.0 53.2 -62.8 -45.3 12.6 10.0 80.1 105 124 A A H X S+ 0 0 16 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.893 107.9 50.8 -57.3 -42.5 12.9 10.1 83.8 106 125 A K H < S+ 0 0 178 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.920 114.2 43.6 -62.8 -44.3 9.7 8.2 84.3 107 126 A E H < S+ 0 0 118 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.867 114.7 49.5 -70.0 -36.9 10.8 5.5 81.8 108 127 A I H < S- 0 0 12 -4,-2.9 4,-0.5 -5,-0.2 -2,-0.2 0.926 100.1-152.7 -68.6 -44.8 14.3 5.3 83.3 109 128 A G X - 0 0 29 -4,-2.7 4,-2.0 -5,-0.2 5,-0.1 0.108 26.1 -83.8 87.3 156.4 13.1 4.9 86.9 110 129 A D H > S+ 0 0 68 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.904 123.1 53.4 -63.8 -45.6 14.7 5.9 90.2 111 130 A D H > S+ 0 0 116 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.931 113.9 41.5 -57.2 -48.6 16.8 2.8 90.6 112 131 A K H > S+ 0 0 66 -4,-0.5 4,-2.7 1,-0.2 -1,-0.2 0.875 111.1 57.1 -68.4 -36.8 18.4 3.0 87.2 113 132 A A H X S+ 0 0 4 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.891 106.7 49.9 -60.8 -39.6 18.8 6.8 87.6 114 133 A R H X S+ 0 0 87 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.915 110.9 48.9 -65.1 -43.3 20.8 6.2 90.7 115 134 A R H X S+ 0 0 135 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.908 112.1 48.4 -63.5 -42.5 23.0 3.6 89.0 116 135 A Y H X S+ 0 0 6 -4,-2.7 4,-1.2 2,-0.2 -2,-0.2 0.933 111.8 48.9 -63.0 -46.8 23.7 6.0 86.0 117 136 A L H <>S+ 0 0 0 -4,-2.4 5,-1.8 1,-0.2 4,-0.3 0.882 112.4 49.4 -61.1 -38.2 24.5 8.9 88.3 118 137 A K H ><5S+ 0 0 138 -4,-2.2 3,-1.0 1,-0.2 -1,-0.2 0.889 105.4 56.6 -69.3 -39.1 26.9 6.7 90.3 119 138 A K H 3<5S+ 0 0 102 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.756 115.3 37.5 -66.7 -23.3 28.6 5.4 87.2 120 139 A I T 3<5S- 0 0 3 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.334 102.9-131.3-107.5 6.4 29.5 8.9 86.1 121 140 A D T < 5 - 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0 0 23 -3,-0.8 2,-1.7 -4,-0.5 -3,-0.2 0.934 36.8-170.9 53.7 48.2 41.6 19.8 52.7 336 116 B T >>< - 0 0 0 -5,-2.2 3,-1.1 -6,-0.2 4,-0.9 -0.551 5.8-175.2 -75.7 88.6 44.9 18.3 53.8 337 117 B V H 3> S+ 0 0 26 -2,-1.7 4,-1.9 1,-0.2 3,-0.3 0.827 72.6 65.4 -56.1 -39.0 45.3 15.7 51.1 338 118 B W H 3> S+ 0 0 23 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.818 97.8 55.9 -59.0 -29.3 48.5 14.1 52.4 339 119 B V H <> S+ 0 0 0 -3,-1.1 4,-1.6 1,-0.2 -1,-0.2 0.924 111.2 43.6 -67.2 -41.6 46.7 12.9 55.5 340 120 B Y H X S+ 0 0 0 -4,-0.9 4,-2.8 -3,-0.3 -2,-0.2 0.748 106.3 60.0 -76.2 -21.4 44.1 11.1 53.3 341 121 B E H X S+ 0 0 86 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.878 105.1 52.3 -68.6 -35.8 46.9 9.8 51.0 342 122 B L H X S+ 0 0 78 -4,-1.5 4,-1.8 -5,-0.2 -2,-0.2 0.925 110.4 45.9 -63.8 -46.1 48.1 8.2 54.2 343 123 B F H X S+ 0 0 1 -4,-1.6 4,-2.9 1,-0.2 5,-0.2 0.924 110.7 53.5 -62.9 -44.7 44.7 6.6 54.8 344 124 B A H X S+ 0 0 25 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.875 107.2 51.9 -58.0 -39.5 44.4 5.5 51.2 345 125 B K H < S+ 0 0 179 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.908 113.9 42.4 -65.1 -43.1 47.8 3.7 51.5 346 126 B E H < S+ 0 0 120 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.878 115.6 49.0 -71.8 -38.4 46.7 1.8 54.6 347 127 B I H < S- 0 0 10 -4,-2.9 4,-0.4 -5,-0.2 -2,-0.2 0.936 101.6-151.0 -66.3 -46.9 43.2 1.0 53.3 348 128 B G X - 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0 0 118 -3,-0.4 2,-0.8 -4,-0.4 -3,-0.2 0.909 32.3-172.3 44.1 55.2 27.6 3.0 45.3 361 141 B Y > < - 0 0 4 -5,-1.9 3,-2.4 -6,-0.1 17,-0.2 -0.680 49.7 -57.8 -82.6 106.9 29.4 6.3 45.3 362 142 B G T 3 S- 0 0 3 -2,-0.8 17,-0.2 1,-0.3 15,-0.1 -0.329 118.6 -19.2 58.0-136.9 29.2 7.8 41.8 363 143 B N T 3 S- 0 0 58 15,-2.3 -1,-0.3 13,-0.1 16,-0.1 0.445 84.3-138.1 -81.4 1.4 30.8 5.4 39.3 364 144 B A < + 0 0 11 -3,-2.4 -2,-0.1 14,-0.3 -7,-0.1 0.826 54.1 141.4 44.7 42.9 32.6 3.8 42.3 365 145 B D + 0 0 50 -4,-0.2 -1,-0.2 13,-0.1 11,-0.2 -0.888 29.3 176.4-119.7 102.7 35.8 3.5 40.3 366 146 B P + 0 0 5 0, 0.0 5,-0.1 0, 0.0 -1,-0.1 0.255 32.8 142.8 -86.1 13.5 39.1 4.1 42.2 367 147 B S 0 0 51 8,-0.1 9,-2.3 4,-0.1 10,-0.4 -0.278 360.0 360.0 -56.8 136.3 41.2 3.3 39.1 368 148 B T 0 0 120 7,-0.2 7,-0.1 8,-0.1 3,-0.1 -0.933 360.0 360.0-159.7 360.0 44.3 5.5 38.9 369 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 370 152 B D >>> 0 0 55 0, 0.0 4,-2.8 0, 0.0 3,-1.9 0.000 360.0 360.0 360.0 105.9 44.9 10.2 44.6 371 153 B Y H 3>5 + 0 0 24 1,-0.3 6,-0.8 3,-0.2 4,-0.6 0.732 360.0 59.7 -60.7 -23.2 42.1 8.4 42.8 372 154 B W H 345S+ 0 0 1 2,-0.1 -84,-1.9 1,-0.1 -1,-0.3 0.507 118.2 27.6 -85.3 -3.5 39.6 11.0 44.1 373 155 B I H <45S+ 0 0 30 -3,-1.9 -2,-0.2 -86,-0.1 -87,-0.1 0.679 140.0 14.0-121.1 -43.6 41.4 13.9 42.5 374 156 B E H <5S+ 0 0 156 -4,-2.8 -3,-0.2 -86,-0.0 -2,-0.1 0.284 109.3 85.4-119.9 9.3 43.2 12.5 39.4 375 157 B G S < - 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