==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 04-FEB-09 3G4P . COMPND 2 MOLECULE: BETA-LACTAMASE OXA-24; . SOURCE 2 ORGANISM_SCIENTIFIC: ACINETOBACTER BAUMANNII; . AUTHOR E.SANTILLANA,A.ROMERO . 244 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11257.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 174 71.3 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 . 44 18.0 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 . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 . 13 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 74 30.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 1 0 1 0 0 1 0 3 1 1 1 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 . 2 0 0 1 1 1 0 0 1 1 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 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 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 32 A H 0 0 237 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 163.6 65.7 32.5 41.4 2 33 A I - 0 0 71 1,-0.1 2,-0.1 2,-0.1 0, 0.0 -0.446 360.0-120.4 -81.1 137.6 67.8 34.0 38.6 3 34 A S > - 0 0 53 -2,-0.2 4,-1.9 1,-0.1 5,-0.2 -0.363 16.6-119.0 -73.7 154.4 66.9 33.2 35.0 4 35 A S H > S+ 0 0 72 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.907 115.8 59.7 -45.9 -46.9 69.2 31.6 32.5 5 36 A Q H > S+ 0 0 155 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.929 105.9 46.3 -60.5 -41.1 68.8 34.7 30.5 6 37 A Q H > S+ 0 0 104 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.886 112.1 49.0 -69.8 -43.1 70.2 36.8 33.3 7 38 A H H X S+ 0 0 30 -4,-1.9 4,-2.8 2,-0.2 5,-0.4 0.941 113.2 48.9 -57.4 -47.9 73.2 34.4 34.0 8 39 A E H X S+ 0 0 99 -4,-3.1 4,-2.3 1,-0.2 28,-0.4 0.920 112.3 48.0 -61.5 -41.2 74.0 34.4 30.4 9 40 A K H X S+ 0 0 158 -4,-2.3 4,-1.9 -5,-0.3 -1,-0.2 0.917 111.8 49.4 -65.0 -47.7 73.8 38.2 30.2 10 41 A A H X S+ 0 0 17 -4,-2.6 4,-1.5 2,-0.2 -2,-0.2 0.941 114.0 43.4 -54.3 -48.7 76.0 38.7 33.2 11 42 A I H X S+ 0 0 0 -4,-2.8 4,-1.2 1,-0.2 -2,-0.2 0.917 110.7 54.7 -77.2 -32.9 78.8 36.4 32.1 12 43 A K H >X S+ 0 0 92 -4,-2.3 4,-1.9 -5,-0.4 3,-0.5 0.939 105.4 56.0 -58.7 -33.5 78.7 37.6 28.6 13 44 A S H 3X S+ 0 0 36 -4,-1.9 4,-3.4 1,-0.3 5,-0.3 0.830 97.0 62.0 -69.1 -37.4 79.2 41.1 30.1 14 45 A Y H 3X S+ 0 0 34 -4,-1.5 4,-0.9 1,-0.2 -1,-0.3 0.865 110.1 41.3 -52.1 -45.3 82.4 40.1 31.9 15 46 A F H <<>S+ 0 0 0 -4,-1.2 5,-1.8 -3,-0.5 -1,-0.2 0.845 113.6 52.3 -67.9 -41.4 83.9 39.3 28.6 16 47 A D H ><5S+ 0 0 72 -4,-1.9 3,-1.6 1,-0.2 -2,-0.2 0.921 107.0 53.4 -62.8 -41.8 82.5 42.5 26.9 17 48 A E H 3<5S+ 0 0 123 -4,-3.4 -1,-0.2 1,-0.3 -2,-0.2 0.848 105.0 54.6 -63.1 -33.9 83.9 44.7 29.7 18 49 A A T 3<5S- 0 0 21 -4,-0.9 -1,-0.3 -5,-0.3 -2,-0.2 0.469 109.4-126.0 -80.7 2.3 87.4 43.2 29.1 19 50 A Q T < 5S+ 0 0 163 -3,-1.6 2,-0.2 1,-0.2 -3,-0.2 0.899 73.1 111.4 51.8 40.2 87.1 44.2 25.4 20 51 A T < - 0 0 3 -5,-1.8 2,-0.4 2,-0.0 -1,-0.2 -0.723 68.3-121.5-130.1 175.2 87.9 40.6 24.4 21 52 A Q + 0 0 68 -2,-0.2 199,-2.5 199,-0.2 2,-0.3 -0.995 50.1 133.3-118.8 133.7 86.1 37.7 22.8 22 53 A G E -A 219 0A 0 -2,-0.4 16,-1.4 197,-0.3 15,-1.1 -0.986 39.3-139.3-169.1 169.2 85.9 34.4 24.8 23 54 A V E -AB 218 36A 0 195,-2.7 195,-2.7 -2,-0.3 2,-0.4 -0.920 7.2-155.2-132.8 150.3 83.8 31.5 26.1 24 55 A I E -AB 217 35A 0 11,-2.7 11,-2.6 -2,-0.3 2,-0.5 -0.978 12.0-158.7-123.9 128.9 83.7 29.7 29.5 25 56 A I E -AB 216 34A 0 191,-2.4 191,-1.8 -2,-0.4 2,-0.4 -0.896 5.6-168.0-101.8 128.6 82.5 26.1 29.6 26 57 A I E -AB 215 33A 4 7,-2.6 7,-3.6 -2,-0.5 2,-0.4 -0.922 4.9-157.8-111.1 142.6 81.2 24.6 32.9 27 58 A K E - B 0 32A 22 187,-2.1 2,-0.4 -2,-0.4 5,-0.2 -0.997 7.6-173.2-125.9 131.1 80.5 20.9 33.2 28 59 A E E > - B 0 31A 96 3,-2.4 3,-2.9 -2,-0.4 2,-0.3 -0.995 69.9 -48.7-126.5 114.0 78.1 19.5 35.9 29 60 A G T 3 S- 0 0 49 -2,-0.4 124,-0.0 183,-0.4 0, 0.0 -0.393 127.2 -21.2 51.5-115.8 78.2 15.8 36.1 30 61 A K T 3 S+ 0 0 204 -2,-0.3 2,-0.5 -3,-0.1 -1,-0.3 0.538 116.5 99.6 -94.3 -5.0 77.9 15.0 32.4 31 62 A N E < -B 28 0A 109 -3,-2.9 -3,-2.4 2,-0.0 2,-0.4 -0.733 56.1-154.2 -97.7 126.1 76.3 18.3 31.2 32 63 A L E -B 27 0A 57 -2,-0.5 2,-0.5 -5,-0.2 -5,-0.2 -0.778 7.7-166.5 -90.9 131.8 78.4 21.0 29.5 33 64 A S E -B 26 0A 35 -7,-3.6 -7,-2.6 -2,-0.4 2,-0.4 -0.986 7.0-152.9-122.4 126.3 77.1 24.7 29.7 34 65 A T E +B 25 0A 52 -2,-0.5 2,-0.3 -9,-0.2 -9,-0.2 -0.829 21.8 164.1-102.7 129.2 78.6 27.3 27.5 35 66 A Y E +B 24 0A 35 -11,-2.6 -11,-2.7 -2,-0.4 2,-0.3 -0.843 26.0 69.6-135.3 168.6 78.7 31.0 28.5 36 67 A G E S-B 23 0A 10 -28,-0.4 -24,-0.2 -2,-0.3 3,-0.2 -0.784 86.6 -64.4 117.6-169.6 80.5 34.2 27.5 37 68 A N S S+ 0 0 39 -15,-1.1 -14,-0.2 -2,-0.3 -1,-0.1 0.290 120.1 42.5-105.8 8.8 80.4 36.6 24.3 38 69 A A > + 0 0 27 -16,-1.4 3,-2.1 -3,-0.2 -1,-0.2 -0.432 60.8 171.5-153.6 76.6 81.6 34.3 21.6 39 70 A L G > S+ 0 0 91 1,-0.3 3,-1.9 -3,-0.2 4,-0.2 0.717 70.7 70.3 -54.6 -33.8 80.1 30.9 22.0 40 71 A A G > S+ 0 0 76 1,-0.3 3,-0.9 2,-0.1 -1,-0.3 0.685 81.1 75.4 -65.7 -13.5 81.3 29.5 18.8 41 72 A R G X S+ 0 0 27 -3,-2.1 3,-1.2 1,-0.2 -1,-0.3 0.679 74.3 89.2 -60.9 -10.0 84.8 29.5 20.2 42 73 A A G < S+ 0 0 7 -3,-1.9 104,-1.7 1,-0.3 -1,-0.2 0.863 99.0 26.7 -70.1 -30.7 83.5 26.3 22.2 43 74 A N G < S+ 0 0 120 -3,-0.9 -1,-0.3 -4,-0.2 2,-0.3 0.288 96.4 110.4-124.3 26.2 84.5 23.9 19.6 44 75 A K < - 0 0 116 -3,-1.2 2,-0.3 -4,-0.2 102,-0.1 -0.723 67.0-118.8 -87.3 143.5 87.4 25.8 17.8 45 76 A E + 0 0 93 -2,-0.3 2,-0.2 99,-0.2 99,-0.2 -0.632 37.6 164.9 -87.4 134.3 91.0 24.5 18.1 46 77 A Y B -F 143 0B 39 97,-2.5 97,-2.1 -2,-0.3 93,-0.0 -0.880 47.7 -86.1-137.4 169.8 93.7 26.7 19.7 47 78 A V - 0 0 2 -2,-0.2 95,-0.2 95,-0.2 144,-0.2 -0.548 33.0-136.4 -78.8 146.7 97.1 26.0 21.0 48 79 A P > - 0 0 0 0, 0.0 3,-2.5 0, 0.0 -1,-0.2 0.596 34.3-177.6 -66.3 -25.5 96.9 24.8 24.7 49 80 A A G > S- 0 0 0 87,-1.9 3,-2.2 1,-0.3 4,-0.2 -0.055 70.8 -7.1 49.1-136.5 99.9 27.0 25.6 50 81 A S G > S+ 0 0 8 1,-0.3 3,-1.4 2,-0.2 -1,-0.3 0.546 120.7 83.6 -68.7 -9.0 100.8 26.4 29.3 51 82 A T G X> S+ 0 0 0 -3,-2.5 3,-1.6 1,-0.2 4,-0.5 0.842 80.9 66.2 -46.4 -40.8 97.6 24.3 29.7 52 83 A F H <> S+ 0 0 0 -3,-2.2 4,-2.6 1,-0.3 3,-0.4 0.681 78.4 81.1 -61.1 -16.4 99.7 21.6 28.4 53 84 A X H <> S+ 0 0 0 -3,-1.4 4,-2.5 1,-0.2 -1,-0.3 0.770 84.8 61.1 -58.9 -32.4 101.9 21.7 31.5 54 85 A M H <> S+ 0 0 1 -3,-1.6 4,-1.6 -4,-0.3 -1,-0.2 0.939 112.7 36.3 -59.9 -43.3 99.3 19.6 33.4 55 86 A L H X S+ 0 0 0 -4,-0.5 4,-2.9 -3,-0.4 -2,-0.2 0.901 113.4 55.4 -78.2 -32.4 99.8 16.8 30.9 56 87 A N H X S+ 0 0 0 -4,-2.6 4,-3.1 1,-0.2 5,-0.2 0.961 109.5 50.3 -66.1 -42.8 103.6 17.3 30.5 57 88 A A H X S+ 0 0 0 -4,-2.5 4,-2.8 -5,-0.2 5,-0.3 0.948 111.0 48.8 -58.1 -45.0 103.9 17.0 34.3 58 89 A L H X S+ 0 0 0 -4,-1.6 4,-2.2 1,-0.2 5,-0.2 0.946 113.7 45.9 -59.2 -49.2 101.7 13.7 34.2 59 90 A I H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.939 114.0 47.7 -63.6 -42.5 103.8 12.3 31.5 60 91 A G H <>S+ 0 0 0 -4,-3.1 5,-2.9 -5,-0.2 6,-0.7 0.900 115.1 44.3 -64.0 -47.1 107.2 13.2 33.1 61 92 A L H ><5S+ 0 0 22 -4,-2.8 3,-1.1 -5,-0.2 -1,-0.2 0.884 115.1 48.3 -62.5 -40.0 106.2 11.8 36.6 62 93 A E H 3<5S+ 0 0 32 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.2 0.900 114.1 46.2 -68.0 -49.3 104.7 8.6 35.1 63 94 A N T 3<5S- 0 0 44 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.138 115.0-114.0 -73.3 12.9 107.7 8.0 32.9 64 95 A H T < 5S+ 0 0 149 -3,-1.1 -3,-0.2 2,-0.2 -4,-0.1 0.818 76.1 132.0 58.2 30.0 110.2 8.7 35.7 65 96 A K S S- 0 0 89 1,-0.1 3,-1.7 -3,-0.0 4,-0.3 -0.973 74.2-135.0-129.6 136.6 110.8 37.0 33.6 82 113 A P G > S+ 0 0 104 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 0.722 104.5 66.7 -53.4 -32.5 113.0 37.5 36.7 83 114 A M G 3 S+ 0 0 104 1,-0.2 3,-0.1 13,-0.1 15,-0.1 0.658 97.4 55.2 -70.2 -16.3 110.7 35.2 38.7 84 115 A W G < S+ 0 0 23 -3,-1.7 2,-1.6 1,-0.2 -1,-0.2 0.534 81.2 90.3 -87.7 -8.0 111.9 32.4 36.4 85 116 A E S < S+ 0 0 54 -3,-1.1 2,-0.3 -4,-0.3 -1,-0.2 -0.346 78.0 77.7 -88.5 69.6 115.6 32.9 37.1 86 117 A K S S- 0 0 86 -2,-1.6 2,-0.4 -3,-0.1 -11,-0.1 -0.887 87.0 -90.1-165.9 161.7 115.6 30.5 40.2 87 118 A D + 0 0 71 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.748 53.0 167.4 -82.8 139.4 115.6 26.8 41.0 88 119 A M B -G 72 0C 0 -16,-2.1 -16,-3.2 -2,-0.4 2,-0.1 -0.996 36.1-118.5-159.2 154.7 112.2 25.2 41.3 89 120 A T > - 0 0 24 -2,-0.3 4,-2.5 -18,-0.2 5,-0.2 -0.346 47.2 -99.9 -83.7 163.2 110.3 22.0 41.5 90 121 A L H > S+ 0 0 0 -23,-0.4 4,-1.5 -20,-0.3 8,-0.1 0.822 125.9 54.1 -51.0 -37.8 107.7 21.1 38.8 91 122 A G H > S+ 0 0 21 -23,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.866 109.1 45.0 -65.5 -44.8 105.0 22.4 41.2 92 123 A E H > S+ 0 0 85 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.881 114.9 50.2 -60.1 -44.5 106.7 25.7 41.7 93 124 A A H <>S+ 0 0 0 -4,-2.5 5,-1.8 2,-0.2 4,-0.3 0.801 106.3 55.6 -65.0 -29.4 107.2 25.9 38.0 94 125 A M H ><5S+ 0 0 3 -4,-1.5 3,-0.6 3,-0.2 -2,-0.2 0.962 111.7 44.0 -67.1 -50.3 103.4 25.0 37.4 95 126 A A H 3<5S+ 0 0 83 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.823 118.0 41.7 -62.6 -37.4 102.4 28.0 39.6 96 127 A L T 3<5S- 0 0 54 -4,-2.0 -1,-0.3 -5,-0.1 3,-0.2 0.447 104.9-129.5 -86.7 0.2 104.9 30.4 38.1 97 128 A S T < 5 - 0 0 24 -3,-0.6 2,-1.7 -4,-0.3 -3,-0.2 0.885 37.2-175.7 49.8 42.2 104.1 29.0 34.6 98 129 A A >>< - 0 0 0 -5,-1.8 3,-1.6 1,-0.2 4,-1.4 -0.388 11.9-170.2 -75.5 88.2 107.9 28.7 34.1 99 130 A V H 3> S+ 0 0 23 -2,-1.7 4,-2.4 1,-0.3 5,-0.3 0.830 77.0 63.1 -50.0 -38.0 108.2 27.5 30.6 100 131 A P H 3> S+ 0 0 24 0, 0.0 4,-1.5 0, 0.0 -1,-0.3 0.808 102.0 49.0 -60.6 -26.1 111.9 26.7 30.8 101 132 A V H <> S+ 0 0 3 -3,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.896 112.3 47.6 -78.4 -32.9 111.5 24.0 33.4 102 133 A Y H X S+ 0 0 0 -4,-1.4 4,-2.4 2,-0.2 -1,-0.2 0.837 108.8 55.5 -81.2 -22.3 108.7 22.3 31.5 103 134 A Q H X S+ 0 0 38 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.899 108.4 49.1 -74.4 -35.5 110.8 22.5 28.2 104 135 A E H X S+ 0 0 75 -4,-1.5 4,-2.2 -5,-0.3 -2,-0.2 0.963 110.3 49.2 -61.6 -52.8 113.6 20.7 30.0 105 136 A L H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 5,-0.2 0.938 111.3 51.1 -51.4 -48.3 111.1 18.1 31.2 106 137 A A H X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 -1,-0.2 0.941 109.4 50.8 -56.7 -46.4 109.8 17.7 27.5 107 138 A R H < S+ 0 0 117 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.876 108.3 51.2 -65.0 -32.0 113.3 17.3 26.4 108 139 A R H < S+ 0 0 78 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.893 111.0 48.3 -66.9 -41.9 114.0 14.5 29.0 109 140 A T H < S- 0 0 9 -4,-2.3 4,-0.4 -5,-0.2 -2,-0.2 0.956 107.6-149.4 -59.5 -46.3 110.8 12.7 27.9 110 141 A G X - 0 0 22 -4,-2.9 4,-2.4 -5,-0.2 5,-0.3 0.233 23.5 -79.5 92.2 149.5 112.0 13.0 24.2 111 142 A L H > S+ 0 0 63 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.893 123.9 49.2 -47.5 -51.0 110.0 13.4 21.0 112 143 A E H > S+ 0 0 148 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.919 116.7 38.8 -65.5 -46.1 109.1 9.7 20.5 113 144 A L H > S+ 0 0 45 -4,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.850 114.9 54.5 -69.8 -37.0 107.8 9.1 24.0 114 145 A M H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.927 108.6 48.7 -61.7 -47.1 106.1 12.4 24.2 115 146 A Q H X S+ 0 0 43 -4,-2.9 4,-2.2 -5,-0.3 -2,-0.2 0.926 112.7 49.3 -61.1 -41.0 104.2 11.7 20.9 116 147 A K H X S+ 0 0 122 -4,-1.9 4,-2.4 -5,-0.2 -1,-0.2 0.863 113.4 44.5 -61.3 -41.9 103.2 8.2 22.2 117 148 A E H X S+ 0 0 16 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.873 111.2 52.3 -76.6 -38.1 101.9 9.5 25.5 118 149 A V H X>S+ 0 0 0 -4,-2.4 5,-1.7 2,-0.2 4,-1.0 0.924 114.5 44.9 -59.1 -45.9 100.0 12.5 23.9 119 150 A K H ><5S+ 0 0 114 -4,-2.2 3,-0.6 -5,-0.2 -2,-0.2 0.933 110.9 53.9 -52.9 -52.9 98.3 9.9 21.6 120 151 A R H 3<5S+ 0 0 108 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.867 113.8 41.5 -55.7 -38.8 97.6 7.5 24.5 121 152 A V H 3<5S- 0 0 19 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.697 102.6-136.9 -83.7 -17.8 95.9 10.2 26.4 122 153 A N T <<5 + 0 0 120 -4,-1.0 2,-0.5 -3,-0.6 -3,-0.2 0.900 33.6 178.0 62.1 45.8 94.1 11.5 23.4 123 154 A F > < - 0 0 4 -5,-1.7 3,-1.9 3,-0.1 -1,-0.2 -0.711 50.7 -49.9 -83.8 120.6 94.8 15.2 24.2 124 155 A G T 3 S- 0 0 6 -2,-0.5 19,-0.3 1,-0.3 17,-0.1 -0.194 121.8 -17.2 62.1-142.1 93.4 17.7 21.5 125 156 A N T 3 S- 0 0 49 17,-2.6 -1,-0.3 2,-0.1 18,-0.1 0.454 86.2-136.0 -76.1 3.0 94.4 16.9 18.0 126 157 A T < + 0 0 20 -3,-1.9 2,-0.6 16,-0.3 -2,-0.1 0.501 60.3 130.9 58.8 7.3 97.0 14.7 19.5 127 158 A N + 0 0 69 13,-0.2 -1,-0.1 15,-0.2 -2,-0.1 -0.805 25.2 168.7-101.8 116.9 99.8 16.0 17.0 128 159 A I > - 0 0 0 -2,-0.6 3,-0.5 1,-0.3 13,-0.2 0.556 27.8-157.0-106.6 -4.6 103.1 17.2 18.4 129 160 A G T 3 - 0 0 24 1,-0.2 -1,-0.3 11,-0.1 -14,-0.1 -0.381 44.3 -49.6 73.2-147.8 105.1 17.5 15.3 130 161 A T T 3 S+ 0 0 110 1,-0.1 2,-0.7 -2,-0.1 -1,-0.2 0.533 112.2 78.8-109.5 -9.1 108.9 17.4 15.2 131 162 A Q X> - 0 0 107 -3,-0.5 3,-1.2 1,-0.1 4,-0.9 -0.869 54.2-170.4-108.1 102.2 109.9 19.9 17.9 132 163 A V T 34 S+ 0 0 24 -2,-0.7 -1,-0.1 1,-0.2 -22,-0.1 0.632 81.3 53.4 -63.4 -16.9 109.6 18.4 21.5 133 164 A D T 34 S+ 0 0 44 1,-0.1 -1,-0.2 -27,-0.1 -27,-0.1 0.396 118.7 22.3-109.9 1.4 110.2 21.7 23.3 134 165 A N T X> S+ 0 0 50 -3,-1.2 4,-2.0 -6,-0.2 3,-1.4 0.398 79.0 110.6-144.8 9.4 107.6 24.1 21.7 135 166 A F H 3X S+ 0 0 1 -4,-0.9 6,-1.2 1,-0.3 4,-0.6 0.711 83.4 50.8 -62.5 -23.7 104.7 22.1 20.2 136 167 A W H 34 S+ 0 0 0 2,-0.1 -87,-1.9 1,-0.1 -1,-0.3 0.610 113.7 47.2 -92.2 -7.5 102.2 23.3 22.9 137 168 A L H <4 S+ 0 0 37 -3,-1.4 56,-0.3 2,-0.2 -2,-0.2 0.806 129.8 11.4 -98.4 -38.8 103.2 27.0 22.3 138 169 A V H < S- 0 0 71 -4,-2.0 -3,-0.2 1,-0.4 -2,-0.1 0.333 109.7-112.4-127.2 9.0 103.2 27.4 18.6 139 170 A G S < S+ 0 0 12 -4,-0.6 -1,-0.4 -5,-0.3 -2,-0.2 -0.212 82.4 129.9 96.1 163.1 101.5 24.3 17.1 140 171 A P S S+ 0 0 46 0, 0.0 -13,-0.2 0, 0.0 2,-0.1 -0.991 89.4 78.4 -90.2 4.6 100.9 21.9 15.8 141 172 A L + 0 0 0 -6,-1.2 2,-0.3 -13,-0.2 -2,-0.2 -0.469 60.8 168.6 -68.3 134.4 99.3 20.7 19.0 142 173 A K - 0 0 66 -95,-0.2 -17,-2.6 -19,-0.2 -16,-0.3 -0.947 15.0-174.7-146.7 155.9 95.7 22.2 19.3 143 174 A I B -F 46 0B 1 -97,-2.1 -97,-2.5 -2,-0.3 -99,-0.1 -0.980 21.8-126.6-154.6 144.4 92.7 21.6 21.5 144 175 A T > - 0 0 12 -2,-0.3 4,-1.7 -99,-0.2 -99,-0.2 -0.622 32.5-109.9 -92.4 159.6 89.1 23.0 21.6 145 176 A P H > S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.708 119.9 56.8 -55.3 -36.6 87.7 24.5 24.9 146 177 A V H > S+ 0 0 21 -104,-1.7 4,-2.1 2,-0.2 5,-0.2 0.954 105.9 47.7 -57.8 -49.2 85.3 21.5 25.1 147 178 A Q H > S+ 0 0 68 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.894 111.6 54.2 -64.3 -38.2 88.2 19.0 25.0 148 179 A E H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.932 108.8 43.7 -62.4 -51.5 89.9 21.1 27.7 149 180 A V H X S+ 0 0 0 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.842 115.8 51.8 -60.2 -34.1 87.0 21.1 30.2 150 181 A N H X S+ 0 0 48 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.920 108.4 49.9 -69.2 -37.1 86.7 17.4 29.4 151 182 A F H X S+ 0 0 11 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.902 112.0 48.0 -61.0 -47.0 90.4 16.9 30.2 152 183 A A H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.819 109.5 53.9 -64.6 -32.3 89.9 18.8 33.5 153 184 A D H X S+ 0 0 7 -4,-1.5 4,-1.5 2,-0.2 -2,-0.2 0.927 110.4 45.9 -68.6 -44.8 86.9 16.6 34.3 154 185 A D H <>S+ 0 0 55 -4,-2.3 5,-3.4 2,-0.2 6,-0.6 0.917 115.7 46.0 -63.0 -44.8 89.0 13.4 33.7 155 186 A L H ><5S+ 0 0 0 -4,-2.3 3,-1.7 1,-0.2 -2,-0.2 0.953 111.1 52.5 -61.9 -53.7 91.9 14.8 35.8 156 187 A A H 3<5S+ 0 0 0 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.816 116.6 38.7 -48.5 -40.0 89.7 15.9 38.6 157 188 A H T 3<5S- 0 0 69 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.240 113.8-113.9-102.4 8.0 88.0 12.5 38.8 158 189 A N T < 5S+ 0 0 39 -3,-1.7 -3,-0.2 -4,-0.2 -4,-0.1 0.819 74.9 131.8 67.7 35.4 91.2 10.5 38.3 159 190 A R < + 0 0 126 -5,-3.4 -4,-0.2 -6,-0.2 -5,-0.1 0.451 31.5 106.5-102.3 -4.4 90.1 9.1 35.0 160 191 A L S S- 0 0 10 -6,-0.6 2,-2.0 1,-0.1 7,-0.1 -0.373 87.3-102.1 -65.6 156.9 93.2 9.8 32.9 161 192 A P S S+ 0 0 60 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.404 88.7 98.5 -82.0 61.7 95.3 6.7 32.1 162 193 A F S S- 0 0 13 -2,-2.0 5,-0.1 -4,-0.1 -103,-0.0 -0.939 86.2 -76.1-137.6 159.6 98.1 7.4 34.7 163 194 A K > - 0 0 110 -2,-0.3 4,-1.9 1,-0.2 5,-0.2 -0.173 42.5-118.4 -53.4 150.4 98.6 5.9 38.3 164 195 A L H > S+ 0 0 113 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.853 116.4 54.2 -58.9 -40.3 96.3 7.4 40.8 165 196 A E H > S+ 0 0 118 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.897 103.7 54.0 -65.6 -43.1 99.3 8.7 42.6 166 197 A T H > S+ 0 0 11 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.952 111.9 46.5 -51.5 -45.5 100.7 10.5 39.5 167 198 A Q H X S+ 0 0 1 -4,-1.9 4,-2.8 1,-0.2 5,-0.2 0.917 110.5 51.5 -69.6 -40.3 97.3 12.3 39.1 168 199 A E H X S+ 0 0 68 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.893 108.2 51.7 -64.0 -35.3 97.1 13.2 42.8 169 200 A E H X S+ 0 0 40 -4,-2.1 4,-1.1 2,-0.2 -2,-0.2 0.926 112.2 46.7 -66.1 -50.3 100.6 14.8 42.7 170 201 A V H >< S+ 0 0 0 -4,-2.2 3,-0.6 -5,-0.2 4,-0.5 0.940 110.2 51.8 -58.6 -43.3 99.7 16.9 39.6 171 202 A K H >< S+ 0 0 12 -4,-2.8 3,-1.3 1,-0.2 4,-0.2 0.855 103.5 58.1 -59.9 -34.0 96.4 18.1 41.1 172 203 A K H >< S+ 0 0 130 -4,-1.8 3,-0.9 1,-0.2 -1,-0.2 0.872 100.2 60.2 -64.9 -28.6 98.2 19.1 44.3 173 204 A M T << S+ 0 0 29 -4,-1.1 -1,-0.2 -3,-0.6 -2,-0.2 0.702 101.0 57.4 -65.6 -14.0 100.3 21.3 41.9 174 205 A L T < + 0 0 1 -3,-1.3 12,-1.9 -4,-0.5 2,-0.6 0.324 60.2 125.7-111.3 5.5 97.2 23.2 40.8 175 206 A L E < +C 185 0A 66 -3,-0.9 10,-0.3 10,-0.2 3,-0.1 -0.580 23.6 160.8 -69.6 110.6 95.5 24.7 43.9 176 207 A I E + 0 0 69 8,-2.6 2,-0.3 -2,-0.6 9,-0.2 0.558 56.0 8.7-110.3 -7.8 95.3 28.4 42.9 177 208 A K E -C 184 0A 90 7,-1.3 7,-3.1 2,-0.0 2,-0.4 -0.961 45.1-155.8-170.3 142.0 92.6 29.7 45.3 178 209 A E E +C 183 0A 118 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.997 20.4 170.0-119.3 137.4 90.3 29.0 48.2 179 210 A V E > -C 182 0A 36 3,-2.6 3,-0.9 -2,-0.4 -2,-0.0 -0.799 67.5 -27.0-151.7 99.6 87.1 31.0 48.6 180 211 A N T 3 S- 0 0 144 -2,-0.3 28,-0.2 1,-0.3 3,-0.1 0.916 124.1 -42.5 66.4 56.0 84.5 30.0 51.2 181 212 A G T 3 S+ 0 0 51 1,-0.2 2,-0.3 26,-0.1 -1,-0.3 0.229 117.9 111.7 76.4 -17.1 85.2 26.3 51.7 182 213 A S E < -C 179 0A 12 -3,-0.9 -3,-2.6 62,-0.2 2,-0.5 -0.712 55.6-152.7 -85.9 139.0 85.5 25.9 47.9 183 214 A K E -CD 178 206A 64 23,-2.7 23,-3.2 -2,-0.3 2,-0.6 -0.952 3.5-152.2-113.0 131.7 89.0 25.1 46.4 184 215 A I E -CD 177 205A 0 -7,-3.1 -8,-2.6 -2,-0.5 -7,-1.3 -0.914 11.8-175.7-105.7 118.2 89.8 26.2 42.8 185 216 A Y E +CD 175 204A 30 19,-2.6 19,-2.9 -2,-0.6 2,-0.3 -0.976 25.3 134.2-109.1 123.9 92.3 24.1 40.9 186 217 A A E - D 0 203A 2 -12,-1.9 2,-0.4 -2,-0.5 17,-0.3 -0.986 43.6-137.7-158.4 163.9 93.4 25.4 37.4 187 218 A K E - D 0 202A 6 15,-2.6 15,-2.3 -2,-0.3 2,-0.1 -1.000 22.6-142.7-123.9 135.5 96.2 26.1 35.1 188 219 A S E - D 0 201A 27 -2,-0.4 2,-0.3 13,-0.2 13,-0.3 -0.328 14.8-166.2 -84.6 174.3 96.4 29.4 33.0 189 220 A G E + D 0 200A 1 11,-1.7 11,-2.4 -139,-0.1 2,-0.3 -0.983 13.3 180.0-162.1 134.4 97.7 29.5 29.5 190 221 A W E - D 0 199A 52 -2,-0.3 2,-1.2 9,-0.2 9,-0.2 -0.798 12.6-160.2-141.3 104.9 98.7 32.4 27.2 191 222 A G E + D 0 198A 1 7,-2.4 7,-1.1 -2,-0.3 3,-0.4 -0.749 21.0 165.7 -87.7 105.0 99.9 31.6 23.8 192 223 A M + 0 0 85 -2,-1.2 -1,-0.2 1,-0.2 5,-0.1 0.583 66.1 64.6 -91.4 -11.1 101.8 34.7 22.8 193 224 A G S S+ 0 0 57 -56,-0.3 2,-0.3 -3,-0.1 -1,-0.2 -0.070 93.7 70.8-108.8 34.4 103.7 33.3 19.8 194 225 A V S S- 0 0 38 -3,-0.4 -55,-0.0 4,-0.0 -56,-0.0 -0.944 88.1-100.0-140.5 150.3 100.5 32.7 17.8 195 226 A T S S+ 0 0 147 -2,-0.3 2,-0.2 2,-0.1 -3,-0.1 -0.983 108.7 27.0-128.3 126.5 98.2 35.2 16.1 196 227 A P S S- 0 0 76 0, 0.0 2,-0.1 0, 0.0 26,-0.1 0.624 103.9-123.5 -70.7 161.9 95.7 36.0 17.4 197 228 A Q E - E 0 221A 35 24,-0.8 24,-1.7 -2,-0.2 2,-0.4 -0.523 22.0-143.8 -76.2 153.7 97.0 35.3 20.9 198 229 A V E -DE 191 220A 3 -7,-1.1 -7,-2.4 22,-0.2 2,-0.3 -0.904 10.1-163.3-123.2 136.6 94.9 32.8 23.0 199 230 A G E -DE 190 219A 0 20,-2.7 20,-2.2 -2,-0.4 2,-0.3 -0.957 12.6-179.9-115.8 147.8 94.3 33.0 26.8 200 231 A W E -DE 189 218A 0 -11,-2.4 -11,-1.7 -2,-0.3 2,-0.3 -0.958 22.7-177.4-144.0 150.1 93.0 29.9 28.9 201 232 A L E +DE 188 217A 2 16,-1.4 16,-2.7 -2,-0.3 2,-0.4 -0.811 23.6 174.4-142.6 102.8 92.2 29.1 32.6 202 233 A T E +DE 187 216A 0 -15,-2.3 -15,-2.6 -2,-0.3 2,-0.3 -0.957 24.5 92.4-114.5 140.8 91.2 25.4 32.8 203 234 A G E -DE 186 215A 0 12,-2.7 12,-2.2 -2,-0.4 2,-0.3 -0.879 58.2 -99.5 175.2-149.8 90.5 23.6 36.1 204 235 A W E -DE 185 214A 1 -19,-2.9 -19,-2.6 10,-0.3 2,-0.4 -0.961 20.2-120.6-163.8 155.0 87.7 22.7 38.4 205 236 A V E -DE 184 213A 0 8,-1.7 8,-2.4 -2,-0.3 2,-0.7 -0.913 18.2-151.3 -97.4 134.3 86.1 23.9 41.7 206 237 A E E -DE 183 212A 58 -23,-3.2 -23,-2.7 -2,-0.4 6,-0.2 -0.947 19.1-149.6-102.8 112.3 86.1 21.4 44.5 207 238 A Q > - 0 0 39 4,-2.8 3,-2.4 -2,-0.7 -25,-0.1 -0.385 27.1-104.5 -80.6 162.0 83.0 22.3 46.6 208 239 A A T 3 S+ 0 0 86 1,-0.3 -1,-0.1 -28,-0.2 -27,-0.1 0.863 121.6 58.8 -59.9 -36.9 83.0 21.7 50.4 209 240 A N T 3 S- 0 0 125 1,-0.1 -1,-0.3 2,-0.1 -2,-0.1 0.282 122.6-105.7 -65.8 7.8 80.7 18.7 49.9 210 241 A G S < S+ 0 0 40 -3,-2.4 2,-0.2 1,-0.3 -2,-0.1 0.379 74.9 139.7 80.6 -6.8 83.4 17.1 47.7 211 242 A K - 0 0 93 -5,-0.1 -4,-2.8 1,-0.0 2,-0.5 -0.503 42.8-143.8 -67.6 139.7 81.5 17.7 44.4 212 243 A K E - E 0 206A 45 -6,-0.2 -183,-0.4 -2,-0.2 -6,-0.2 -0.912 13.7-169.9-111.8 127.7 83.8 18.8 41.4 213 244 A I E - E 0 205A 2 -8,-2.4 -8,-1.7 -2,-0.5 -185,-0.1 -0.899 14.6-155.1-116.1 96.9 82.7 21.4 38.8 214 245 A P E + E 0 204A 1 0, 0.0 -187,-2.1 0, 0.0 2,-0.3 -0.308 16.5 177.6 -65.8 151.5 85.2 21.5 35.8 215 246 A F E -AE 26 203A 0 -12,-2.2 -12,-2.7 -189,-0.2 2,-0.3 -0.977 19.5-162.9-150.3 148.1 85.5 24.7 33.7 216 247 A S E -AE 25 202A 0 -191,-1.8 -191,-2.4 -2,-0.3 2,-0.4 -0.898 7.7-164.5-134.0 119.2 87.6 26.0 30.8 217 248 A L E -AE 24 201A 0 -16,-2.7 -16,-1.4 -2,-0.3 2,-0.4 -0.807 11.6-179.9 -89.1 144.2 87.8 29.7 30.0 218 249 A N E +AE 23 200A 0 -195,-2.7 -195,-2.7 -2,-0.4 2,-0.3 -0.988 10.1 156.2-150.3 121.4 89.2 30.5 26.6 219 250 A L E -AE 22 199A 0 -20,-2.2 -20,-2.7 -2,-0.4 2,-0.5 -0.973 46.2 -95.8-143.9 166.1 89.6 34.1 25.2 220 251 A E E - E 0 198A 42 -199,-2.5 2,-0.4 -2,-0.3 -22,-0.2 -0.725 38.4-149.0 -86.9 123.5 91.5 36.2 22.8 221 252 A M E - E 0 197A 4 -24,-1.7 -24,-0.8 -2,-0.5 2,-0.5 -0.773 12.3-159.0 -92.3 144.5 94.5 37.9 24.5 222 253 A K > - 0 0 69 -2,-0.4 3,-2.3 -26,-0.1 -24,-0.0 -0.991 32.4 -86.1-128.0 122.9 95.5 41.3 23.1 223 254 A E T 3 S+ 0 0 169 -2,-0.5 3,-0.1 1,-0.3 -1,-0.0 0.073 116.8 17.5 -6.8 112.3 98.8 43.2 23.4 224 255 A G T 3 S+ 0 0 82 1,-0.3 -1,-0.3 -3,-0.0 2,-0.2 0.450 91.4 127.9 81.4 3.2 98.8 45.1 26.8 225 256 A M < - 0 0 35 -3,-2.3 -1,-0.3 1,-0.1 2,-0.3 -0.606 62.7-113.9 -81.8 147.4 95.9 43.2 28.4 226 257 A S > - 0 0 65 -2,-0.2 3,-1.4 1,-0.1 4,-0.2 -0.670 9.3-132.4 -86.7 149.0 96.7 41.8 31.9 227 258 A G T >> S+ 0 0 15 -2,-0.3 3,-1.4 1,-0.3 4,-0.6 0.768 101.1 69.0 -69.0 -29.3 97.0 38.1 32.6 228 259 A S H 3> S+ 0 0 52 1,-0.2 4,-2.8 2,-0.2 -1,-0.3 0.555 77.9 81.0 -70.5 -4.9 94.8 38.3 35.7 229 260 A I H <> S+ 0 0 30 -3,-1.4 4,-2.7 2,-0.2 5,-0.3 0.839 87.9 57.4 -65.5 -27.7 91.7 39.1 33.5 230 261 A R H <> S+ 0 0 25 -3,-1.4 4,-1.5 -4,-0.2 -1,-0.2 0.945 112.0 41.2 -66.5 -47.8 91.5 35.2 32.9 231 262 A N H X S+ 0 0 35 -4,-0.6 4,-2.9 2,-0.2 5,-0.3 0.943 114.8 51.6 -61.1 -50.7 91.3 34.8 36.6 232 263 A E H X S+ 0 0 98 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.916 112.3 43.3 -60.0 -48.2 88.9 37.7 37.1 233 264 A I H X S+ 0 0 1 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.874 114.0 53.2 -64.4 -34.2 86.4 36.7 34.5 234 265 A T H X S+ 0 0 0 -4,-1.5 4,-2.6 -5,-0.3 -2,-0.2 0.940 111.5 43.5 -67.3 -47.6 86.6 33.1 35.7 235 266 A Y H X S+ 0 0 42 -4,-2.9 4,-2.1 1,-0.2 5,-0.2 0.862 113.7 51.2 -68.3 -37.5 85.9 33.9 39.4 236 267 A K H X S+ 0 0 70 -4,-2.1 4,-2.9 -5,-0.3 -1,-0.2 0.899 112.3 47.6 -62.4 -43.6 83.1 36.4 38.5 237 268 A S H X S+ 0 0 0 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.900 113.1 46.8 -61.3 -49.9 81.5 33.7 36.2 238 269 A L H <>S+ 0 0 0 -4,-2.6 5,-2.6 2,-0.2 6,-1.1 0.865 115.2 45.9 -62.9 -39.4 81.7 31.0 38.8 239 270 A E H ><5S+ 0 0 130 -4,-2.1 3,-2.5 5,-0.2 -2,-0.2 0.944 108.6 56.2 -71.0 -41.4 80.3 33.2 41.6 240 271 A N H 3<5S+ 0 0 33 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.881 111.6 44.6 -52.1 -40.2 77.5 34.5 39.3 241 272 A L T 3<5S- 0 0 36 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.382 116.0-116.7 -86.9 4.9 76.4 30.9 38.8 242 273 A G T < 5S+ 0 0 54 -3,-2.5 -3,-0.2 -5,-0.1 -2,-0.1 0.688 79.5 125.3 64.9 21.4 76.7 30.1 42.5 243 274 A I < 0 0 8 -5,-2.6 -4,-0.2 -6,-0.2 -5,-0.1 0.806 360.0 360.0 -78.5 -31.6 79.5 27.5 41.9 244 275 A I 0 0 42 -6,-1.1 -5,-0.2 -9,-0.1 -62,-0.2 0.388 360.0 360.0-129.2 360.0 81.7 29.4 44.4