==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-JUN-12 4FOT . COMPND 2 MOLECULE: PEPTIDYL-TRNA HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ACINETOBACTER BAUMANNII; . AUTHOR S.YAMINI,S.KAUSHIK,M.SINHA,P.KAUR,S.SHARMA,T.P.SINGH . 193 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8923.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 140 72.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 8.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 21 10.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 1 0.5 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 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 15.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 50 25.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.1 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 2 0 0 0 1 1 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 1 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 PARALLEL BRIDGES PER LADDER . 1 0 1 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 1 A M 0 0 149 0, 0.0 179,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 121.6 -19.1 24.3 -34.8 2 2 A S - 0 0 53 1,-0.1 176,-0.1 177,-0.1 2,-0.1 -0.053 360.0-115.9 -46.7 135.7 -17.2 25.7 -31.8 3 3 A N - 0 0 66 174,-0.1 2,-0.8 173,-0.1 173,-0.2 -0.430 34.3-111.0 -61.1 142.0 -13.7 24.5 -30.8 4 4 A I + 0 0 1 171,-2.1 86,-0.2 168,-0.2 85,-0.1 -0.825 47.9 164.1 -75.8 118.9 -13.6 22.7 -27.4 5 5 A S + 0 0 37 84,-1.9 56,-2.8 -2,-0.8 2,-0.4 0.454 58.2 48.8-111.7 -3.9 -11.7 25.2 -25.3 6 6 A L E -ab 61 90A 0 83,-2.0 85,-3.0 54,-0.2 2,-0.5 -0.980 60.1-171.4-138.2 123.0 -12.5 24.0 -21.7 7 7 A I E -ab 62 91A 0 54,-2.9 56,-2.4 -2,-0.4 2,-0.4 -0.967 7.3-169.9-118.6 120.3 -12.2 20.4 -20.6 8 8 A V E -ab 63 92A 0 83,-3.3 85,-2.8 -2,-0.5 2,-0.5 -0.827 8.3-158.8-109.2 137.3 -13.6 19.5 -17.1 9 9 A G E - b 0 93A 0 54,-2.8 2,-0.3 -2,-0.4 85,-0.2 -0.987 14.8-145.6-114.8 131.6 -13.1 16.2 -15.4 10 10 A L + 0 0 0 83,-2.4 16,-1.2 -2,-0.5 15,-0.5 -0.619 42.3 108.0 -95.5 143.7 -15.7 15.3 -12.6 11 11 A G - 0 0 0 -2,-0.3 57,-0.3 14,-0.2 12,-0.2 -0.979 61.4 -76.2 176.8-171.8 -14.7 13.4 -9.5 12 12 A N - 0 0 12 -2,-0.3 2,-0.1 5,-0.2 8,-0.1 -0.899 40.8-116.5-110.7 148.3 -14.1 13.6 -5.7 13 13 A P + 0 0 14 0, 0.0 3,-0.1 0, 0.0 56,-0.1 -0.389 68.9 55.9 -74.9 149.1 -11.0 15.1 -4.0 14 14 A G S >> S- 0 0 36 1,-0.1 3,-1.5 2,-0.1 4,-1.1 0.046 84.7 -92.8 109.9 148.9 -8.7 13.0 -1.8 15 15 A S T 34 S+ 0 0 109 1,-0.3 4,-0.5 2,-0.2 -1,-0.1 0.786 119.0 62.9 -71.0 -21.3 -6.7 9.9 -2.1 16 16 A E T 34 S+ 0 0 123 1,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.688 112.6 39.6 -70.2 -18.7 -9.5 7.6 -0.8 17 17 A Y T X4 S+ 0 0 63 -3,-1.5 3,-1.8 1,-0.1 6,-0.3 0.687 89.8 90.8 -98.7 -14.5 -11.4 8.7 -4.0 18 18 A A T 3< S+ 0 0 43 -4,-1.1 -2,-0.1 1,-0.3 -3,-0.1 0.738 94.7 35.8 -61.5 -35.9 -8.7 8.8 -6.6 19 19 A Q T 3 S+ 0 0 107 -4,-0.5 134,-0.6 131,-0.1 -1,-0.3 0.417 92.9 111.5 -97.0 2.8 -9.0 5.2 -7.9 20 20 A T B X S-G 152 0B 9 -3,-1.8 3,-2.6 132,-0.2 132,-0.3 -0.458 78.3-116.4 -77.4 150.5 -12.9 4.9 -7.5 21 21 A R G > S+ 0 0 22 130,-2.4 3,-1.8 127,-0.5 129,-0.2 0.755 111.5 68.8 -56.1 -32.9 -15.0 4.7 -10.6 22 22 A H G 3 S+ 0 0 17 127,-2.7 73,-0.3 1,-0.3 3,-0.3 0.608 93.4 60.5 -62.1 -14.5 -16.7 8.0 -9.8 23 23 A N G <> + 0 0 3 -3,-2.6 4,-2.1 -6,-0.3 3,-0.4 0.220 65.5 116.8-101.0 13.7 -13.3 9.7 -10.6 24 24 A A H <> S+ 0 0 0 -3,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.868 76.5 52.7 -47.4 -43.2 -13.3 8.4 -14.3 25 25 A G H > S+ 0 0 0 -15,-0.5 4,-2.5 -3,-0.3 -1,-0.2 0.881 106.5 51.4 -62.3 -46.0 -13.4 12.1 -15.5 26 26 A F H > S+ 0 0 12 -16,-1.2 4,-2.8 -3,-0.4 5,-0.3 0.894 107.1 54.5 -57.8 -44.6 -10.4 13.1 -13.3 27 27 A W H X S+ 0 0 21 -4,-2.1 4,-2.1 2,-0.2 5,-0.2 0.950 110.5 45.7 -55.2 -49.7 -8.4 10.2 -14.8 28 28 A F H X S+ 0 0 1 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.962 116.3 43.5 -59.7 -50.8 -9.1 11.4 -18.3 29 29 A V H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.917 114.4 50.6 -67.9 -40.2 -8.3 15.1 -17.6 30 30 A E H X S+ 0 0 98 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.864 112.6 45.4 -60.2 -43.0 -5.2 14.2 -15.5 31 31 A Q H X S+ 0 0 71 -4,-2.1 4,-2.1 -5,-0.3 -1,-0.2 0.839 112.8 52.0 -68.8 -34.4 -3.8 12.0 -18.2 32 32 A L H X S+ 0 0 0 -4,-2.1 4,-1.7 -5,-0.2 -2,-0.2 0.896 107.7 52.2 -65.2 -44.9 -4.6 14.6 -20.8 33 33 A A H <>S+ 0 0 2 -4,-2.4 5,-3.7 1,-0.2 4,-0.4 0.921 114.0 41.6 -60.4 -48.5 -2.8 17.4 -18.9 34 34 A D H ><5S+ 0 0 138 -4,-1.8 3,-0.8 3,-0.2 -1,-0.2 0.858 106.3 63.0 -70.8 -32.5 0.4 15.4 -18.6 35 35 A K H 3<5S+ 0 0 119 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.895 117.5 30.3 -54.3 -42.0 0.2 14.1 -22.2 36 36 A Y T 3<5S- 0 0 51 -4,-1.7 -1,-0.2 -3,-0.2 -2,-0.2 0.263 113.9-112.1-101.0 6.0 0.5 17.8 -23.2 37 37 A G T < 5 + 0 0 60 -3,-0.8 2,-0.5 -4,-0.4 -3,-0.2 0.867 61.4 154.1 66.0 39.9 2.6 19.1 -20.4 38 38 A I < - 0 0 11 -5,-3.7 2,-0.5 -6,-0.2 -1,-0.2 -0.852 39.5-134.8-101.8 132.7 -0.1 21.2 -18.9 39 39 A T - 0 0 92 -2,-0.5 2,-0.6 13,-0.3 13,-0.4 -0.762 8.1-146.1 -90.5 125.1 0.4 21.8 -15.2 40 40 A L - 0 0 45 -2,-0.5 2,-0.3 11,-0.1 11,-0.2 -0.840 26.2-176.8 -89.7 121.4 -2.8 21.4 -13.0 41 41 A K E -C 50 0A 142 9,-3.4 9,-3.0 -2,-0.6 7,-0.1 -0.904 35.4 -91.1-119.9 151.3 -2.5 24.0 -10.0 42 42 A N E -C 49 0A 137 -2,-0.3 7,-0.2 7,-0.2 3,-0.1 -0.290 38.0-175.4 -55.1 135.2 -4.8 24.7 -7.0 43 43 A D E > > +C 48 0A 26 5,-2.5 5,-1.6 1,-0.1 3,-1.4 -0.662 8.1 173.1-139.8 71.3 -7.2 27.4 -8.0 44 44 A P G > 5S+ 0 0 104 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.779 72.9 69.7 -59.4 -29.7 -9.0 28.2 -4.8 45 45 A K G 3 5S+ 0 0 133 1,-0.3 -3,-0.0 2,-0.1 -2,-0.0 0.890 112.1 30.7 -55.1 -37.8 -10.9 31.1 -6.3 46 46 A F G < 5S- 0 0 8 -3,-1.4 -1,-0.3 2,-0.2 20,-0.2 0.129 111.8-115.8-110.6 23.3 -12.8 28.5 -8.4 47 47 A H T < 5S+ 0 0 96 -3,-1.3 19,-2.6 1,-0.2 2,-0.3 0.869 82.5 76.8 51.0 43.9 -12.8 25.7 -5.9 48 48 A G E S- D 0 58A 0 3,-3.1 3,-1.4 -2,-0.4 -2,-0.0 -0.947 75.9 -31.5-126.7 109.4 -3.1 21.3 -27.0 56 56 A E T 3 S- 0 0 65 -2,-0.5 3,-0.1 1,-0.3 -1,-0.1 0.844 128.8 -40.4 50.1 38.7 -2.6 20.6 -30.8 57 57 A G T 3 S+ 0 0 56 1,-0.3 2,-0.3 120,-0.0 -1,-0.3 0.474 119.7 102.0 96.9 4.7 -2.4 24.3 -31.7 58 58 A H E < S- D 0 55A 55 -3,-1.4 -3,-3.1 -5,-0.0 2,-0.7 -0.902 72.9-121.3-125.0 149.6 -5.1 25.6 -29.4 59 59 A D E - D 0 54A 88 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.786 42.4-178.4 -86.2 111.6 -5.2 27.3 -26.0 60 60 A V E - D 0 53A 0 -7,-2.8 -7,-1.7 -2,-0.7 2,-0.3 -0.960 21.1-146.1-122.2 133.6 -7.2 25.0 -23.8 61 61 A R E -aD 6 52A 63 -56,-2.8 -54,-2.9 -2,-0.4 2,-0.4 -0.789 12.9-158.8 -93.6 139.8 -8.3 25.3 -20.2 62 62 A L E -aD 7 51A 0 -11,-2.3 -11,-1.8 -2,-0.3 2,-0.4 -0.970 9.3-171.9-116.3 138.4 -8.5 22.2 -17.9 63 63 A L E -aD 8 50A 0 -56,-2.4 -54,-2.8 -2,-0.4 -13,-0.2 -0.984 18.5-179.7-139.9 127.7 -10.6 22.0 -14.8 64 64 A L E - D 0 49A 2 -15,-2.9 -15,-2.9 -2,-0.4 -54,-0.1 -0.969 30.2-138.5-117.1 109.1 -11.0 19.4 -11.9 65 65 A P E - D 0 48A 0 0, 0.0 -17,-0.3 0, 0.0 3,-0.2 -0.461 12.1-163.7 -67.8 146.2 -13.5 20.7 -9.4 66 66 A M + 0 0 68 -19,-2.6 -18,-0.2 -20,-0.2 -19,-0.1 -0.048 66.2 97.8-113.6 24.3 -12.5 20.2 -5.8 67 67 A T S S- 0 0 16 1,-0.2 -1,-0.1 -20,-0.2 2,-0.1 0.506 99.2 -97.3 -87.3 -10.4 -16.0 20.8 -4.4 68 68 A Y > - 0 0 111 -57,-0.3 3,-1.4 -3,-0.2 -1,-0.2 0.117 47.3 -79.1 82.3 152.3 -16.9 17.1 -4.2 69 69 A M G > S+ 0 0 2 1,-0.3 3,-2.2 2,-0.2 51,-0.2 0.872 126.9 51.4 -49.9 -50.7 -18.9 15.5 -7.0 70 70 A N G 3 S+ 0 0 92 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.602 112.8 47.0 -75.6 -10.3 -22.4 16.7 -6.1 71 71 A R G X S+ 0 0 144 -3,-1.4 3,-2.2 1,-0.1 4,-0.3 0.180 71.9 123.6-108.6 19.5 -21.3 20.3 -5.8 72 72 A S T X> + 0 0 0 -3,-2.2 4,-2.6 1,-0.3 3,-1.4 0.714 64.3 67.3 -56.2 -32.2 -19.3 20.4 -9.1 73 73 A G H 3> S+ 0 0 4 1,-0.3 4,-2.1 2,-0.2 -1,-0.3 0.749 86.7 68.6 -59.7 -28.1 -21.3 23.4 -10.4 74 74 A Q H <4 S+ 0 0 107 -3,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.681 113.4 30.8 -69.5 -14.9 -19.8 25.6 -7.7 75 75 A S H <> S+ 0 0 0 -3,-1.4 4,-1.1 -4,-0.3 -2,-0.2 0.776 122.9 45.5-104.6 -41.7 -16.5 25.2 -9.5 76 76 A V H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 5,-0.3 0.913 109.6 53.3 -64.4 -48.6 -17.6 24.8 -13.1 77 77 A V H X S+ 0 0 20 -4,-2.1 4,-2.2 1,-0.2 5,-0.2 0.977 113.7 37.2 -60.4 -58.3 -20.2 27.6 -13.3 78 78 A P H > S+ 0 0 51 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.839 115.5 56.1 -66.9 -29.0 -18.1 30.6 -12.0 79 79 A F H X S+ 0 0 1 -4,-1.1 4,-2.2 2,-0.2 -2,-0.2 0.951 111.4 40.3 -64.2 -49.5 -15.0 29.4 -13.8 80 80 A S H <>S+ 0 0 2 -4,-2.3 5,-3.1 2,-0.2 -1,-0.2 0.843 117.7 50.6 -71.9 -27.9 -16.6 29.3 -17.3 81 81 A K H ><5S+ 0 0 127 -4,-2.2 3,-1.0 -5,-0.3 -2,-0.2 0.918 108.9 51.3 -70.1 -44.6 -18.5 32.6 -16.6 82 82 A F H 3<5S+ 0 0 115 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.913 117.2 37.5 -61.4 -46.8 -15.3 34.3 -15.5 83 83 A Y T 3<5S- 0 0 77 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.360 110.5-124.4 -83.6 5.0 -13.4 33.3 -18.6 84 84 A Q T < 5 + 0 0 180 -3,-1.0 2,-0.6 1,-0.2 -3,-0.2 0.910 49.3 165.9 53.1 47.7 -16.6 33.8 -20.7 85 85 A I < - 0 0 20 -5,-3.1 -1,-0.2 -6,-0.1 -2,-0.1 -0.894 31.9-134.6 -95.2 116.3 -16.5 30.2 -22.2 86 86 A A > - 0 0 48 -2,-0.6 3,-1.9 1,-0.1 4,-0.1 -0.479 19.4-117.7 -69.0 149.2 -19.8 29.2 -23.8 87 87 A P G > S+ 0 0 28 0, 0.0 3,-2.0 0, 0.0 43,-0.5 0.823 115.6 65.9 -57.3 -31.2 -21.2 25.8 -22.9 88 88 A E G 3 S+ 0 0 84 1,-0.3 41,-0.1 41,-0.2 42,-0.1 0.775 100.4 50.8 -64.2 -21.2 -20.8 24.9 -26.6 89 89 A A G < S+ 0 0 9 -3,-1.9 -83,-2.0 -85,-0.1 -84,-1.9 0.234 97.0 96.3 -93.0 10.7 -17.0 25.2 -26.1 90 90 A I E < -b 6 0A 0 -3,-2.0 40,-2.7 38,-0.2 2,-0.4 -0.900 50.9-168.7-112.1 136.4 -17.0 22.9 -23.0 91 91 A L E -be 7 130A 0 -85,-3.0 -83,-3.3 -2,-0.4 2,-0.6 -0.969 7.3-165.2-117.2 126.9 -16.3 19.2 -22.7 92 92 A I E -be 8 131A 0 38,-2.2 40,-2.2 -2,-0.4 2,-0.4 -0.960 4.7-157.1-118.1 113.6 -17.1 17.4 -19.4 93 93 A A E +be 9 132A 0 -85,-2.8 -83,-2.4 -2,-0.6 2,-0.3 -0.700 27.9 152.6 -84.8 135.0 -15.7 14.0 -18.8 94 94 A H E - e 0 133A 2 38,-2.6 40,-2.7 -2,-0.4 2,-0.1 -0.988 46.9 -88.8-159.3 159.8 -17.6 11.7 -16.3 95 95 A D E - e 0 134A 2 -73,-0.3 2,-0.5 -2,-0.3 40,-0.2 -0.409 35.1-154.5 -70.6 144.4 -18.4 8.2 -15.3 96 96 A E E > - e 0 135A 11 38,-2.5 40,-2.3 3,-0.2 3,-1.0 -0.974 11.8-169.0-129.5 109.6 -21.4 6.7 -17.0 97 97 A L T 3 S+ 0 0 41 -2,-0.5 -1,-0.1 1,-0.2 38,-0.1 0.820 85.1 64.9 -62.3 -37.9 -23.2 3.9 -15.1 98 98 A D T 3 S+ 0 0 116 39,-0.1 2,-0.4 38,-0.1 -1,-0.2 0.354 96.7 62.1 -77.5 8.6 -25.3 3.1 -18.2 99 99 A M S < S- 0 0 27 -3,-1.0 38,-3.1 35,-0.1 37,-0.8 -0.983 83.8-116.4-132.7 151.8 -22.3 1.9 -20.2 100 100 A N > - 0 0 109 -2,-0.4 3,-2.1 35,-0.2 35,-0.3 -0.403 44.3 -80.0 -80.8 156.4 -19.9 -1.0 -19.6 101 101 A P T 3 S+ 0 0 18 0, 0.0 35,-0.2 0, 0.0 -1,-0.2 -0.329 122.8 32.1 -52.2 132.6 -16.2 -0.7 -18.9 102 102 A G T 3 S+ 0 0 0 33,-0.5 2,-0.4 1,-0.4 34,-0.1 0.352 96.0 109.7 97.3 -4.3 -14.5 -0.2 -22.3 103 103 A V < + 0 0 46 -3,-2.1 32,-2.6 32,-0.1 -1,-0.4 -0.872 41.9 171.5-100.4 133.6 -17.5 1.7 -23.7 104 104 A I E -F 134 0A 0 -2,-0.4 2,-0.3 86,-0.3 86,-0.3 -0.978 5.7-179.2-145.2 136.2 -17.0 5.4 -24.3 105 105 A R E -F 133 0A 90 28,-1.8 28,-2.5 -2,-0.3 2,-0.4 -0.981 22.9-142.1-138.7 143.8 -19.2 8.0 -26.0 106 106 A L E +F 132 0A 3 -2,-0.3 2,-0.3 78,-0.3 26,-0.2 -0.909 30.1 178.6 -99.4 132.7 -19.2 11.6 -26.9 107 107 A K E -F 131 0A 71 24,-2.2 24,-2.6 -2,-0.4 2,-0.4 -0.981 18.7-151.7-137.8 145.4 -22.7 13.3 -26.5 108 108 A T E -F 130 0A 60 -2,-0.3 22,-0.2 22,-0.2 20,-0.1 -0.961 62.4 -13.8-117.2 134.9 -23.8 16.9 -27.0 109 109 A G S S+ 0 0 9 20,-1.6 19,-0.1 -2,-0.4 2,-0.1 -0.069 75.2 112.3 69.4-173.0 -26.8 18.2 -25.0 110 110 A G - 0 0 38 -3,-0.0 19,-0.1 2,-0.0 -1,-0.1 -0.366 67.1 -71.4 93.8 178.8 -29.4 16.2 -23.0 111 111 A G - 0 0 45 -2,-0.1 8,-0.0 1,-0.0 7,-0.0 0.024 54.7 -82.4 -94.1-151.2 -29.9 16.2 -19.2 112 112 A H > - 0 0 62 7,-0.1 3,-1.4 6,-0.1 6,-0.2 0.734 45.0-143.4 -93.2 -21.4 -27.9 14.7 -16.4 113 113 A G T 3 S- 0 0 66 1,-0.3 3,-0.1 5,-0.1 -3,-0.0 0.767 71.9 -52.2 66.5 28.7 -29.2 11.2 -16.7 114 114 A G T 3 S+ 0 0 42 1,-0.3 2,-0.5 2,-0.0 -1,-0.3 0.376 101.0 140.8 91.8 -9.9 -29.2 10.6 -13.0 115 115 A H <> - 0 0 19 -3,-1.4 4,-2.5 1,-0.1 -1,-0.3 -0.592 44.2-152.5 -76.8 119.2 -25.5 11.7 -12.7 116 116 A N T 4 S+ 0 0 66 -2,-0.5 4,-0.5 1,-0.2 -1,-0.1 0.716 91.9 51.8 -73.5 -19.9 -25.1 13.8 -9.6 117 117 A G T >4 S+ 0 0 0 2,-0.2 3,-1.0 1,-0.1 -1,-0.2 0.917 113.1 43.7 -72.4 -49.9 -22.2 15.9 -10.8 118 118 A L G >> S+ 0 0 3 1,-0.2 4,-2.5 -6,-0.2 3,-2.0 0.883 105.7 64.8 -61.2 -34.8 -24.0 16.9 -14.1 119 119 A R G 3< S+ 0 0 114 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.826 101.6 50.1 -54.5 -32.6 -27.2 17.5 -12.0 120 120 A D G <4 S+ 0 0 42 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.438 118.2 38.3 -87.7 0.8 -25.3 20.4 -10.3 121 121 A I T X> S+ 0 0 0 -3,-2.0 4,-1.8 -4,-0.2 3,-1.1 0.749 99.4 64.8-121.6 -40.3 -24.2 21.9 -13.6 122 122 A V H 3X S+ 0 0 26 -4,-2.5 4,-2.0 1,-0.2 -3,-0.1 0.897 98.0 61.1 -55.8 -38.0 -27.0 21.7 -16.2 123 123 A P H 34 S+ 0 0 90 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.772 112.1 36.1 -61.7 -24.3 -29.2 24.0 -14.1 124 124 A H H <4 S+ 0 0 98 -3,-1.1 -2,-0.2 2,-0.1 -3,-0.1 0.771 130.2 23.2-108.6 -29.2 -26.8 26.8 -14.3 125 125 A I H < S- 0 0 25 -4,-1.8 3,-0.3 1,-0.2 -3,-0.2 0.408 105.3-119.3-113.3 -0.1 -25.2 26.8 -17.8 126 126 A G < - 0 0 24 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.1 -0.100 37.0 -71.8 86.4 177.3 -27.9 24.8 -19.6 127 127 A P S S+ 0 0 51 0, 0.0 2,-1.7 0, 0.0 -18,-0.4 0.430 95.9 106.2 -88.9 -1.8 -27.6 21.5 -21.4 128 128 A N + 0 0 80 -3,-0.3 2,-0.3 -19,-0.1 -38,-0.2 -0.491 53.0 99.2 -85.3 66.3 -25.5 22.6 -24.4 129 129 A F S S- 0 0 0 -2,-1.7 -20,-1.6 -19,-0.1 2,-0.2 -0.942 73.5-106.7-137.0 162.2 -22.1 21.3 -23.5 130 130 A H E -eF 91 108A 6 -40,-2.7 -38,-2.2 -43,-0.5 2,-0.4 -0.588 30.1-159.9 -88.3 149.0 -20.3 18.1 -24.7 131 131 A R E -eF 92 107A 3 -24,-2.6 -24,-2.2 -40,-0.3 2,-0.7 -0.983 14.1-148.6-132.2 136.0 -19.9 15.2 -22.3 132 132 A L E -eF 93 106A 1 -40,-2.2 -38,-2.6 -2,-0.4 2,-0.6 -0.937 21.0-155.3-107.2 106.6 -17.4 12.3 -22.5 133 133 A R E -eF 94 105A 51 -28,-2.5 -28,-1.8 -2,-0.7 2,-0.7 -0.730 5.6-164.3 -88.9 111.8 -19.3 9.4 -21.0 134 134 A I E -eF 95 104A 0 -40,-2.7 -38,-2.5 -2,-0.6 -30,-0.2 -0.904 21.9-128.4-103.5 108.4 -16.8 6.9 -19.7 135 135 A G E +e 96 0A 0 -32,-2.6 -33,-0.5 -2,-0.7 -35,-0.2 -0.406 33.4 170.4 -62.6 131.7 -18.6 3.6 -19.1 136 136 A I - 0 0 0 -40,-2.3 -36,-0.2 -37,-0.8 -39,-0.2 0.245 46.4-112.8-118.0 2.3 -18.1 2.1 -15.6 137 137 A G - 0 0 8 -38,-3.1 -1,-0.2 -41,-0.6 -38,-0.1 0.109 24.2 -96.7 77.2 159.7 -20.7 -0.7 -15.6 138 138 A H - 0 0 87 -40,-0.1 -1,-0.0 -3,-0.0 7,-0.0 -0.969 25.9-141.8-112.6 132.4 -24.0 -1.0 -13.6 139 139 A P - 0 0 35 0, 0.0 2,-0.3 0, 0.0 -1,-0.0 0.324 48.7 -94.2 -77.5 -2.9 -23.6 -3.2 -10.4 140 140 A G S S+ 0 0 59 3,-0.0 2,-0.3 2,-0.0 -2,-0.0 -0.656 90.8 30.4 124.2 -68.4 -27.0 -4.8 -10.6 141 141 A S S >> S- 0 0 29 -2,-0.3 4,-0.9 1,-0.1 3,-0.7 -0.814 75.4-107.1-133.2 165.1 -29.4 -2.8 -8.5 142 142 A K G >4 S+ 0 0 187 -2,-0.3 3,-0.5 1,-0.2 4,-0.5 0.819 113.8 57.2 -62.0 -34.3 -30.3 0.5 -7.2 143 143 A E G 34 S+ 0 0 164 1,-0.2 3,-0.3 2,-0.1 4,-0.3 0.881 109.6 46.4 -70.1 -29.4 -29.1 -0.2 -3.6 144 144 A R G X> S+ 0 0 142 -3,-0.7 4,-1.8 1,-0.2 3,-0.6 0.604 86.3 91.3 -81.5 -18.8 -25.6 -1.1 -4.8 145 145 A V H S+ 0 0 72 -4,-0.5 4,-1.6 -3,-0.3 -1,-0.3 0.835 111.3 44.6 -61.5 -39.0 -23.5 4.1 -4.6 147 147 A G H <4 S+ 0 0 59 -3,-0.6 -1,-0.2 -4,-0.3 -2,-0.2 0.691 113.6 55.5 -79.6 -21.8 -20.8 1.5 -3.3 148 148 A H H >< S+ 0 0 22 -4,-1.8 3,-1.9 -3,-0.3 -127,-0.5 0.968 110.7 40.0 -69.8 -59.4 -20.1 0.7 -7.0 149 149 A V H 3< S+ 0 0 10 -4,-2.6 -127,-2.7 1,-0.3 -126,-0.2 0.854 120.1 47.3 -63.5 -31.7 -19.4 4.4 -8.1 150 150 A L T 3< S+ 0 0 65 -4,-1.6 2,-0.3 -5,-0.3 -1,-0.3 0.275 102.9 85.4 -94.4 12.7 -17.5 5.0 -4.9 151 151 A G S < S- 0 0 17 -3,-1.9 -130,-2.4 -132,-0.1 2,-0.3 -0.803 82.6-108.3-108.7 155.9 -15.5 1.7 -5.2 152 152 A K B -G 20 0B 137 -2,-0.3 -132,-0.2 -132,-0.3 -2,-0.1 -0.645 36.7-124.7 -74.3 133.0 -12.3 0.8 -7.0 153 153 A A - 0 0 5 -134,-0.6 -1,-0.1 -2,-0.3 2,-0.0 -0.463 26.4-105.2 -73.8 148.5 -12.8 -1.5 -10.0 154 154 A P >> - 0 0 59 0, 0.0 4,-2.4 0, 0.0 3,-1.0 -0.349 41.2 -95.7 -67.3 158.6 -11.0 -4.9 -10.4 155 155 A S H 3> S+ 0 0 103 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.812 120.8 53.8 -41.4 -53.0 -8.0 -5.1 -12.8 156 156 A N H 3> S+ 0 0 104 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.875 114.0 42.1 -57.4 -36.2 -9.9 -6.5 -15.8 157 157 A E H <> S+ 0 0 53 -3,-1.0 4,-2.3 2,-0.2 -2,-0.2 0.874 109.5 56.9 -83.2 -40.4 -12.5 -3.6 -15.7 158 158 A Q H X S+ 0 0 37 -4,-2.4 4,-3.3 2,-0.2 5,-0.2 0.914 106.9 50.6 -51.7 -49.3 -9.9 -0.9 -15.0 159 159 A S H X S+ 0 0 76 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.875 108.7 51.9 -57.3 -45.2 -8.0 -2.0 -18.3 160 160 A L H X S+ 0 0 64 -4,-1.3 4,-2.2 -5,-0.2 -2,-0.2 0.972 113.8 43.0 -57.3 -50.0 -11.1 -1.8 -20.2 161 161 A M H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.881 113.8 50.6 -59.1 -48.9 -11.7 1.7 -18.9 162 162 A D H X S+ 0 0 56 -4,-3.3 4,-3.2 2,-0.2 5,-0.2 0.920 109.9 51.3 -57.7 -45.4 -8.1 2.8 -19.4 163 163 A G H X S+ 0 0 19 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.942 110.8 47.9 -53.2 -49.8 -8.2 1.4 -23.0 164 164 A A H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.892 113.8 48.5 -57.1 -40.8 -11.5 3.5 -23.6 165 165 A I H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.939 107.6 53.1 -69.3 -47.4 -9.7 6.6 -22.1 166 166 A D H X S+ 0 0 98 -4,-3.2 4,-1.5 1,-0.2 -2,-0.2 0.926 110.5 50.4 -51.3 -49.4 -6.4 6.1 -24.2 167 167 A H H X S+ 0 0 42 -4,-2.4 4,-0.5 -5,-0.2 3,-0.3 0.922 110.3 46.3 -55.9 -50.0 -8.7 6.1 -27.3 168 168 A A H >< S+ 0 0 1 -4,-2.2 3,-1.3 1,-0.2 4,-0.4 0.898 108.8 58.7 -62.9 -33.4 -10.6 9.3 -26.4 169 169 A L H >< S+ 0 0 13 -4,-2.6 3,-1.2 1,-0.3 4,-0.3 0.878 100.7 53.8 -59.2 -40.0 -7.2 10.9 -25.6 170 170 A S H 3< S+ 0 0 68 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.577 108.3 53.4 -76.1 -7.9 -6.0 10.3 -29.2 171 171 A K T S+ 0 0 0 -3,-1.2 4,-3.0 -4,-0.4 5,-0.3 0.873 75.6 67.8 -61.5 -34.2 -8.8 15.4 -28.4 173 173 A K H > S+ 0 0 90 -4,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.932 101.8 46.8 -45.3 -52.8 -7.0 17.0 -31.4 174 174 A L H 4>S+ 0 0 34 -3,-0.4 5,-2.2 1,-0.2 -1,-0.2 0.845 113.0 50.7 -57.0 -39.9 -10.3 16.8 -33.4 175 175 A L H ><5S+ 0 0 2 -4,-1.2 -171,-2.1 -3,-0.2 3,-1.7 0.939 111.5 44.1 -70.8 -44.5 -12.2 18.2 -30.4 176 176 A V H 3<5S+ 0 0 0 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.767 110.8 57.1 -74.1 -22.9 -10.0 21.2 -29.8 177 177 A Q T 3<5S- 0 0 65 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.284 119.8-109.7 -87.3 8.5 -9.9 21.9 -33.6 178 178 A G T < 5S+ 0 0 9 -3,-1.7 2,-1.8 1,-0.2 -3,-0.2 0.476 78.3 132.7 82.4 1.8 -13.7 22.1 -33.7 179 179 A Q >< + 0 0 69 -5,-2.2 4,-1.1 -6,-0.2 -1,-0.2 -0.660 18.8 151.9 -87.3 84.7 -14.3 18.9 -35.5 180 180 A V H > + 0 0 1 -2,-1.8 4,-3.0 2,-0.2 -1,-0.2 0.923 66.0 51.1 -84.8 -46.9 -17.0 17.7 -33.2 181 181 A P H > S+ 0 0 66 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.917 114.3 47.6 -53.0 -42.2 -19.0 15.4 -35.6 182 182 A Q H > S+ 0 0 81 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.905 112.0 48.3 -67.4 -47.0 -15.7 13.7 -36.6 183 183 A A H X S+ 0 0 0 -4,-1.1 4,-3.2 2,-0.2 5,-0.3 0.913 110.3 52.9 -55.5 -45.9 -14.7 13.2 -33.0 184 184 A M H X S+ 0 0 49 -4,-3.0 4,-3.4 1,-0.2 -78,-0.3 0.953 110.3 46.4 -59.0 -48.3 -18.0 11.8 -32.1 185 185 A N H X S+ 0 0 120 -4,-2.3 4,-1.3 1,-0.2 -1,-0.2 0.918 117.4 43.3 -60.9 -42.8 -17.9 9.2 -34.9 186 186 A Q H < S+ 0 0 80 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.801 117.7 43.3 -79.6 -32.4 -14.4 8.2 -34.0 187 187 A I H >< S+ 0 0 0 -4,-3.2 3,-1.9 -5,-0.2 -83,-0.2 0.937 114.2 51.2 -70.3 -47.4 -14.9 8.1 -30.2 188 188 A N H 3< S+ 0 0 38 -4,-3.4 -2,-0.2 -5,-0.3 -3,-0.2 0.738 101.7 62.4 -67.1 -19.4 -18.2 6.4 -30.5 189 189 A A T 3< S+ 0 0 75 -4,-1.3 -1,-0.3 -5,-0.3 -2,-0.1 0.522 77.2 122.8 -81.4 -6.4 -16.8 3.6 -32.7 190 190 A Y < + 0 0 44 -3,-1.9 -86,-0.3 -86,-0.3 -26,-0.0 -0.327 29.4 167.1 -63.7 136.7 -14.4 2.4 -30.1 191 191 A K - 0 0 167 -88,-0.1 -88,-0.1 -2,-0.1 -89,-0.1 -0.973 47.8 -89.7-141.9 139.9 -14.5 -1.3 -29.0 192 192 A P 0 0 60 0, 0.0 -32,-0.1 0, 0.0 -89,-0.0 -0.188 360.0 360.0 -55.3 145.8 -11.7 -2.9 -26.9 193 193 A A 0 0 174 -3,-0.0 0, 0.0 0, 0.0 0, 0.0 0.994 360.0 360.0 -67.8 360.0 -8.9 -4.5 -29.0