==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 03-MAY-07 2PQY . COMPND 2 MOLECULE: RIBONUCLEASE I; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.MESSENS,R.LORIS . 245 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11234.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 158 64.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 12.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 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 . 11 4.5 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 . 64 26.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.9 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 2 0 0 1 1 1 2 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 1 0 1 0 0 1 2 0 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 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 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 L 0 0 140 0, 0.0 2,-0.1 0, 0.0 146,-0.0 0.000 360.0 360.0 360.0 134.1 29.8 31.7 37.9 2 2 A A - 0 0 58 1,-0.1 2,-0.6 145,-0.0 141,-0.1 -0.321 360.0-130.2 -65.8 139.7 26.5 31.2 36.1 3 3 A L + 0 0 1 140,-0.2 2,-0.4 141,-0.1 214,-0.1 -0.814 36.0 173.8 -90.2 123.2 26.0 28.3 33.7 4 4 A Q - 0 0 125 -2,-0.6 136,-0.4 134,-0.1 2,-0.2 -0.995 28.5-134.4-138.7 134.8 24.6 29.4 30.4 5 5 A A - 0 0 31 -2,-0.4 133,-0.2 4,-0.1 3,-0.1 -0.551 10.5-168.8 -80.5 149.0 24.0 27.7 27.1 6 6 A K S S+ 0 0 168 131,-3.4 2,-0.3 1,-0.3 132,-0.2 0.548 75.6 20.8-111.0 -17.5 25.2 29.6 24.0 7 7 A Q S S+ 0 0 110 130,-0.9 -1,-0.3 1,-0.0 132,-0.1 -0.931 126.1 15.7-143.1 161.9 23.3 27.3 21.4 8 8 A Y S S+ 0 0 59 -2,-0.3 57,-0.1 1,-0.2 3,-0.1 0.736 75.9 148.9 42.8 28.8 20.4 24.9 21.7 9 9 A G + 0 0 41 1,-0.2 2,-1.2 53,-0.1 -1,-0.2 0.456 35.1 99.2 -72.8 2.0 19.6 26.6 25.0 10 10 A D + 0 0 72 2,-0.0 53,-2.4 52,-0.0 2,-0.3 -0.258 50.7 115.4 -88.9 52.0 15.8 26.1 24.7 11 11 A F - 0 0 17 -2,-1.2 50,-0.1 51,-0.3 3,-0.0 -0.808 59.0-142.2-109.9 156.4 15.6 23.1 27.0 12 12 A D + 0 0 90 49,-0.3 201,-3.2 -2,-0.3 202,-0.4 0.657 68.5 24.2 -98.1 -13.4 13.6 23.2 30.2 13 13 A R E -A 212 0A 64 199,-0.3 47,-2.8 200,-0.2 2,-0.3 -0.882 50.5-144.1-146.2 175.2 15.6 21.1 32.6 14 14 A Y E -AB 211 59A 6 197,-2.0 197,-3.0 45,-0.3 2,-0.7 -0.975 20.3-140.9-135.6 142.5 18.9 19.5 33.7 15 15 A V E -AB 210 58A 25 43,-2.3 43,-3.1 -2,-0.3 2,-0.6 -0.948 12.3-150.0-109.7 113.2 19.1 16.1 35.2 16 16 A L E -AB 209 57A 0 193,-2.9 193,-2.7 -2,-0.7 2,-0.6 -0.766 15.0-157.3 -80.7 121.5 21.7 16.1 38.0 17 17 A A E +AB 208 56A 0 39,-3.0 38,-2.9 -2,-0.6 39,-2.1 -0.919 15.8 175.4-107.3 116.7 23.1 12.6 38.0 18 18 A L E -AB 207 54A 0 189,-3.5 189,-3.9 -2,-0.6 2,-0.4 -0.923 14.9-149.8-119.9 144.4 24.7 11.4 41.3 19 19 A S E -AB 206 53A 11 34,-2.2 34,-2.4 -2,-0.4 2,-1.6 -0.912 21.6-126.0-118.3 144.2 26.0 8.0 42.0 20 20 A W E > - B 0 52A 0 185,-1.3 4,-2.7 -2,-0.4 3,-0.3 -0.747 32.7-154.3 -83.3 91.6 26.2 6.1 45.3 21 21 A Q H > S+ 0 0 17 30,-2.8 4,-2.2 -2,-1.6 5,-0.2 0.787 87.2 49.4 -39.0 -48.8 29.9 5.5 44.8 22 22 A T H > S+ 0 0 0 29,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.967 114.0 45.9 -59.9 -52.4 30.0 2.4 46.9 23 23 A G H > S+ 0 0 0 -3,-0.3 4,-2.5 218,-0.3 -2,-0.2 0.912 109.2 55.8 -55.8 -46.5 27.0 0.9 45.1 24 24 A F H X S+ 0 0 54 -4,-2.7 4,-1.9 181,-0.2 -1,-0.2 0.904 111.7 43.2 -51.9 -47.4 28.5 1.8 41.7 25 25 A a H X S+ 0 0 0 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.2 0.896 109.5 57.2 -66.7 -41.6 31.7 -0.1 42.5 26 26 A Q H X S+ 0 0 19 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.891 109.1 46.9 -56.4 -41.4 29.7 -3.0 44.0 27 27 A S H X S+ 0 0 10 -4,-2.5 4,-1.9 2,-0.2 6,-0.2 0.904 107.6 53.2 -69.8 -44.0 27.9 -3.4 40.7 28 28 A Q H <>S+ 0 0 25 -4,-1.9 5,-2.7 1,-0.2 -1,-0.2 0.851 113.3 47.9 -59.4 -32.5 30.9 -3.2 38.4 29 29 A H H ><5S+ 0 0 85 -4,-1.9 3,-1.7 3,-0.2 -2,-0.2 0.944 111.3 46.4 -72.5 -50.6 32.3 -6.0 40.6 30 30 A D H 3<5S+ 0 0 82 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.690 107.5 57.9 -67.3 -20.7 29.2 -8.2 40.5 31 31 A R T 3<5S- 0 0 79 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.395 117.1-117.4 -88.0 3.1 28.9 -7.8 36.8 32 32 A N T < 5 + 0 0 89 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.1 0.828 62.6 153.2 65.1 34.0 32.4 -9.2 36.6 33 33 A R < - 0 0 82 -5,-2.7 2,-0.3 -6,-0.2 -1,-0.2 -0.451 55.1 -84.2 -88.5 165.9 33.8 -5.9 35.1 34 34 A N - 0 0 153 -2,-0.1 2,-0.3 1,-0.1 -1,-0.1 -0.546 48.4-113.2 -72.2 130.6 37.4 -4.7 35.5 35 35 A E - 0 0 107 -2,-0.3 -1,-0.1 4,-0.1 2,-0.1 -0.487 30.7-139.7 -68.0 123.1 37.9 -2.8 38.8 36 36 A R > - 0 0 92 -2,-0.3 4,-2.6 1,-0.1 3,-0.4 -0.325 22.2-111.6 -76.9 165.5 38.6 0.8 38.1 37 37 A D H > S+ 0 0 48 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.768 118.3 60.2 -68.6 -25.1 41.3 2.7 40.1 38 38 A E H 4 S+ 0 0 22 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.823 113.3 35.7 -70.7 -33.4 38.4 4.7 41.7 39 39 A a H 4 S+ 0 0 5 -3,-0.4 -2,-0.2 2,-0.2 -1,-0.2 0.821 114.6 54.7 -87.6 -37.3 36.9 1.6 43.1 40 40 A R H < S+ 0 0 59 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.830 116.4 40.2 -64.9 -31.8 40.1 -0.2 43.8 41 41 A L S < S+ 0 0 71 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.661 88.0 124.3 -89.5 -20.3 41.1 2.9 45.9 42 42 A Q + 0 0 37 -4,-0.4 2,-0.3 -5,-0.1 -3,-0.1 -0.085 37.0 166.4 -43.0 135.2 37.6 3.3 47.3 43 43 A T - 0 0 104 201,-0.0 -2,-0.1 200,-0.0 -1,-0.0 -0.982 38.6 -80.0-153.2 160.2 37.8 3.3 51.1 44 44 A E - 0 0 90 -2,-0.3 2,-0.3 199,-0.1 4,-0.0 -0.246 48.0-173.6 -62.6 147.4 35.7 4.2 54.2 45 45 A T - 0 0 56 1,-0.1 6,-0.1 0, 0.0 3,-0.1 -0.898 35.3-106.8-140.6 170.0 35.4 7.8 55.3 46 46 A T S S+ 0 0 99 -2,-0.3 2,-0.9 1,-0.2 -1,-0.1 0.978 107.4 47.7 -60.1 -65.2 34.1 10.0 58.1 47 47 A N > - 0 0 46 1,-0.2 3,-1.6 2,-0.0 -1,-0.2 -0.739 68.6-165.4 -84.7 107.9 31.1 11.6 56.3 48 48 A K G > S+ 0 0 54 -2,-0.9 3,-2.0 1,-0.3 -1,-0.2 0.787 84.7 71.8 -62.5 -27.9 29.2 8.7 54.7 49 49 A A G > S+ 0 0 14 1,-0.3 3,-2.1 2,-0.2 -1,-0.3 0.780 80.7 75.0 -59.1 -25.5 27.3 11.2 52.6 50 50 A D G < S+ 0 0 76 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.515 74.9 77.9 -66.8 -3.8 30.6 11.7 50.7 51 51 A F G < S+ 0 0 12 -3,-2.0 -30,-2.8 1,-0.1 2,-1.0 0.515 73.7 92.0 -80.7 -4.4 29.9 8.4 49.0 52 52 A L E < +B 20 0A 1 -3,-2.1 -32,-0.2 -32,-0.2 2,-0.2 -0.814 66.3 179.8 -93.0 103.7 27.5 10.4 46.9 53 53 A T E -B 19 0A 9 -34,-2.4 -34,-2.2 -2,-1.0 2,-0.4 -0.603 31.5 -95.9-105.5 164.7 29.6 11.5 44.0 54 54 A V E +B 18 0A 2 61,-2.3 -36,-0.2 -36,-0.2 3,-0.1 -0.644 37.1 166.2 -81.8 128.9 29.0 13.5 40.8 55 55 A H E - 0 0 49 -38,-2.9 2,-0.3 -2,-0.4 -37,-0.2 0.764 59.3 -66.3-104.5 -47.8 28.2 11.6 37.7 56 56 A G E -B 17 0A 0 -39,-2.1 -39,-3.0 92,-0.1 2,-0.4 -0.996 28.9-106.2 178.1-177.7 26.9 14.5 35.6 57 57 A L E -B 16 0A 0 -2,-0.3 -41,-0.2 -41,-0.2 91,-0.1 -0.945 35.7-167.0-135.4 110.2 24.5 17.3 34.7 58 58 A W E -B 15 0A 46 -43,-3.1 -43,-2.3 -2,-0.4 76,-0.1 -0.873 12.8-142.6-112.2 112.8 22.3 16.5 31.7 59 59 A P E -B 14 0A 1 0, 0.0 -45,-0.3 0, 0.0 20,-0.0 -0.340 28.8-116.8 -64.6 148.0 20.3 19.1 29.9 60 60 A G - 0 0 9 -47,-2.8 -49,-0.0 1,-0.2 -45,-0.0 -0.121 52.6 -57.5 -75.2-179.6 16.9 17.8 28.7 61 61 A L - 0 0 20 1,-0.1 -49,-0.3 -50,-0.1 -1,-0.2 -0.462 58.4-128.9 -65.3 116.0 15.9 17.6 25.1 62 62 A P >> - 0 0 0 0, 0.0 4,-2.7 0, 0.0 3,-1.1 -0.463 9.8-132.1 -65.9 134.5 16.2 21.1 23.5 63 63 A K H 3> S+ 0 0 99 -53,-2.4 4,-3.0 1,-0.3 5,-0.2 0.881 108.9 57.3 -55.6 -38.9 13.0 22.1 21.7 64 64 A S H 34 S+ 0 0 41 1,-0.2 4,-0.3 2,-0.2 -1,-0.3 0.776 111.0 43.6 -62.9 -27.5 15.1 23.2 18.7 65 65 A V H X4>S+ 0 0 0 -3,-1.1 5,-1.3 2,-0.2 3,-1.0 0.874 112.8 49.7 -84.0 -43.0 16.5 19.7 18.6 66 66 A A H ><5S+ 0 0 35 -4,-2.7 3,-3.1 1,-0.3 -2,-0.2 0.921 102.1 64.4 -60.3 -42.6 13.2 18.0 19.1 67 67 A A T 3<5S+ 0 0 83 -4,-3.0 -1,-0.3 1,-0.3 -2,-0.2 0.747 97.0 57.7 -52.1 -27.6 11.8 20.1 16.3 68 68 A R T < 5S- 0 0 140 -3,-1.0 -1,-0.3 -4,-0.3 -2,-0.2 0.347 131.9 -89.2 -88.9 8.2 14.2 18.5 13.9 69 69 A G T < 5S+ 0 0 64 -3,-3.1 2,-0.3 1,-0.3 -3,-0.2 0.301 80.1 139.6 107.2 -10.5 12.8 15.0 14.7 70 70 A V < - 0 0 5 -5,-1.3 -1,-0.3 15,-0.1 2,-0.2 -0.512 37.3-152.5 -71.8 130.6 14.9 14.0 17.7 71 71 A D > - 0 0 83 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.548 28.4 -99.1-100.2 170.4 13.0 12.1 20.3 72 72 A E H > S+ 0 0 114 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.890 120.4 47.0 -50.9 -50.8 13.5 11.8 24.1 73 73 A R H > S+ 0 0 122 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.916 111.2 49.4 -63.5 -44.9 15.1 8.4 23.9 74 74 A R H > S+ 0 0 63 1,-0.2 4,-2.9 2,-0.2 5,-0.5 0.921 113.5 48.9 -61.1 -41.4 17.5 9.2 21.1 75 75 A W H X S+ 0 0 11 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.915 109.8 50.7 -63.2 -43.4 18.4 12.3 23.1 76 76 A M H < S+ 0 0 109 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.841 116.4 43.4 -62.9 -32.5 18.9 10.2 26.2 77 77 A R H < S+ 0 0 43 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.875 131.8 13.8 -82.9 -39.3 21.1 7.9 24.2 78 78 A F H >< S+ 0 0 87 -4,-2.9 3,-2.5 1,-0.2 13,-0.3 0.633 74.4 179.5-114.6 -17.7 23.3 10.3 22.2 79 79 A G G >< S+ 0 0 0 -4,-2.1 3,-2.5 -5,-0.5 8,-0.2 -0.254 79.8 9.5 52.5-129.4 22.9 13.7 23.7 80 80 A b G 3 S+ 0 0 0 52,-2.8 8,-2.7 1,-0.3 -1,-0.3 0.586 128.0 64.4 -55.3 -12.0 25.1 16.2 21.7 81 81 A A G < S+ 0 0 14 -3,-2.5 -1,-0.3 6,-0.2 -2,-0.2 0.457 74.1 122.7 -94.7 -0.8 25.7 13.4 19.1 82 82 A T < > - 0 0 0 -3,-2.5 5,-2.5 -7,-0.1 6,-0.2 -0.177 59.4 -91.8 -62.0 154.6 22.1 13.1 17.9 83 83 A R T 5S+ 0 0 96 1,-0.2 -1,-0.1 3,-0.1 -2,-0.1 -0.859 99.5 16.1-117.5 153.1 21.3 13.5 14.3 84 84 A P T 5S+ 0 0 60 0, 0.0 -1,-0.2 0, 0.0 -15,-0.1 -0.971 125.1 50.4 -67.3 -22.3 20.4 15.5 12.3 85 85 A I T 5S+ 0 0 33 -20,-0.2 -4,-0.1 1,-0.1 -15,-0.1 -0.955 111.1 3.5-140.4 158.9 21.6 17.9 15.1 86 86 A P T 5S+ 0 0 12 0, 0.0 -3,-0.1 0, 0.0 -1,-0.1 -0.986 77.7 178.5 -67.0 -16.7 23.6 18.8 17.1 87 87 A N < + 0 0 94 -5,-2.5 -6,-0.2 -8,-0.2 -4,-0.1 0.770 15.9 156.6 60.2 33.3 25.4 16.0 15.4 88 88 A L - 0 0 56 -8,-2.7 -1,-0.2 1,-0.2 3,-0.1 -0.437 56.1 -66.6 -83.8 164.9 28.7 16.2 17.2 89 89 A P - 0 0 114 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 -0.162 61.2-106.7 -49.8 137.3 31.2 13.3 17.6 90 90 A E - 0 0 101 -9,-0.1 2,-0.5 -3,-0.1 42,-0.1 -0.485 25.6-135.4 -71.6 134.7 29.7 10.5 19.6 91 91 A A - 0 0 9 -13,-0.3 2,-0.4 -2,-0.2 5,-0.1 -0.800 21.7-157.1 -91.0 126.7 31.1 10.1 23.1 92 92 A R > - 0 0 36 -2,-0.5 3,-1.7 3,-0.3 6,-0.2 -0.905 19.9-147.8-111.4 133.3 31.8 6.5 23.9 93 93 A A G > S+ 0 0 63 -2,-0.4 3,-0.7 1,-0.3 4,-0.1 0.775 101.2 62.6 -64.7 -26.0 32.1 5.0 27.4 94 94 A S G 3 S+ 0 0 115 1,-0.2 -1,-0.3 2,-0.1 3,-0.0 0.466 118.5 25.5 -79.2 -2.3 34.6 2.5 26.1 95 95 A R G X + 0 0 139 -3,-1.7 3,-2.0 29,-0.0 4,-0.5 -0.166 68.9 151.2-155.3 50.8 36.9 5.4 25.2 96 96 A M G X S+ 0 0 23 -3,-0.7 3,-1.6 1,-0.3 28,-0.1 0.871 76.0 57.6 -53.1 -41.2 36.1 8.3 27.5 97 97 A c G 3 S+ 0 0 47 1,-0.3 -1,-0.3 25,-0.2 27,-0.1 0.630 94.3 68.1 -67.6 -12.2 39.7 9.6 27.3 98 98 A S G < S+ 0 0 84 -3,-2.0 -1,-0.3 -6,-0.2 -2,-0.2 0.675 81.0 93.5 -80.0 -18.2 39.4 9.8 23.5 99 99 A S S < S- 0 0 12 -3,-1.6 29,-0.1 -4,-0.5 28,-0.1 -0.352 95.8 -81.3 -68.7 158.4 36.9 12.6 23.9 100 100 A P - 0 0 98 0, 0.0 -1,-0.1 0, 0.0 31,-0.1 -0.287 45.6-101.4 -63.5 142.7 38.4 16.1 23.8 101 101 A E - 0 0 72 1,-0.1 -4,-0.0 -3,-0.1 -3,-0.0 -0.436 33.9-135.4 -60.4 137.7 40.1 17.7 26.8 102 102 A T - 0 0 24 -3,-0.1 -1,-0.1 1,-0.1 3,-0.1 0.794 22.5-122.6 -71.6 -31.2 37.4 20.1 28.2 103 103 A G + 0 0 65 1,-0.3 39,-0.1 38,-0.1 3,-0.1 0.559 51.3 166.3 95.6 9.7 39.6 23.1 28.9 104 104 A L - 0 0 30 37,-0.1 -1,-0.3 1,-0.1 2,-0.0 -0.315 40.2-109.1 -58.0 139.9 38.5 22.9 32.5 105 105 A S > - 0 0 39 1,-0.1 4,-2.5 -3,-0.1 5,-0.2 -0.345 22.1-114.8 -71.2 156.2 40.8 25.1 34.8 106 106 A L H > S+ 0 0 160 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.893 116.1 53.9 -56.7 -41.8 43.1 23.4 37.2 107 107 A E H > S+ 0 0 71 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.943 112.5 41.3 -59.3 -50.7 41.2 24.9 40.1 108 108 A T H > S+ 0 0 23 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.831 110.7 59.0 -68.1 -30.7 37.9 23.5 39.0 109 109 A A H X S+ 0 0 32 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.884 106.8 47.9 -64.1 -37.5 39.6 20.2 38.0 110 110 A A H X S+ 0 0 58 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.911 110.8 49.2 -69.7 -43.7 40.7 19.9 41.6 111 111 A K H X S+ 0 0 67 -4,-1.9 4,-0.6 1,-0.2 -2,-0.2 0.908 113.1 49.0 -61.3 -41.1 37.2 20.6 43.1 112 112 A L H >X S+ 0 0 1 -4,-2.4 4,-2.6 1,-0.2 3,-1.5 0.929 104.9 57.1 -65.2 -47.4 35.7 18.1 40.6 113 113 A S H 3< S+ 0 0 61 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.880 98.9 60.7 -52.2 -43.2 38.2 15.3 41.5 114 114 A E H 3< S+ 0 0 108 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.783 123.1 21.1 -57.3 -28.3 37.3 15.5 45.2 115 115 A V H << S+ 0 0 19 -3,-1.5 -61,-2.3 -4,-0.6 -2,-0.2 0.471 122.6 55.6-119.7 -6.0 33.7 14.5 44.2 116 116 A M >< - 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