==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 19-MAR-08 3CLH . COMPND 2 MOLECULE: 3-DEHYDROQUINATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HELICOBACTER PYLORI; . AUTHOR W.C.WANG,J.S.LIU,W.C.CHENG,H.J.WANG,Y.C.CHEN . 616 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29386.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 439 71.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 60 9.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 34 5.5 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 . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.5 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 . 47 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 216 35.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 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 4 0 1 1 2 1 1 0 6 0 2 0 1 2 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 3 1 1 2 4 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 . 6 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 4 2 0 0 0 1 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 4 A I 0 0 104 0, 0.0 2,-0.4 0, 0.0 14,-0.2 0.000 360.0 360.0 360.0 137.4 38.6 -28.4 40.4 2 5 A L B -A 14 0A 84 12,-2.6 12,-2.7 2,-0.0 0, 0.0 -0.815 360.0-147.2 -96.3 140.9 36.8 -31.3 42.2 3 6 A I - 0 0 93 -2,-0.4 2,-0.4 10,-0.2 10,-0.2 -0.809 11.8-171.3-117.2 90.7 33.9 -32.9 40.3 4 7 A P - 0 0 14 0, 0.0 8,-2.3 0, 0.0 2,-0.4 -0.664 16.3-144.9 -74.4 132.6 31.0 -34.3 42.4 5 8 A L B -G 11 0B 90 -2,-0.4 6,-0.2 6,-0.2 -2,-0.0 -0.848 8.7-161.1-100.5 133.4 28.5 -36.3 40.3 6 9 A K - 0 0 37 4,-1.4 -1,-0.2 -2,-0.4 5,-0.1 0.989 62.0 -67.7 -72.2 -73.0 24.8 -36.2 41.2 7 10 A E S S- 0 0 129 3,-0.3 -2,-0.1 0, 0.0 4,-0.0 0.378 93.2 -44.1-150.8 -44.6 23.4 -39.3 39.5 8 11 A K S S+ 0 0 164 2,-0.1 3,-0.0 0, 0.0 0, 0.0 0.264 117.6 72.3-163.7 -39.2 23.6 -39.0 35.7 9 12 A N S S- 0 0 97 1,-0.1 2,-0.3 -4,-0.0 -4,-0.0 0.964 99.2 -5.5 -59.9 -67.8 22.4 -35.5 34.6 10 13 A Y - 0 0 5 139,-0.0 -4,-1.4 0, 0.0 2,-0.4 -0.826 54.6-128.0-137.1 166.9 25.1 -33.0 35.6 11 14 A K B -G 5 0B 96 137,-0.5 139,-1.7 -2,-0.3 2,-0.3 -0.950 15.6-137.5-120.7 136.0 28.4 -32.4 37.4 12 15 A V E - b 0 150A 0 -8,-2.3 2,-0.5 -2,-0.4 139,-0.2 -0.651 12.9-152.0 -82.1 145.8 29.4 -29.8 40.0 13 16 A F E - b 0 151A 38 137,-2.1 139,-2.3 -2,-0.3 2,-0.7 -0.862 11.2-168.2-124.0 96.2 32.8 -28.1 39.6 14 17 A L E +Ab 2 152A 1 -12,-2.7 -12,-2.6 -2,-0.5 2,-0.3 -0.758 52.8 26.9 -93.3 110.2 34.2 -27.1 43.0 15 18 A G S S+ 0 0 6 137,-3.3 2,-0.2 -2,-0.7 140,-0.1 -0.965 102.8 4.2 142.5-158.1 37.2 -24.8 42.7 16 19 A E S S- 0 0 134 -2,-0.3 136,-0.1 137,-0.1 137,-0.1 -0.423 78.7-106.5 -66.3 128.3 38.7 -22.2 40.3 17 20 A L - 0 0 8 -2,-0.2 -1,-0.1 134,-0.1 2,-0.1 -0.334 40.1-153.1 -58.4 123.6 36.5 -21.5 37.3 18 21 A P - 0 0 44 0, 0.0 2,-0.5 0, 0.0 27,-0.1 -0.212 35.1 -65.1 -88.6-176.7 37.9 -23.1 34.1 19 22 A E - 0 0 134 27,-0.1 2,-0.9 -2,-0.1 27,-0.2 -0.616 46.6-156.1 -72.2 118.7 37.6 -22.1 30.4 20 23 A I E -h 46 0C 8 25,-3.1 27,-2.7 -2,-0.5 2,-0.5 -0.839 12.6-174.6-101.4 98.3 34.0 -22.6 29.4 21 24 A K E -h 47 0C 140 -2,-0.9 2,-0.4 25,-0.2 27,-0.2 -0.841 5.6-176.0 -97.0 125.4 33.9 -23.1 25.6 22 25 A L - 0 0 26 25,-3.3 4,-0.1 -2,-0.5 27,-0.0 -0.941 30.6-154.1-126.2 142.6 30.5 -23.3 24.0 23 26 A K S S+ 0 0 165 -2,-0.4 2,-0.3 25,-0.1 25,-0.1 0.185 80.5 63.3 -95.5 14.6 29.3 -24.0 20.5 24 27 A Q S S- 0 0 77 26,-0.0 25,-0.9 59,-0.0 26,-0.3 -0.888 93.4 -85.3-135.4 164.5 26.0 -22.0 21.1 25 28 A K - 0 0 57 -2,-0.3 60,-2.3 24,-0.2 2,-0.4 -0.425 45.1-156.0 -69.8 144.1 24.9 -18.5 21.9 26 29 A A E -cd 51 85A 0 24,-3.1 26,-1.6 58,-0.2 2,-0.5 -0.965 15.3-160.6-131.1 141.5 24.9 -17.5 25.6 27 30 A L E -cd 52 86A 0 58,-1.8 60,-3.1 -2,-0.4 2,-0.5 -0.973 13.7-153.9-121.0 115.9 23.0 -15.0 27.8 28 31 A I E -cd 53 87A 0 24,-2.3 26,-3.0 -2,-0.5 2,-0.5 -0.771 7.8-165.7 -90.6 127.8 24.6 -14.1 31.2 29 32 A I E +cd 54 88A 0 58,-3.4 60,-2.4 -2,-0.5 2,-0.2 -0.969 21.3 149.9-116.5 123.5 22.2 -12.9 33.9 30 33 A S E -cd 55 89A 0 24,-1.7 26,-2.7 -2,-0.5 2,-0.2 -0.823 39.1-105.8-138.7 174.4 23.6 -11.2 37.0 31 34 A D E > -c 56 0A 16 58,-0.6 4,-2.6 -2,-0.2 26,-0.2 -0.618 37.9 -99.7-103.1 170.0 22.6 -8.5 39.6 32 35 A S H > S+ 0 0 65 24,-1.1 4,-0.6 1,-0.2 25,-0.1 0.814 120.4 42.5 -57.6 -37.5 23.9 -5.0 40.0 33 36 A I H 4 S+ 0 0 100 2,-0.2 3,-0.4 1,-0.1 -1,-0.2 0.910 116.3 45.7 -78.0 -44.9 26.4 -5.8 42.8 34 37 A V H >>>S+ 0 0 13 1,-0.2 4,-3.4 2,-0.2 3,-1.6 0.855 106.8 59.7 -67.5 -36.7 27.8 -9.1 41.3 35 38 A A H 3<5S+ 0 0 22 -4,-2.6 4,-0.3 1,-0.3 -1,-0.2 0.773 106.0 48.5 -63.6 -28.7 28.2 -7.5 37.9 36 39 A G T 3<5S+ 0 0 65 -4,-0.6 -1,-0.3 -3,-0.4 -2,-0.2 0.196 125.2 28.2 -95.5 14.5 30.5 -4.9 39.3 37 40 A L T <45S+ 0 0 93 -3,-1.6 -2,-0.2 0, 0.0 -3,-0.2 0.564 132.5 16.6-137.1 -42.6 32.6 -7.5 41.2 38 41 A H T X5S+ 0 0 18 -4,-3.4 4,-0.9 -5,-0.1 -3,-0.2 0.356 94.3 90.0-128.2 2.2 32.6 -10.9 39.5 39 42 A L H > S+ 0 0 69 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.826 103.2 61.0 -60.6 -32.2 34.9 -9.9 34.4 41 44 A Y H 4 S+ 0 0 58 1,-0.2 4,-0.3 2,-0.2 -2,-0.2 0.839 111.7 37.9 -61.9 -36.4 36.0 -13.1 36.1 42 45 A L H >< S+ 0 0 0 -4,-0.9 3,-0.9 -3,-0.5 -22,-0.2 0.877 113.5 54.5 -81.1 -42.6 33.4 -15.0 34.1 43 46 A L H >< S+ 0 0 73 -4,-2.4 3,-0.8 1,-0.2 -2,-0.2 0.769 101.1 59.4 -66.0 -29.5 33.8 -13.1 30.8 44 47 A E T 3< S+ 0 0 141 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.1 0.736 114.7 35.2 -71.5 -24.4 37.6 -13.6 30.6 45 48 A R T < S+ 0 0 64 -3,-0.9 -25,-3.1 -4,-0.3 2,-0.5 0.020 97.4 97.3-120.9 25.6 37.2 -17.4 30.6 46 49 A L E < -h 20 0C 11 -3,-0.8 2,-0.5 -27,-0.2 -25,-0.2 -0.973 45.6-178.2-118.2 125.4 33.9 -17.8 28.5 47 50 A K E +h 21 0C 100 -27,-2.7 -25,-3.3 -2,-0.5 2,-0.3 -0.984 20.2 137.8-125.7 121.3 34.0 -18.5 24.8 48 51 A A - 0 0 31 -2,-0.5 3,-0.2 -27,-0.2 -23,-0.2 -0.884 63.3 -95.6-148.6 175.9 30.8 -18.7 22.8 49 52 A L S S- 0 0 118 -25,-0.9 2,-0.3 1,-0.3 -24,-0.2 0.921 109.4 -2.1 -64.0 -47.1 29.1 -17.8 19.5 50 53 A E - 0 0 58 -26,-0.3 -24,-3.1 -3,-0.1 2,-0.5 -0.961 66.0-163.5-150.2 132.2 27.5 -14.6 21.0 51 54 A V E +c 26 0A 50 -2,-0.3 2,-0.3 -3,-0.2 -24,-0.2 -0.966 14.0 168.9-121.4 119.3 27.6 -13.3 24.6 52 55 A R E -c 27 0A 110 -26,-1.6 -24,-2.3 -2,-0.5 2,-0.4 -0.962 22.7-137.0-127.6 149.0 25.2 -10.7 25.9 53 56 A V E -c 28 0A 56 -2,-0.3 2,-0.5 -26,-0.2 -24,-0.2 -0.886 12.1-170.8-112.6 132.3 24.6 -9.6 29.5 54 57 A C E -c 29 0A 2 -26,-3.0 -24,-1.7 -2,-0.4 2,-0.5 -0.985 13.0-160.7-118.8 120.2 21.3 -8.9 31.3 55 58 A V E -c 30 0A 49 -2,-0.5 2,-0.2 -26,-0.2 -24,-0.2 -0.894 3.7-164.0-110.2 122.9 21.5 -7.2 34.7 56 59 A I E -c 31 0A 1 -26,-2.7 -24,-1.1 -2,-0.5 2,-0.2 -0.663 34.4 -98.2 -92.8 154.1 18.7 -7.3 37.3 57 60 A E - 0 0 89 -2,-0.2 5,-0.1 -26,-0.2 2,-0.1 -0.532 46.2-102.8 -71.9 140.6 18.7 -4.9 40.3 58 61 A S S S+ 0 0 48 -2,-0.2 2,-0.2 3,-0.1 3,-0.1 -0.402 74.1 71.7 -68.3 135.7 20.0 -6.5 43.5 59 62 A G S > S- 0 0 32 -2,-0.1 3,-0.5 1,-0.1 4,-0.0 -0.572 80.0 -99.1 139.9 159.7 17.4 -7.5 46.1 60 63 A E G > S+ 0 0 87 1,-0.2 3,-1.6 -2,-0.2 73,-0.2 0.782 113.9 66.8 -74.2 -30.4 14.7 -10.0 47.1 61 64 A K G 3 S+ 0 0 162 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.1 0.637 93.3 60.2 -67.6 -15.7 11.9 -7.6 46.0 62 65 A Y G < S+ 0 0 75 -3,-0.5 2,-1.9 -5,-0.1 5,-0.3 0.406 73.6 102.9 -92.9 0.5 13.1 -8.0 42.4 63 66 A K < + 0 0 10 -3,-1.6 70,-2.1 4,-0.1 2,-0.2 -0.563 65.6 94.8 -82.2 74.9 12.4 -11.7 42.4 64 67 A N S > S- 0 0 50 -2,-1.9 4,-1.3 68,-0.2 70,-0.1 -0.681 93.0 -76.5-144.0-165.4 9.1 -11.3 40.4 65 68 A F H > S+ 0 0 63 68,-0.3 4,-3.1 -2,-0.2 5,-0.2 0.855 118.6 63.9 -71.8 -37.5 7.5 -11.5 36.9 66 69 A H H > S+ 0 0 122 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.862 109.8 38.2 -57.2 -41.4 8.9 -8.0 35.9 67 70 A S H > S+ 0 0 1 -5,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.831 114.7 55.1 -76.8 -35.5 12.5 -9.2 36.2 68 71 A L H X S+ 0 0 5 -4,-1.3 4,-1.8 1,-0.2 -2,-0.2 0.869 106.1 51.9 -63.5 -39.6 11.6 -12.6 34.7 69 72 A E H X S+ 0 0 80 -4,-3.1 4,-2.6 1,-0.2 -1,-0.2 0.861 107.9 52.4 -64.0 -38.3 10.1 -10.9 31.7 70 73 A R H X S+ 0 0 81 -4,-1.0 4,-2.1 -5,-0.2 -2,-0.2 0.856 107.5 50.9 -66.8 -38.2 13.3 -8.9 31.2 71 74 A I H X S+ 0 0 0 -4,-1.7 4,-1.0 2,-0.2 -2,-0.2 0.889 114.1 45.0 -65.3 -40.8 15.4 -12.1 31.2 72 75 A L H X S+ 0 0 13 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.902 112.4 50.9 -68.6 -43.7 13.1 -13.6 28.6 73 76 A N H X S+ 0 0 52 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.856 107.0 53.5 -63.8 -38.5 13.1 -10.5 26.5 74 77 A N H X S+ 0 0 46 -4,-2.1 4,-1.1 2,-0.2 -1,-0.2 0.809 108.9 50.3 -64.1 -32.3 16.9 -10.2 26.5 75 78 A A H <>S+ 0 0 0 -4,-1.0 5,-2.4 2,-0.2 -2,-0.2 0.818 112.0 47.6 -72.7 -34.2 16.9 -13.8 25.2 76 79 A F H ><5S+ 0 0 16 -4,-1.6 3,-0.8 3,-0.2 -2,-0.2 0.819 106.6 58.1 -73.4 -34.0 14.4 -12.9 22.5 77 80 A E H 3<5S+ 0 0 118 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.836 110.9 40.4 -67.4 -36.1 16.4 -9.7 21.5 78 81 A M T 3<5S- 0 0 5 -4,-1.1 -1,-0.2 -5,-0.1 -2,-0.2 0.297 117.7-114.0 -94.8 7.9 19.6 -11.7 20.7 79 82 A Q T < 5 - 0 0 153 -3,-0.8 2,-0.3 1,-0.2 -3,-0.2 0.969 43.8-175.6 58.0 64.1 17.6 -14.5 19.0 80 83 A L < - 0 0 3 -5,-2.4 -1,-0.2 4,-0.0 2,-0.1 -0.692 2.4-174.4 -86.2 141.8 18.1 -17.5 21.4 81 84 A N > - 0 0 62 -2,-0.3 3,-0.8 -56,-0.1 -1,-0.0 -0.389 46.5 -70.1-118.5-162.2 16.6 -20.8 20.4 82 85 A R T 3 S+ 0 0 169 1,-0.2 28,-0.3 -2,-0.1 -2,-0.0 0.645 130.3 52.5 -70.0 -15.9 16.3 -24.3 21.8 83 86 A H T 3 S+ 0 0 88 26,-0.1 -1,-0.2 2,-0.1 26,-0.0 0.630 92.1 102.3 -90.7 -17.3 20.0 -25.0 21.4 84 87 A S < - 0 0 1 -3,-0.8 26,-0.7 -60,-0.1 2,-0.3 -0.019 61.3-133.5 -70.2 170.1 21.0 -21.8 23.3 85 88 A L E -de 26 110A 7 -60,-2.3 -58,-1.8 24,-0.1 2,-0.4 -0.931 5.4-151.9-129.1 147.2 22.3 -21.4 26.9 86 89 A M E -de 27 111A 0 24,-1.6 26,-2.6 -2,-0.3 2,-0.5 -0.948 12.8-151.9-114.9 141.7 21.5 -19.1 29.9 87 90 A I E -de 28 112A 3 -60,-3.1 -58,-3.4 -2,-0.4 2,-0.7 -0.959 1.0-156.5-119.2 122.4 24.2 -18.3 32.6 88 91 A A E +de 29 113A 0 24,-2.7 26,-3.1 -2,-0.5 2,-0.6 -0.866 15.0 174.1-100.2 111.5 23.3 -17.5 36.2 89 92 A L E +de 30 114A 0 -60,-2.4 -58,-0.6 -2,-0.7 2,-0.3 -0.837 49.7 47.2-118.7 91.5 25.9 -15.5 38.0 90 93 A G E S- e 0 115A 1 24,-0.9 26,-1.5 -2,-0.6 27,-0.4 -0.971 86.2 -46.5 172.7-161.3 24.6 -14.5 41.4 91 94 A G S > S- 0 0 10 -2,-0.3 4,-1.9 24,-0.2 5,-0.1 0.221 74.7 -68.8 -79.9-156.6 22.9 -15.7 44.6 92 95 A G H > S+ 0 0 15 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.743 129.6 59.4 -71.1 -25.7 19.7 -17.8 45.1 93 96 A V H > S+ 0 0 31 2,-0.2 4,-1.3 1,-0.1 -1,-0.2 0.904 109.2 42.4 -68.7 -43.7 17.5 -15.1 43.7 94 97 A I H > S+ 0 0 6 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.938 113.3 51.4 -68.3 -49.0 19.3 -15.0 40.4 95 98 A S H X S+ 0 0 3 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.837 110.2 49.3 -59.3 -38.4 19.6 -18.8 40.0 96 99 A D H X S+ 0 0 19 -4,-1.5 35,-1.2 2,-0.2 4,-1.2 0.840 114.9 44.5 -70.2 -35.8 15.8 -19.3 40.7 97 100 A M H X S+ 0 0 1 -4,-1.3 4,-2.1 2,-0.2 -2,-0.2 0.916 117.3 43.1 -74.1 -46.4 14.9 -16.6 38.1 98 101 A V H X S+ 0 0 0 -4,-3.0 4,-2.6 2,-0.2 5,-0.2 0.900 114.2 51.8 -65.8 -43.1 17.3 -17.8 35.4 99 102 A G H X S+ 0 0 0 -4,-2.2 4,-1.0 -5,-0.3 -1,-0.2 0.838 114.1 43.1 -62.7 -36.6 16.4 -21.5 36.0 100 103 A F H X S+ 0 0 4 -4,-1.2 4,-0.9 2,-0.2 -1,-0.2 0.814 114.0 51.3 -78.1 -33.5 12.7 -20.8 35.7 101 104 A A H X S+ 0 0 0 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.861 111.1 47.9 -69.5 -37.7 13.2 -18.5 32.7 102 105 A S H < S+ 0 0 0 -4,-2.6 7,-2.7 1,-0.2 6,-0.2 0.781 107.3 56.9 -72.7 -29.3 15.3 -21.2 30.9 103 106 A S H < S+ 0 0 11 -4,-1.0 -1,-0.2 5,-0.3 -2,-0.2 0.765 116.0 35.1 -72.4 -27.3 12.7 -23.8 31.6 104 107 A I H >< S+ 0 0 9 -4,-0.9 349,-2.3 -3,-0.2 3,-1.6 0.686 92.1 99.4-100.4 -23.9 10.0 -21.9 29.9 105 108 A Y B >< S-I 452 0D 2 -4,-1.6 3,-1.4 1,-0.3 347,-0.2 -0.560 111.9 -12.8 -71.6 118.1 12.0 -20.3 27.0 106 109 A F T 3 S- 0 0 65 345,-2.8 -1,-0.3 -2,-0.5 346,-0.2 0.826 126.0 -65.4 52.9 37.0 11.4 -22.4 23.9 107 110 A R T < S- 0 0 46 -3,-1.6 348,-0.3 344,-0.3 -1,-0.2 0.687 117.7 -11.5 60.9 24.3 9.8 -25.0 26.2 108 111 A G < - 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0 0 120 -4,-0.4 -3,-0.2 1,-0.2 -4,-0.1 0.801 58.8 -71.6 59.8 35.1 7.2 -9.0 57.7 232 243 A Y T 3 - 0 0 41 -2,-0.2 4,-2.1 -73,-0.1 5,-0.2 -0.481 42.3 -97.7 -82.7 167.2 17.6 -12.8 56.7 237 248 A H H > S+ 0 0 79 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.879 126.4 45.3 -55.9 -43.0 16.4 -16.3 55.7 238 249 A G H > S+ 0 0 5 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.801 110.7 54.5 -70.0 -31.4 19.3 -18.0 57.5 239 250 A E H > S+ 0 0 13 2,-0.2 4,-1.0 -3,-0.2 -2,-0.2 0.839 109.0 46.7 -72.1 -36.2 18.9 -15.8 60.6 240 251 A A H X S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.816 112.0 51.0 -74.4 -33.8 15.2 -16.7 61.0 241 252 A I H X S+ 0 0 1 -4,-1.4 4,-2.7 -5,-0.2 -2,-0.2 0.827 102.7 61.6 -69.2 -33.4 16.1 -20.4 60.6 242 253 A A H X S+ 0 0 0 -4,-1.5 4,-1.0 2,-0.2 -2,-0.2 0.867 110.2 39.3 -59.9 -40.0 18.8 -20.0 63.2 243 254 A I H X S+ 0 0 4 -4,-1.0 4,-1.9 2,-0.2 -1,-0.2 0.855 114.3 55.9 -74.3 -38.4 16.1 -19.1 65.8 244 255 A G H X S+ 0 0 0 -4,-1.8 4,-1.6 -25,-0.2 -25,-0.3 0.816 104.3 52.2 -63.6 -35.1 13.8 -21.7 64.2 245 256 A M H X S+ 0 0 0 -4,-2.7 4,-1.6 -26,-0.2 -1,-0.2 0.865 109.6 49.8 -67.6 -38.6 16.3 -24.5 64.8 246 257 A R H X S+ 0 0 27 -4,-1.0 4,-1.3 2,-0.2 -2,-0.2 0.841 109.6 50.9 -68.0 -36.6 16.6 -23.4 68.5 247 258 A M H X S+ 0 0 23 -4,-1.9 4,-1.1 2,-0.2 -2,-0.2 0.840 111.6 48.0 -67.0 -36.0 12.8 -23.5 68.8 248 259 A A H X S+ 0 0 2 -4,-1.6 4,-1.8 1,-0.2 -2,-0.2 0.792 107.9 55.9 -72.2 -31.3 12.9 -27.0 67.3 249 260 A N H X S+ 0 0 2 -4,-1.6 4,-1.5 2,-0.2 -2,-0.2 0.794 103.1 55.0 -69.3 -31.2 15.7 -27.9 69.7 250 261 A D H X S+ 0 0 6 -4,-1.3 4,-1.3 2,-0.2 -1,-0.2 0.850 110.6 45.0 -68.8 -37.4 13.4 -26.9 72.7 251 262 A L H X S+ 0 0 5 -4,-1.1 4,-1.1 2,-0.2 -2,-0.2 0.836 113.1 50.2 -74.5 -35.7 10.7 -29.3 71.5 252 263 A A H X>S+ 0 0 0 -4,-1.8 5,-2.0 2,-0.2 6,-1.9 0.789 109.8 51.2 -72.7 -30.0 13.3 -32.1 70.9 253 264 A L H <5S+ 0 0 41 -4,-1.5 -2,-0.2 4,-0.2 -1,-0.2 0.848 109.1 50.5 -73.0 -37.0 14.7 -31.6 74.3 254 265 A S H <5S+ 0 0 74 -4,-1.3 -2,-0.2 1,-0.2 -1,-0.2 0.761 112.2 47.0 -72.9 -27.4 11.3 -31.8 76.0 255 266 A L H <5S- 0 0 83 -4,-1.1 -1,-0.2 -5,-0.1 -2,-0.2 0.640 115.8-112.8 -87.4 -17.8 10.4 -35.1 74.1 256 267 A G T <5S+ 0 0 57 -4,-0.8 -3,-0.2 2,-0.2 -4,-0.1 0.549 85.3 119.0 94.3 11.1 13.8 -36.7 74.9 257 268 A M S - 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