==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 07-FEB-12 4DMH . COMPND 2 MOLECULE: PUTATIVE HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR C.D.BAHL,D.R.MADDEN . 1186 4 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39184.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 816 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 120 10.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 67 5.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 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 . 46 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 198 16.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 354 29.8 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+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 9 3 10 3 0 3 0 12 6 2 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 4 8 4 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 . 2 2 0 0 4 0 3 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 . 2 0 0 0 0 0 4 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 25 A A 0 0 135 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 146.1 -16.2 -15.1 8.3 2 26 A E - 0 0 81 1,-0.1 4,-0.0 4,-0.0 10,-0.0 -0.985 360.0-157.6-123.6 129.2 -15.1 -13.4 11.5 3 27 A E S S+ 0 0 50 -2,-0.4 -1,-0.1 1,-0.1 198,-0.1 0.785 85.7 28.2 -72.4 -28.6 -15.3 -9.6 11.9 4 28 A F S S- 0 0 2 197,-0.0 2,-0.2 194,-0.0 -1,-0.1 -0.975 96.3 -93.5-134.2 149.8 -12.6 -9.8 14.7 5 29 A P - 0 0 29 0, 0.0 962,-0.1 0, 0.0 3,-0.0 -0.422 38.2-133.6 -64.5 122.2 -9.7 -12.2 15.5 6 30 A V - 0 0 36 -2,-0.2 3,-0.1 1,-0.1 6,-0.1 -0.569 27.5-110.3 -74.3 134.7 -10.8 -14.9 17.9 7 31 A P > - 0 0 19 0, 0.0 3,-2.2 0, 0.0 -1,-0.1 -0.363 45.1 -84.6 -64.8 149.1 -8.3 -15.4 20.7 8 32 A N T 3 S+ 0 0 136 1,-0.3 3,-0.1 -3,-0.0 965,-0.0 -0.287 118.0 21.5 -51.6 128.0 -6.3 -18.7 20.6 9 33 A G T 3 S+ 0 0 68 1,-0.4 19,-0.5 -3,-0.1 2,-0.3 0.441 103.2 106.7 91.2 -0.2 -8.3 -21.5 22.2 10 34 A F < - 0 0 27 -3,-2.2 2,-0.4 17,-0.1 -1,-0.4 -0.764 57.5-143.6-106.9 155.7 -11.7 -19.7 21.8 11 35 A E E -A 26 0A 101 15,-2.5 15,-2.3 -2,-0.3 2,-0.5 -0.940 5.7-142.4-118.1 144.8 -14.4 -20.6 19.3 12 36 A S E +A 25 0A 30 -2,-0.4 2,-0.3 13,-0.2 13,-0.2 -0.921 41.5 150.3-101.1 126.1 -16.7 -18.3 17.4 13 37 A A E -A 24 0A 19 11,-2.6 11,-2.3 -2,-0.5 2,-0.3 -0.866 35.8-124.0-146.7 177.1 -20.2 -19.8 17.2 14 38 A Y E -A 23 0A 97 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.971 11.7-166.3-132.7 150.4 -23.9 -19.0 17.0 15 39 A R E -A 22 0A 101 7,-2.2 7,-2.7 -2,-0.3 2,-0.5 -0.992 20.0-134.5-137.5 126.2 -27.0 -19.9 19.1 16 40 A E E +A 21 0A 90 -2,-0.4 2,-0.4 5,-0.2 5,-0.2 -0.692 28.1 180.0 -78.3 123.3 -30.6 -19.4 18.0 17 41 A V E > -A 20 0A 7 3,-2.7 3,-1.6 -2,-0.5 72,-0.1 -0.974 68.0 -23.2-131.2 115.9 -32.5 -17.9 20.9 18 42 A D T 3 S- 0 0 82 -2,-0.4 56,-0.2 1,-0.3 -1,-0.1 0.906 129.4 -47.1 47.8 47.7 -36.2 -17.2 20.5 19 43 A G T 3 S+ 0 0 30 1,-0.2 2,-0.5 54,-0.1 -1,-0.3 0.496 118.6 110.0 79.9 3.6 -35.9 -17.0 16.7 20 44 A V E < -A 17 0A 0 -3,-1.6 -3,-2.7 51,-0.0 2,-0.7 -0.954 63.7-137.7-119.3 123.2 -32.8 -14.8 16.8 21 45 A K E -A 16 0A 82 -2,-0.5 50,-2.8 -5,-0.2 2,-0.4 -0.687 23.9-165.3 -80.7 112.4 -29.3 -16.0 15.9 22 46 A L E -A 15 0A 0 -7,-2.7 -7,-2.2 -2,-0.7 2,-0.3 -0.840 9.3-143.7-100.4 133.8 -26.8 -14.6 18.4 23 47 A H E +A 14 0A 0 -2,-0.4 40,-2.6 40,-0.3 2,-0.3 -0.712 28.3 164.8 -90.3 145.7 -23.1 -14.7 17.7 24 48 A Y E -AB 13 62A 17 -11,-2.3 -11,-2.6 -2,-0.3 2,-0.4 -0.981 32.8-134.6-153.6 161.8 -20.7 -15.3 20.6 25 49 A V E -AB 12 61A 0 36,-1.7 36,-2.5 -2,-0.3 2,-0.3 -0.987 29.8-175.2-119.3 132.8 -17.1 -16.2 21.4 26 50 A K E +AB 11 60A 44 -15,-2.3 -15,-2.5 -2,-0.4 2,-0.3 -0.960 13.1 142.1-134.8 144.6 -16.5 -18.9 24.0 27 51 A G E + B 0 59A 6 32,-2.0 32,-3.5 -2,-0.3 -17,-0.1 -0.983 32.5 44.5-167.6 166.7 -13.6 -20.4 25.8 28 52 A G E - B 0 58A 32 -19,-0.5 2,-0.3 -2,-0.3 30,-0.3 -0.230 64.8 -92.1 88.7-175.1 -12.2 -21.8 29.0 29 53 A Q + 0 0 129 25,-1.0 268,-0.3 28,-0.7 -2,-0.0 -0.975 69.3 43.8-143.9 152.4 -13.5 -24.1 31.8 30 54 A G S S+ 0 0 35 -2,-0.3 28,-0.2 27,-0.2 27,-0.2 -0.697 95.2 0.5 112.6-167.0 -15.4 -23.7 35.1 31 55 A P S S- 0 0 55 0, 0.0 27,-2.4 0, 0.0 2,-0.3 -0.189 84.9 -99.5 -52.6 150.9 -18.3 -21.6 36.2 32 56 A L E -c 58 0A 5 66,-0.3 68,-2.8 25,-0.2 2,-0.4 -0.560 34.9-174.8 -80.8 134.3 -19.8 -19.4 33.4 33 57 A V E -cd 59 100A 0 25,-2.7 27,-2.6 -2,-0.3 2,-0.5 -0.995 9.2-159.0-122.7 125.2 -19.0 -15.7 33.1 34 58 A M E -cd 60 101A 0 66,-2.6 68,-2.7 -2,-0.4 2,-0.5 -0.898 3.1-160.9-103.0 129.9 -20.9 -13.7 30.4 35 59 A L E - d 0 102A 0 25,-2.5 2,-0.5 -2,-0.5 68,-0.2 -0.945 5.6-162.6-112.5 126.2 -19.3 -10.4 29.2 36 60 A V E - d 0 103A 0 66,-2.9 68,-2.2 -2,-0.5 71,-0.2 -0.942 4.1-154.3-120.8 115.7 -21.6 -7.9 27.4 37 61 A H - 0 0 0 25,-0.6 2,-0.1 -2,-0.5 6,-0.1 -0.101 10.3-145.7 -74.1 175.5 -20.2 -5.1 25.3 38 62 A G > - 0 0 0 1,-0.2 3,-1.4 4,-0.2 67,-0.1 -0.405 41.0 -25.3-127.1-155.2 -21.9 -1.8 24.5 39 63 A F T 3 S+ 0 0 0 1,-0.2 -1,-0.2 -2,-0.1 3,-0.1 -0.225 119.5 17.7 -64.8 143.5 -22.3 0.8 21.8 40 64 A G T 3 S+ 0 0 4 1,-0.3 -1,-0.2 -3,-0.1 2,-0.2 0.365 120.3 65.5 84.6 -4.6 -19.7 1.3 19.1 41 65 A Q < - 0 0 6 -3,-1.4 -1,-0.3 160,-0.1 2,-0.2 -0.635 60.7-150.2-137.8-171.6 -18.2 -2.1 19.9 42 66 A T > - 0 0 2 -2,-0.2 3,-2.1 -3,-0.1 4,-0.3 -0.784 57.9 -60.1-147.4-172.3 -18.7 -5.8 19.9 43 67 A W G > S+ 0 0 0 1,-0.3 3,-2.2 -2,-0.2 4,-0.1 0.800 119.5 79.9 -45.5 -30.6 -17.6 -8.9 21.8 44 68 A Y G > S+ 0 0 18 1,-0.3 3,-2.0 2,-0.2 -1,-0.3 0.692 71.0 73.9 -61.0 -22.1 -14.1 -7.9 20.8 45 69 A E G < S+ 0 0 2 -3,-2.1 3,-0.4 1,-0.3 -1,-0.3 0.795 98.6 50.7 -61.5 -22.7 -13.7 -5.2 23.4 46 70 A W G X> S+ 0 0 0 -3,-2.2 4,-2.5 -4,-0.3 3,-0.5 0.371 77.7 106.8 -90.3 1.9 -13.3 -8.1 25.9 47 71 A H T <4 S+ 0 0 22 -3,-2.0 -1,-0.2 1,-0.3 -2,-0.1 0.715 80.3 46.0 -65.0 -21.7 -10.6 -9.9 23.9 48 72 A Q T 34 S+ 0 0 36 -3,-0.4 4,-0.5 -4,-0.2 -1,-0.3 0.789 116.4 44.7 -86.2 -30.9 -7.7 -9.0 26.2 49 73 A L T <> S+ 0 0 3 -3,-0.5 4,-2.1 -4,-0.2 3,-0.3 0.819 100.5 72.1 -76.7 -33.5 -9.6 -9.9 29.4 50 74 A M H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.873 92.3 50.3 -57.4 -48.1 -11.0 -13.2 28.0 51 75 A P H 4 S+ 0 0 50 0, 0.0 4,-0.4 0, 0.0 -1,-0.2 0.898 112.4 49.8 -61.1 -38.3 -7.9 -15.4 28.0 52 76 A E H >4 S+ 0 0 45 -4,-0.5 3,-1.1 -3,-0.3 4,-0.3 0.939 113.5 43.9 -63.9 -48.0 -7.2 -14.5 31.6 53 77 A L H >X S+ 0 0 1 -4,-2.1 4,-2.8 1,-0.2 3,-2.2 0.857 103.5 66.3 -63.0 -35.7 -10.7 -15.2 32.8 54 78 A A T 3< S+ 0 0 16 -4,-2.6 -25,-1.0 1,-0.3 -1,-0.2 0.628 87.6 69.0 -66.8 -12.1 -10.8 -18.5 30.8 55 79 A K T <4 S+ 0 0 108 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.2 0.741 120.4 17.0 -72.4 -23.1 -8.0 -19.8 33.0 56 80 A R T <4 S+ 0 0 87 -3,-2.2 241,-3.1 -4,-0.3 2,-0.3 0.575 128.9 35.4-121.6 -20.4 -10.6 -19.9 35.8 57 81 A F S < S- 0 0 0 -4,-2.8 -28,-0.7 -27,-0.2 2,-0.6 -0.879 76.6-107.6-133.8 160.6 -14.0 -19.7 34.1 58 82 A T E -Bc 28 32A 23 -27,-2.4 -25,-2.7 -2,-0.3 2,-0.5 -0.855 48.7-155.5 -80.2 122.7 -16.0 -20.7 31.1 59 83 A V E -Bc 27 33A 0 -32,-3.5 -32,-2.0 -2,-0.6 2,-0.4 -0.904 18.2-179.0-113.3 129.0 -16.2 -17.3 29.3 60 84 A I E -Bc 26 34A 0 -27,-2.6 -25,-2.5 -2,-0.5 -34,-0.2 -0.993 4.8-176.1-126.3 131.5 -18.8 -16.3 26.8 61 85 A A E -B 25 0A 0 -36,-2.5 -36,-1.7 -2,-0.4 2,-0.2 -0.908 13.3-168.4-127.7 102.7 -18.9 -12.9 25.0 62 86 A P E -B 24 0A 0 0, 0.0 -25,-0.6 0, 0.0 2,-0.5 -0.522 23.8-118.5 -87.9 156.9 -22.0 -12.4 22.8 63 87 A D - 0 0 0 -40,-2.6 -40,-0.3 -2,-0.2 3,-0.1 -0.808 39.7-110.1 -84.7 133.3 -22.7 -9.7 20.3 64 88 A L > - 0 0 0 -2,-0.5 3,-2.4 1,-0.1 6,-0.4 -0.314 52.0 -76.8 -59.1 146.7 -25.8 -7.7 21.2 65 89 A P T 3 S+ 0 0 0 0, 0.0 6,-0.2 0, 0.0 -1,-0.1 -0.214 120.5 9.9 -50.6 129.0 -28.7 -8.3 19.0 66 90 A G T 3 S+ 0 0 0 4,-0.6 144,-0.2 5,-0.6 2,-0.2 0.085 114.1 94.0 89.1 -20.8 -28.2 -6.4 15.7 67 91 A L S X S- 0 0 4 -3,-2.4 3,-2.4 4,-0.2 -1,-0.3 -0.607 88.7 -8.1-102.4 163.0 -24.6 -5.6 16.5 68 92 A G T 3 S- 0 0 2 1,-0.3 136,-0.1 -2,-0.2 -26,-0.0 -0.289 131.3 -28.9 50.2-129.5 -21.5 -7.5 15.5 69 93 A Q T 3 S+ 0 0 29 2,-0.1 2,-0.4 -46,-0.0 -1,-0.3 0.155 110.3 110.3-103.4 18.2 -22.5 -10.8 14.0 70 94 A S < - 0 0 1 -3,-2.4 -4,-0.6 -6,-0.4 -48,-0.2 -0.750 69.8-115.7 -93.3 140.7 -25.9 -11.1 15.9 71 95 A E - 0 0 74 -50,-2.8 -5,-0.6 -2,-0.4 -4,-0.2 -0.345 40.6 -94.3 -63.2 149.8 -29.3 -10.8 14.2 72 96 A P - 0 0 47 0, 0.0 -6,-0.2 0, 0.0 -51,-0.1 -0.259 50.7 -91.9 -57.9 154.0 -31.5 -7.9 15.3 73 97 A P - 0 0 15 0, 0.0 4,-0.1 0, 0.0 9,-0.1 -0.361 24.2-149.5 -68.4 151.0 -34.1 -8.7 18.0 74 98 A K S S+ 0 0 143 -56,-0.2 3,-0.1 2,-0.1 -55,-0.0 0.689 93.1 42.0 -92.2 -24.4 -37.5 -9.9 16.9 75 99 A T S S- 0 0 89 1,-0.3 2,-0.3 6,-0.1 7,-0.1 0.951 118.0 -73.7 -85.2 -65.8 -39.4 -8.4 19.9 76 100 A G - 0 0 13 2,-0.1 -1,-0.3 3,-0.0 -2,-0.1 -0.975 30.4 -98.1-179.4-177.4 -37.8 -5.0 20.5 77 101 A Y S S+ 0 0 32 -2,-0.3 140,-0.2 136,-0.2 144,-0.1 0.318 72.3 119.8-107.5 5.5 -34.8 -3.1 21.7 78 102 A S S > S- 0 0 0 1,-0.1 4,-2.5 138,-0.1 5,-0.3 -0.374 77.0-109.8 -69.4 154.9 -35.9 -2.1 25.2 79 103 A G H > S+ 0 0 0 138,-0.3 4,-2.3 1,-0.2 35,-0.2 0.861 117.5 51.0 -54.2 -40.8 -33.8 -3.4 28.1 80 104 A E H > S+ 0 0 56 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.896 112.5 46.1 -66.6 -39.8 -36.4 -5.9 29.2 81 105 A Q H > S+ 0 0 53 -3,-0.3 4,-0.8 1,-0.2 3,-0.3 0.911 116.1 43.5 -68.3 -45.4 -36.9 -7.4 25.7 82 106 A V H >X S+ 0 0 0 -4,-2.5 4,-1.6 1,-0.2 3,-0.6 0.868 105.1 64.0 -71.0 -34.7 -33.2 -7.7 24.9 83 107 A A H 3X S+ 0 0 1 -4,-2.3 4,-3.0 -5,-0.3 5,-0.3 0.825 93.6 62.9 -60.9 -30.9 -32.3 -9.1 28.4 84 108 A V H 3X S+ 0 0 51 -4,-0.9 4,-2.4 -3,-0.3 -1,-0.3 0.923 103.0 48.6 -59.4 -43.7 -34.5 -12.1 27.6 85 109 A Y H X S+ 0 0 0 -4,-2.1 3,-1.0 -5,-0.2 4,-1.0 0.973 111.4 46.0 -61.8 -53.2 -28.3 -17.6 26.0 90 114 A A H >X S+ 0 0 0 -4,-2.8 4,-1.4 1,-0.2 3,-0.9 0.915 110.2 55.2 -53.9 -43.8 -26.4 -17.7 29.3 91 115 A R H 3< S+ 0 0 60 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.699 96.2 64.1 -70.7 -18.6 -28.7 -20.3 30.7 92 116 A Q H << S+ 0 0 94 -4,-1.2 -1,-0.3 -3,-1.0 -2,-0.2 0.863 112.8 36.5 -64.4 -35.3 -28.1 -22.7 27.7 93 117 A F H << S+ 0 0 60 -4,-1.0 -2,-0.2 -3,-0.9 -1,-0.2 0.660 131.4 29.9 -92.6 -18.5 -24.5 -22.9 28.9 94 118 A S < + 0 0 13 -4,-1.4 3,-0.4 -5,-0.2 -1,-0.2 -0.473 68.4 150.8-138.2 65.0 -25.3 -22.8 32.6 95 119 A P S S+ 0 0 67 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.708 78.0 33.5 -73.7 -19.6 -28.7 -24.4 33.1 96 120 A D S S+ 0 0 143 1,-0.1 -5,-0.0 2,-0.1 -2,-0.0 0.370 115.8 49.3-118.8 1.3 -28.1 -25.7 36.6 97 121 A R S S- 0 0 143 -3,-0.4 -1,-0.1 -6,-0.1 -65,-0.1 -0.987 83.5-103.4-142.4 148.5 -25.8 -23.1 38.2 98 122 A P - 0 0 42 0, 0.0 -66,-0.3 0, 0.0 2,-0.3 -0.340 37.6-148.9 -66.5 155.2 -25.7 -19.3 38.6 99 123 A F E - e 0 122A 1 22,-2.9 24,-2.0 -68,-0.1 25,-0.4 -0.815 12.1-111.9-122.3 164.3 -23.3 -17.4 36.3 100 124 A D E -d 33 0A 7 -68,-2.8 -66,-2.6 -2,-0.3 2,-0.4 -0.663 26.8-151.4 -93.4 152.8 -21.3 -14.2 36.6 101 125 A L E -de 34 125A 0 23,-2.1 25,-2.9 -2,-0.2 2,-0.4 -0.990 15.1-179.9-130.2 128.7 -22.1 -11.1 34.6 102 126 A V E +de 35 126A 0 -68,-2.7 -66,-2.9 -2,-0.4 2,-0.4 -0.996 15.7 175.3-120.7 128.2 -19.8 -8.3 33.4 103 127 A A E -de 36 127A 0 23,-2.4 25,-2.1 -2,-0.4 2,-0.4 -0.994 12.5-166.9-140.7 145.3 -21.4 -5.5 31.3 104 128 A H E > - e 0 128A 0 -68,-2.2 3,-2.3 -2,-0.4 25,-0.2 -0.965 57.2 -26.7-130.1 137.7 -20.2 -2.2 29.9 105 129 A D T >> S- 0 0 13 23,-1.8 3,-2.4 -2,-0.4 4,-0.6 -0.241 134.6 -0.8 61.9-137.6 -22.1 0.7 28.4 106 130 A I H 3> S+ 0 0 1 1,-0.3 4,-2.1 2,-0.2 -1,-0.3 0.624 118.3 82.5 -69.5 -6.1 -25.4 -0.3 26.9 107 131 A G H <4 S+ 0 0 0 -3,-2.3 -1,-0.3 1,-0.2 4,-0.3 0.833 89.9 54.8 -56.3 -31.7 -24.6 -3.8 27.9 108 132 A I H X> S+ 0 0 0 -3,-2.4 4,-2.7 2,-0.2 3,-1.5 0.945 105.2 49.5 -64.6 -50.8 -25.9 -2.6 31.3 109 133 A W H 3< S+ 0 0 7 -4,-0.6 -2,-0.2 1,-0.3 -1,-0.2 0.886 112.7 49.5 -54.0 -40.6 -29.2 -1.5 29.8 110 134 A N T 3< S+ 0 0 1 -4,-2.1 -1,-0.3 1,-0.2 -24,-0.2 0.424 119.4 34.1 -86.5 1.1 -29.6 -4.8 28.1 111 135 A T T <> S+ 0 0 0 -3,-1.5 4,-2.0 -4,-0.3 3,-0.5 0.616 91.6 83.7-123.3 -26.3 -28.9 -7.0 31.2 112 136 A Y H X S+ 0 0 1 -4,-2.7 4,-2.5 1,-0.2 5,-0.3 0.903 91.8 51.4 -52.9 -47.2 -30.3 -5.1 34.2 113 137 A P H > S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.897 110.3 47.9 -58.5 -39.3 -33.8 -6.5 33.8 114 138 A M H > S+ 0 0 4 -3,-0.5 4,-0.9 -35,-0.2 -2,-0.2 0.827 111.9 52.0 -74.1 -24.9 -32.7 -10.1 33.5 115 139 A V H < S+ 0 0 0 -4,-2.0 3,-0.4 -3,-0.2 -1,-0.2 0.953 113.2 41.9 -68.9 -49.5 -30.6 -9.7 36.6 116 140 A V H >< S+ 0 0 14 -4,-2.5 3,-0.5 1,-0.2 -2,-0.2 0.842 117.8 47.1 -70.5 -31.2 -33.3 -8.2 38.8 117 141 A K H 3< S+ 0 0 94 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.628 123.6 31.9 -85.3 -13.6 -35.9 -10.7 37.5 118 142 A N T >< + 0 0 50 -4,-0.9 3,-2.1 -3,-0.4 4,-0.4 -0.352 68.5 156.1-136.6 54.5 -33.7 -13.8 37.9 119 143 A Q G X S+ 0 0 39 -3,-0.5 3,-1.4 1,-0.3 -1,-0.1 0.824 71.4 59.9 -58.3 -34.3 -31.5 -12.9 40.9 120 144 A A G 3 S+ 0 0 88 1,-0.3 -1,-0.3 -3,-0.1 -5,-0.1 0.715 99.8 58.5 -66.9 -18.8 -30.8 -16.6 41.8 121 145 A D G < S+ 0 0 24 -3,-2.1 -22,-2.9 -6,-0.2 2,-0.6 0.565 94.7 74.2 -84.6 -10.1 -29.2 -17.1 38.3 122 146 A I E < +e 99 0A 4 -3,-1.4 -22,-0.2 -4,-0.4 3,-0.1 -0.898 51.9 176.7-112.9 108.8 -26.6 -14.3 38.9 123 147 A A E S- 0 0 38 -24,-2.0 2,-0.3 -2,-0.6 -23,-0.2 0.968 72.6 -1.7 -72.8 -54.5 -23.7 -15.2 41.3 124 148 A R E - 0 0 30 -25,-0.4 -23,-2.1 111,-0.1 2,-0.4 -0.965 66.9-152.2-141.4 153.0 -21.7 -12.0 41.0 125 149 A L E -ef 101 237A 0 111,-2.0 113,-2.3 -2,-0.3 2,-0.4 -0.987 8.7-173.2-135.2 131.7 -22.2 -8.8 38.9 126 150 A V E -ef 102 238A 0 -25,-2.9 -23,-2.4 -2,-0.4 2,-0.4 -0.983 9.6-177.9-125.6 121.0 -19.8 -6.2 37.5 127 151 A Y E -ef 103 239A 0 111,-2.3 113,-1.9 -2,-0.4 2,-0.4 -0.946 5.7-178.6-116.9 136.8 -21.1 -3.1 35.8 128 152 A M E -ef 104 240A 0 -25,-2.1 -23,-1.8 -2,-0.4 113,-0.2 -0.994 49.0 -6.9-141.0 134.4 -19.0 -0.4 34.2 129 153 A E S S+ 0 0 0 111,-1.6 -24,-0.3 -2,-0.4 -1,-0.1 0.897 97.4 77.8 59.7 58.6 -19.4 2.9 32.5 130 154 A A S S- 0 0 4 -26,-0.1 2,-0.2 -3,-0.1 -1,-0.1 -0.731 71.8-113.1 178.6 142.7 -23.1 3.5 32.0 131 155 A P - 0 0 5 0, 0.0 -22,-0.1 0, 0.0 121,-0.1 -0.573 33.8-117.0 -73.4 142.1 -26.1 4.6 33.9 132 156 A I - 0 0 1 -2,-0.2 2,-0.4 120,-0.1 5,-0.2 -0.666 50.2 -94.6 -65.9 134.9 -28.9 2.1 34.5 133 157 A P S S+ 0 0 0 0, 0.0 2,-0.3 0, 0.0 92,-0.1 -0.450 79.4 114.9 -61.5 114.5 -31.8 3.6 32.6 134 158 A D S > S- 0 0 12 -2,-0.4 3,-1.9 91,-0.1 4,-0.3 -0.907 82.3 -63.7-160.4-171.8 -33.9 5.6 35.2 135 159 A A G > S+ 0 0 52 1,-0.3 3,-1.6 -2,-0.3 4,-0.2 0.720 117.1 75.1 -58.0 -25.9 -34.9 9.2 36.0 136 160 A R G > S+ 0 0 73 1,-0.3 3,-1.9 2,-0.2 4,-0.4 0.804 83.1 67.2 -56.7 -31.4 -31.3 10.2 36.7 137 161 A I G X S+ 0 0 1 -3,-1.9 3,-0.7 1,-0.3 -1,-0.3 0.758 90.7 63.0 -64.8 -21.6 -30.6 10.3 32.9 138 162 A Y G < S+ 0 0 52 -3,-1.6 -1,-0.3 -4,-0.3 -2,-0.2 0.479 98.0 58.3 -79.8 -2.2 -33.0 13.3 32.5 139 163 A R G < S+ 0 0 181 -3,-1.9 -1,-0.2 -4,-0.2 -2,-0.2 0.515 75.4 109.4-103.6 -10.0 -30.6 15.3 34.7 140 164 A F S < S- 0 0 23 -3,-0.7 300,-2.7 -4,-0.4 301,-0.4 -0.471 76.1-109.8 -65.7 139.5 -27.5 15.0 32.7 141 165 A P B -H 439 0B 41 0, 0.0 10,-0.5 0, 0.0 9,-0.2 -0.428 10.0-144.4 -75.4 145.2 -26.6 18.4 31.0 142 166 A A S S+ 0 0 0 296,-3.2 2,-0.3 293,-0.2 311,-0.3 0.733 88.4 19.7 -73.5 -26.4 -26.9 19.0 27.2 143 167 A F S S- 0 0 9 295,-0.4 2,-0.3 292,-0.3 -1,-0.2 -0.993 72.5-152.2-152.5 134.1 -23.8 21.2 27.2 144 168 A T - 0 0 30 -2,-0.3 5,-0.1 3,-0.2 373,-0.1 -0.779 21.6-132.3-116.3 157.9 -20.9 21.7 29.6 145 169 A A S S+ 0 0 50 -2,-0.3 2,-0.3 1,-0.1 731,-0.1 0.832 97.8 26.0 -72.6 -34.8 -18.6 24.6 30.5 146 170 A Q S S- 0 0 74 728,-0.1 -1,-0.1 729,-0.1 728,-0.1 -0.942 124.3 -9.2-130.0 150.5 -15.5 22.4 30.2 147 171 A G S S- 0 0 15 726,-0.4 2,-0.3 -2,-0.3 -3,-0.2 -0.340 100.8 -57.6 59.6-140.9 -15.0 19.2 28.2 148 172 A E - 0 0 38 34,-0.1 98,-0.1 -5,-0.1 -5,-0.1 -0.967 51.0 -89.0-140.6 152.5 -18.2 17.9 26.6 149 173 A S - 0 0 4 -2,-0.3 3,-0.3 -7,-0.3 4,-0.2 -0.363 34.2-143.2 -57.3 133.1 -21.6 16.7 27.6 150 174 A L S S+ 0 0 65 1,-0.2 3,-0.2 -9,-0.2 -1,-0.1 0.834 89.6 24.2 -71.3 -32.6 -21.5 13.0 28.3 151 175 A V S > S+ 0 0 6 -10,-0.5 3,-2.0 1,-0.1 4,-0.5 0.185 74.4 115.8-128.9 21.7 -24.9 12.0 26.9 152 176 A W T >> S+ 0 0 11 -3,-0.3 4,-1.4 1,-0.3 3,-0.9 0.815 74.5 69.9 -59.4 -27.8 -26.0 14.5 24.3 153 177 A H H 3> S+ 0 0 22 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.741 81.0 74.3 -63.6 -21.4 -25.8 11.7 21.9 154 178 A F H <> S+ 0 0 7 -3,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.940 102.1 40.7 -53.1 -46.9 -28.9 10.1 23.6 155 179 A S H <> S+ 0 0 0 -3,-0.9 4,-1.2 -4,-0.5 -2,-0.2 0.903 114.3 52.1 -69.4 -42.8 -31.0 12.7 21.9 156 180 A F H < S+ 0 0 0 -4,-1.4 8,-0.5 1,-0.2 3,-0.5 0.941 115.0 42.0 -55.3 -50.6 -29.1 12.5 18.5 157 181 A F H < S+ 0 0 0 -4,-3.1 59,-0.2 1,-0.2 -1,-0.2 0.821 116.0 48.7 -72.2 -31.3 -29.6 8.8 18.4 158 182 A A H < S+ 0 0 14 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.617 84.7 122.1 -84.4 -11.5 -33.2 8.8 19.6 159 183 A A < - 0 0 2 -4,-1.2 4,-0.4 -3,-0.5 3,-0.4 -0.133 63.0-115.2 -55.2 146.1 -34.3 11.5 17.1 160 184 A D S > S+ 0 0 119 1,-0.2 3,-1.4 2,-0.2 4,-0.1 -0.015 91.2 49.2 -65.6 177.1 -37.1 10.8 14.7 161 185 A D T 3 S- 0 0 101 1,-0.3 -1,-0.2 2,-0.1 5,-0.1 0.664 122.4 -81.9 66.4 17.4 -36.8 10.6 10.9 162 186 A R T 3> S+ 0 0 127 -3,-0.4 4,-2.3 -4,-0.1 -1,-0.3 0.915 75.9 166.8 50.2 45.7 -33.8 8.3 11.2 163 187 A L H <> + 0 0 0 -3,-1.4 4,-2.1 -4,-0.4 5,-0.2 0.950 67.8 44.1 -57.0 -52.3 -31.8 11.4 11.7 164 188 A A H > S+ 0 0 0 -8,-0.5 4,-2.6 -5,-0.3 5,-0.3 0.916 115.0 46.1 -63.6 -45.8 -28.6 9.7 13.0 165 189 A E H > S+ 0 0 2 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.884 112.0 53.1 -63.0 -38.8 -28.5 6.9 10.3 166 190 A T H < S+ 0 0 44 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.910 116.2 37.6 -65.8 -40.6 -29.1 9.3 7.6 167 191 A L H < S+ 0 0 0 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.856 122.4 42.4 -76.7 -35.6 -26.3 11.6 8.6 168 192 A I H >< S+ 0 0 0 -4,-2.6 3,-2.9 -5,-0.2 7,-0.2 0.741 82.3 110.4 -88.4 -24.4 -23.8 8.9 9.6 169 193 A A T 3< S+ 0 0 47 -4,-2.4 34,-0.1 1,-0.3 -4,-0.0 -0.262 91.3 14.3 -53.8 132.0 -24.4 6.4 6.8 170 194 A G T 3 S+ 0 0 67 33,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.273 123.6 66.5 83.4 -11.9 -21.3 6.3 4.6 171 195 A K <> + 0 0 62 -3,-2.9 4,-2.7 1,-0.1 5,-0.2 -0.042 58.4 121.8-129.7 29.4 -19.3 8.2 7.3 172 196 A E H > S+ 0 0 31 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.864 74.1 51.9 -62.4 -40.1 -19.3 5.5 10.0 173 197 A R H > S+ 0 0 58 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.904 113.2 44.1 -68.4 -41.8 -15.5 5.3 10.2 174 198 A F H > S+ 0 0 61 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.941 116.1 47.9 -64.2 -47.1 -15.2 9.1 10.7 175 199 A F H X S+ 0 0 3 -4,-2.7 4,-2.9 1,-0.2 5,-0.2 0.915 110.3 50.2 -64.7 -42.2 -18.0 9.2 13.2 176 200 A L H X S+ 0 0 0 -4,-2.8 4,-3.0 2,-0.2 5,-0.3 0.902 108.3 52.2 -67.2 -39.5 -16.8 6.3 15.3 177 201 A E H X S+ 0 0 40 -4,-1.7 4,-2.2 -5,-0.2 5,-0.3 0.942 114.4 43.5 -60.3 -45.3 -13.3 7.7 15.6 178 202 A H H X S+ 0 0 6 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.947 115.8 47.7 -62.5 -49.1 -14.7 11.0 16.8 179 203 A F H X S+ 0 0 22 -4,-2.9 4,-0.7 -5,-0.2 -2,-0.2 0.937 116.8 41.8 -59.3 -48.7 -17.2 9.4 19.1 180 204 A I H >< S+ 0 0 0 -4,-3.0 3,-1.2 -5,-0.2 93,-0.2 0.974 117.3 45.1 -67.0 -53.1 -14.8 7.0 20.7 181 205 A K H >< S+ 0 0 25 -4,-2.2 3,-1.5 -5,-0.3 -1,-0.2 0.842 107.6 57.5 -62.8 -33.9 -11.9 9.4 21.1 182 206 A S H 3< S+ 0 0 14 -4,-2.4 -1,-0.3 -5,-0.3 -2,-0.2 0.714 110.0 46.1 -71.0 -16.4 -14.0 12.2 22.5 183 207 A A T << S+ 0 0 19 -3,-1.2 90,-2.8 -4,-0.7 91,-0.3 0.199 102.6 90.0-106.0 13.4 -15.1 9.9 25.3 184 208 A A < - 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0 0 0 -4,-1.4 5,-0.3 -3,-0.3 4,-0.3 -0.172 63.5-128.4 -55.9 147.1 -18.0 19.4 18.7 458 184 B D S > S+ 0 0 3 1,-0.2 3,-1.7 2,-0.2 328,-0.1 0.046 83.4 66.9 -83.3-163.0 -14.5 19.4 17.1 459 185 B D T 3 S- 0 0 40 326,-0.4 -1,-0.2 1,-0.3 5,-0.1 0.686 122.1 -84.4 58.5 19.5 -13.3 17.4 14.1 460 186 B R T 3> S+ 0 0 91 -3,-0.2 4,-2.4 -4,-0.1 -1,-0.3 0.915 76.9 168.0 48.1 44.4 -15.8 19.5 12.1 461 187 B L H <> + 0 0 0 -3,-1.7 4,-2.3 -4,-0.3 5,-0.2 0.924 67.9 43.4 -54.5 -51.8 -18.3 16.8 13.3 462 188 B A H > S+ 0 0 0 -8,-0.4 4,-2.6 -5,-0.3 5,-0.3 0.924 115.2 46.6 -64.5 -48.1 -21.4 18.7 12.2 463 189 B E H > S+ 0 0 4 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.889 113.3 50.8 -59.2 -41.4 -20.1 19.9 8.8 464 190 B T H < S+ 0 0 45 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.929 116.7 38.1 -68.2 -44.6 -18.8 16.5 8.0 465 191 B L H < S+ 0 0 0 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.862 121.8 43.8 -71.9 -35.3 -22.1 14.7 8.8 466 192 B I H >< S+ 0 0 0 -4,-2.6 3,-2.7 -5,-0.2 7,-0.2 0.776 83.0 108.4 -88.0 -26.1 -24.4 17.4 7.4 467 193 B A T 3< S+ 0 0 42 -4,-2.3 34,-0.0 -5,-0.3 -4,-0.0 -0.272 90.3 16.8 -54.5 131.1 -22.6 18.2 4.1 468 194 B G T 3 S+ 0 0 66 33,-0.1 -1,-0.3 1,-0.0 -2,-0.1 0.340 124.6 63.4 86.4 -5.1 -24.6 16.8 1.2 469 195 B K <> + 0 0 34 -3,-2.7 4,-2.9 2,-0.1 5,-0.2 -0.013 59.5 122.3-138.6 26.3 -27.7 16.5 3.5 470 196 B E H > S+ 0 0 35 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.881 76.1 50.1 -60.3 -43.6 -28.3 20.1 4.4 471 197 B R H > S+ 0 0 55 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.932 114.2 44.9 -64.5 -45.2 -31.8 20.2 3.1 472 198 B F H > S+ 0 0 65 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.927 115.7 46.5 -62.8 -47.6 -32.7 17.0 5.0 473 199 B F H X S+ 0 0 2 -4,-2.9 4,-3.1 -7,-0.2 5,-0.2 0.937 111.2 50.7 -62.8 -45.7 -31.1 18.2 8.2 474 200 B L H X S+ 0 0 0 -4,-2.6 4,-3.2 1,-0.2 5,-0.3 0.908 108.9 51.2 -64.2 -42.3 -32.5 21.7 8.2 475 201 B E H X S+ 0 0 51 -4,-1.9 4,-2.3 -5,-0.2 5,-0.3 0.940 114.0 44.5 -57.2 -47.6 -36.1 20.4 7.7 476 202 B H H X S+ 0 0 10 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.941 116.2 46.7 -62.7 -45.5 -35.7 18.0 10.6 477 203 B F H X S+ 0 0 19 -4,-3.1 4,-0.8 2,-0.2 -2,-0.2 0.921 116.7 42.1 -63.5 -49.3 -34.0 20.7 12.8 478 204 B I H >< S+ 0 0 0 -4,-3.2 3,-0.9 -5,-0.2 -2,-0.2 0.962 117.8 44.6 -65.6 -50.6 -36.5 23.5 12.0 479 205 B K H >< S+ 0 0 59 -4,-2.3 3,-1.5 -5,-0.3 -2,-0.2 0.850 106.8 59.2 -65.6 -34.1 -39.7 21.3 12.2 480 206 B S H 3< S+ 0 0 35 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.734 110.3 44.1 -67.6 -21.4 -38.6 19.5 15.4 481 207 B A T << S+ 0 0 19 -3,-0.9 90,-2.7 -4,-0.8 91,-0.3 0.241 103.8 90.5-102.8 10.1 -38.4 22.9 17.2 482 208 B A < - 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0 0 11 -7,-0.6 3,-0.2 -294,-0.1 4,-0.2 -0.213 20.5-103.9 -85.0 178.3 17.8 8.2 24.1 1042 174 D L S S+ 0 0 82 1,-0.2 3,-0.2 -9,-0.2 -8,-0.1 0.832 110.8 23.6 -70.4 -37.8 17.8 4.5 23.2 1043 175 D V S >> S+ 0 0 11 -10,-0.5 3,-2.1 1,-0.1 4,-0.5 0.193 74.7 114.0-127.3 20.0 14.0 3.9 23.2 1044 176 D W H >> S+ 0 0 6 1,-0.3 4,-1.5 -3,-0.2 3,-0.7 0.797 75.5 71.3 -57.9 -24.4 12.1 7.1 22.6 1045 177 D H H 3> S+ 0 0 21 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.726 79.9 72.7 -67.1 -19.3 11.1 5.5 19.3 1046 178 D F H <> S+ 0 0 8 -3,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.951 104.4 39.6 -56.8 -48.2 8.9 3.1 21.3 1047 179 D S H S+ 0 0 3 1,-0.2 3,-1.5 2,-0.2 -861,-0.1 -0.035 83.8 65.6 -84.2-167.4 -2.0 6.6 17.1 1053 185 D D T 3 S- 0 0 39 -863,-0.4 -1,-0.2 1,-0.3 5,-0.1 0.702 122.7 -83.7 61.6 21.5 -3.2 8.5 14.1 1054 186 D R T 3> S+ 0 0 94 -3,-0.2 4,-2.5 -4,-0.1 -1,-0.3 0.901 77.5 167.9 46.2 42.2 -0.7 6.5 12.1 1055 187 D L H <> + 0 0 0 -3,-1.5 4,-2.1 -4,-0.2 5,-0.2 0.930 67.7 43.3 -51.6 -54.7 1.8 9.1 13.3 1056 188 D A H > S+ 0 0 0 -8,-0.4 4,-2.3 -5,-0.3 5,-0.3 0.912 114.8 47.7 -63.3 -45.4 4.9 7.2 12.2 1057 189 D E H > S+ 0 0 5 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.893 112.0 51.2 -60.9 -39.8 3.7 6.0 8.8 1058 190 D T H < S+ 0 0 45 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.917 116.3 38.6 -67.8 -41.7 2.4 9.5 7.9 1059 191 D L H < S+ 0 0 0 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.833 121.1 43.4 -76.7 -34.2 5.7 11.3 8.8 1060 192 D I H >< S+ 0 0 0 -4,-2.3 3,-3.0 -5,-0.2 7,-0.2 0.778 83.3 109.2 -87.6 -25.6 8.0 8.6 7.4 1061 193 D A T 3< S+ 0 0 43 -4,-2.1 34,-0.0 1,-0.3 -4,-0.0 -0.230 90.8 14.8 -56.5 133.5 6.3 7.8 4.1 1062 194 D G T 3 S+ 0 0 68 33,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.236 125.3 64.6 84.4 -13.5 8.3 9.1 1.2 1063 195 D K <> + 0 0 34 -3,-3.0 4,-2.6 1,-0.1 5,-0.2 -0.020 59.2 123.3-127.9 27.6 11.3 9.5 3.5 1064 196 D E H > S+ 0 0 31 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.864 75.1 49.7 -61.7 -39.5 11.9 5.9 4.5 1065 197 D R H > S+ 0 0 54 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.912 112.5 46.5 -68.3 -45.5 15.5 5.9 3.3 1066 198 D F H > S+ 0 0 63 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.939 115.8 46.3 -58.4 -48.8 16.4 9.1 5.2 1067 199 D F H X S+ 0 0 2 -4,-2.6 4,-3.1 1,-0.2 -2,-0.2 0.919 110.2 50.9 -64.2 -45.6 14.7 7.8 8.3 1068 200 D L H X S+ 0 0 0 -4,-2.6 4,-3.1 1,-0.2 5,-0.3 0.883 108.7 52.4 -64.4 -37.6 16.2 4.4 8.4 1069 201 D E H X S+ 0 0 48 -4,-1.8 4,-2.4 -5,-0.2 5,-0.3 0.948 113.8 42.7 -63.0 -47.6 19.7 5.7 7.9 1070 202 D H H X S+ 0 0 10 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.940 117.2 47.8 -60.1 -47.3 19.3 8.0 10.9 1071 203 D F H X S+ 0 0 19 -4,-3.1 4,-0.7 -5,-0.2 -2,-0.2 0.939 117.1 40.5 -61.3 -51.0 17.6 5.3 13.0 1072 204 D I H >< S+ 0 0 0 -4,-3.1 3,-1.0 -5,-0.2 93,-0.2 0.958 118.0 45.0 -64.4 -51.9 20.1 2.6 12.2 1073 205 D K H >< S+ 0 0 53 -4,-2.4 3,-1.3 -5,-0.3 -1,-0.2 0.825 107.1 59.1 -66.6 -31.3 23.3 4.7 12.5 1074 206 D S H 3< S+ 0 0 34 -4,-2.1 -1,-0.3 -5,-0.3 -2,-0.2 0.725 109.8 44.3 -71.2 -18.1 22.2 6.5 15.7 1075 207 D A T << S+ 0 0 20 -3,-1.0 90,-2.7 -4,-0.7 91,-0.3 0.234 104.4 90.8-104.1 10.5 21.9 3.1 17.4 1076 208 D A < - 0 0 5 -3,-1.3 3,-0.2 88,-0.2 87,-0.1 -0.732 50.3-170.4-105.6 152.5 25.3 1.9 15.9 1077 209 D S S S+ 0 0 35 -2,-0.3 2,-1.1 1,-0.2 3,-0.2 0.695 95.2 47.7 -96.2 -42.8 28.9 2.1 17.1 1078 210 D N > + 0 0 41 1,-0.2 3,-0.8 59,-0.1 4,-0.2 -0.721 66.7 165.7-100.1 84.7 30.2 0.9 13.7 1079 211 D T G > + 0 0 59 -2,-1.1 3,-1.5 1,-0.2 -1,-0.2 0.760 64.5 72.8 -72.1 -23.5 28.3 3.1 11.3 1080 212 D E G 3 S+ 0 0 123 1,-0.3 -1,-0.2 -3,-0.2 -2,-0.1 0.764 81.2 69.4 -66.1 -25.8 30.5 2.3 8.4 1081 213 D V G < S+ 0 0 48 -3,-0.8 2,-1.4 1,-0.2 -1,-0.3 0.742 84.5 78.8 -66.3 -19.2 29.1 -1.3 7.9 1082 214 D F S < S- 0 0 2 -3,-1.5 -1,-0.2 -4,-0.2 -9,-0.0 -0.654 73.9-170.2 -92.8 81.9 25.9 0.3 6.8 1083 215 D S > - 0 0 59 -2,-1.4 4,-2.3 1,-0.1 5,-0.2 -0.223 37.1-108.8 -65.9 160.7 26.8 1.2 3.2 1084 216 D E H > S+ 0 0 101 1,-0.2 4,-1.9 2,-0.2 -1,-0.1 0.860 121.3 53.8 -60.7 -33.0 24.5 3.4 1.1 1085 217 D R H > S+ 0 0 140 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.923 106.7 48.8 -69.1 -44.7 23.7 0.3 -0.9 1086 218 D L H > S+ 0 0 21 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.928 112.1 49.7 -61.0 -42.3 22.7 -1.8 2.1 1087 219 D L H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.889 106.3 56.7 -64.9 -37.1 20.5 1.0 3.4 1088 220 D D H X S+ 0 0 46 -4,-1.9 4,-2.1 -5,-0.2 -1,-0.2 0.905 107.8 48.2 -57.5 -44.4 18.9 1.3 0.0 1089 221 D L H X S+ 0 0 20 -4,-1.9 4,-1.5 2,-0.2 -2,-0.2 0.928 114.2 44.0 -65.2 -46.7 17.9 -2.4 0.2 1090 222 D Y H X S+ 0 0 3 -4,-2.2 4,-2.2 1,-0.2 5,-0.2 0.913 113.2 52.0 -65.1 -41.7 16.4 -2.2 3.7 1091 223 D A H X S+ 0 0 4 -4,-2.8 4,-1.3 1,-0.2 -2,-0.2 0.887 106.8 52.6 -64.2 -38.8 14.6 1.0 3.0 1092 224 D R H < S+ 0 0 154 -4,-2.1 4,-0.4 -5,-0.2 -1,-0.2 0.882 110.5 49.1 -65.0 -34.8 12.9 -0.3 -0.2 1093 225 D S H >< S+ 0 0 3 -4,-1.5 3,-1.2 1,-0.2 -2,-0.2 0.952 114.9 40.8 -69.4 -49.8 11.6 -3.3 1.7 1094 226 D Y H 3< S+ 0 0 9 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.638 101.4 72.8 -81.2 -6.3 10.1 -1.5 4.6 1095 227 D A T 3< + 0 0 29 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.635 67.0 111.7 -78.2 -15.2 8.8 1.3 2.4 1096 228 D K S X> S- 0 0 48 -3,-1.2 4,-3.1 -4,-0.4 3,-0.6 -0.448 80.0-125.8 -54.3 129.5 6.1 -1.1 1.1 1097 229 D P H 3> S+ 0 0 103 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.879 109.4 46.4 -53.9 -42.4 3.0 0.4 2.6 1098 230 D H H 3> S+ 0 0 82 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.827 115.2 48.2 -69.6 -28.0 1.9 -2.8 4.3 1099 231 D S H <> S+ 0 0 0 -3,-0.6 4,-2.5 2,-0.2 -1,-0.2 0.875 108.4 52.2 -77.4 -39.8 5.4 -3.3 5.6 1100 232 D L H X S+ 0 0 8 -4,-3.1 4,-1.2 2,-0.2 -2,-0.2 0.942 115.6 42.8 -60.1 -45.5 5.8 0.3 6.9 1101 233 D N H X S+ 0 0 22 -4,-2.1 4,-2.0 -5,-0.3 3,-0.4 0.934 111.5 53.0 -65.7 -45.8 2.5 -0.2 8.8 1102 234 D A H X S+ 0 0 0 -4,-2.2 4,-1.5 -144,-0.2 -1,-0.2 0.916 102.3 62.2 -56.1 -43.2 3.4 -3.7 10.0 1103 235 D S H < S+ 0 0 1 -4,-2.5 4,-0.4 1,-0.2 3,-0.4 0.904 110.3 37.2 -47.1 -51.1 6.6 -2.3 11.4 1104 236 D F H >X S+ 0 0 0 -4,-1.2 4,-2.2 -3,-0.4 3,-0.8 0.757 102.7 70.5 -81.1 -24.4 4.9 0.1 13.8 1105 237 D E H 3X S+ 0 0 11 -4,-2.0 4,-1.3 1,-0.2 -1,-0.2 0.850 91.3 63.0 -59.3 -33.9 2.0 -2.3 14.7 1106 238 D Y H 3< S+ 0 0 2 -4,-1.5 -1,-0.2 -3,-0.4 -2,-0.2 0.878 108.9 40.9 -53.3 -38.4 4.6 -4.3 16.6 1107 239 D Y H X4 S+ 0 0 3 -3,-0.8 3,-1.4 -4,-0.4 4,-0.4 0.814 107.3 60.0 -81.9 -33.5 5.1 -1.3 18.8 1108 240 D R H 3< S+ 0 0 46 -4,-2.2 4,-0.2 1,-0.3 -1,-0.2 0.731 110.0 45.6 -65.9 -20.8 1.4 -0.5 19.0 1109 241 D A T 3X S+ 0 0 9 -4,-1.3 4,-2.3 -5,-0.2 -138,-0.3 0.361 84.5 100.9 -98.8 4.6 1.0 -3.9 20.6 1110 242 D L H <> S+ 0 0 0 -3,-1.4 4,-2.6 1,-0.2 5,-0.2 0.893 80.5 49.0 -60.5 -46.2 4.0 -3.6 22.9 1111 243 D N H > S+ 0 0 29 -4,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.892 111.4 51.5 -60.8 -38.6 1.9 -2.8 26.1 1112 244 D E H > S+ 0 0 36 2,-0.2 4,-2.6 -4,-0.2 -2,-0.2 0.904 109.1 50.5 -62.4 -41.3 -0.2 -5.8 25.3 1113 245 D S H X S+ 0 0 2 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.912 107.5 53.2 -62.2 -43.5 2.9 -8.0 24.9 1114 246 D V H X S+ 0 0 12 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.923 110.5 47.9 -55.1 -45.8 4.1 -6.7 28.3 1115 247 D R H X S+ 0 0 68 -4,-2.1 4,-0.9 1,-0.2 -2,-0.2 0.915 112.2 48.9 -64.0 -43.4 0.8 -7.8 29.9 1116 248 D Q H >X S+ 0 0 31 -4,-2.6 4,-2.1 1,-0.2 3,-0.7 0.919 111.1 50.6 -58.5 -44.5 1.0 -11.2 28.2 1117 249 D N H 3X S+ 0 0 1 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.789 96.4 68.1 -71.4 -25.6 4.5 -11.7 29.4 1118 250 D A H 3< S+ 0 0 63 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.873 110.4 36.9 -58.4 -36.2 3.6 -10.8 33.0 1119 251 D E H X< S+ 0 0 38 -4,-0.9 3,-1.4 -3,-0.7 -2,-0.2 0.900 116.1 51.4 -81.3 -44.3 1.6 -14.1 33.0 1120 252 D L H >< S+ 0 0 25 -4,-2.1 3,-1.9 1,-0.3 -2,-0.2 0.856 97.9 67.3 -60.4 -36.3 4.0 -16.2 30.9 1121 253 D A T 3< S+ 0 0 36 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.1 0.492 73.5 87.3 -72.1 -2.2 7.0 -15.3 33.0 1122 254 D K T < S+ 0 0 155 -3,-1.4 2,-0.6 1,-0.1 -1,-0.3 0.727 87.1 61.8 -64.5 -20.1 5.6 -17.3 35.9 1123 255 D T S < S- 0 0 83 -3,-1.9 -1,-0.1 -4,-0.2 2,-0.0 -0.938 87.5-141.2-109.1 115.8 7.4 -20.2 34.2 1124 256 D R - 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