==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-MAY-12 4F60 . COMPND 2 MOLECULE: HALOALKANE DEHALOGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOCOCCUS RHODOCHROUS; . AUTHOR M.PLEVAKA,I.KUTA-SMATANOVA,P.REZACOVA . 290 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11254.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 203 70.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 11.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 13 4.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 2 0.7 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 . 1 0.3 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 . 14 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 15.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 30.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.7 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 4 0 1 1 1 1 1 1 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 0 2 0 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 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 4 A I 0 0 103 0, 0.0 272,-0.0 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 127.5 -35.4 16.1 17.6 2 5 A G - 0 0 37 1,-0.1 45,-0.1 45,-0.1 44,-0.0 -0.297 360.0-172.7 -68.1 141.7 -35.4 12.8 19.4 3 6 A T + 0 0 47 43,-0.1 -1,-0.1 44,-0.0 182,-0.1 0.552 56.1 91.4-105.6 -8.8 -34.1 12.6 23.0 4 7 A G - 0 0 38 42,-0.0 -2,-0.0 2,-0.0 178,-0.0 -0.274 63.8-142.9 -84.6 171.5 -34.1 8.8 23.5 5 8 A F + 0 0 36 -2,-0.1 2,-2.0 2,-0.0 38,-0.0 -0.660 20.9 178.0-131.7 74.8 -31.4 6.2 22.8 6 9 A P + 0 0 109 0, 0.0 2,-0.4 0, 0.0 -2,-0.0 -0.304 37.0 120.4 -82.6 57.6 -33.3 3.2 21.5 7 10 A F - 0 0 24 -2,-2.0 17,-0.1 17,-0.0 -2,-0.0 -0.977 64.7-120.1-126.4 130.3 -30.2 1.0 20.9 8 11 A D - 0 0 83 -2,-0.4 15,-0.4 15,-0.1 2,-0.2 -0.404 39.3-116.7 -58.2 132.5 -29.3 -2.4 22.3 9 12 A P - 0 0 75 0, 0.0 2,-0.4 0, 0.0 13,-0.1 -0.541 31.2-171.8 -75.1 141.7 -26.0 -2.2 24.2 10 13 A H E -A 21 0A 62 11,-1.2 11,-2.4 -2,-0.2 2,-0.4 -0.970 1.3-168.6-129.0 147.5 -23.0 -4.2 23.0 11 14 A Y E -A 20 0A 91 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.996 4.7-177.7-134.5 140.8 -19.7 -4.6 24.8 12 15 A V E -A 19 0A 26 7,-1.9 7,-2.5 -2,-0.4 2,-0.4 -0.986 32.0-112.7-135.4 145.2 -16.4 -6.0 23.7 13 16 A E E -A 18 0A 118 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.662 34.8-178.0 -79.9 129.9 -13.1 -6.5 25.6 14 17 A V E > -A 17 0A 2 3,-3.4 3,-2.1 -2,-0.4 74,-0.1 -0.975 69.5 -24.6-133.8 112.7 -10.4 -4.2 24.4 15 18 A L T 3 S- 0 0 96 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.886 128.2 -49.4 50.1 41.7 -6.9 -4.4 25.9 16 19 A G T 3 S+ 0 0 63 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.514 122.9 100.3 79.7 4.7 -8.4 -5.8 29.1 17 20 A E E < S-A 14 0A 51 -3,-2.1 -3,-3.4 53,-0.1 2,-0.4 -0.951 72.8-118.4-123.1 148.5 -11.1 -3.1 29.3 18 21 A R E -A 13 0A 102 -2,-0.4 52,-2.9 -5,-0.2 2,-0.4 -0.660 27.0-167.2 -88.1 130.9 -14.8 -3.2 28.3 19 22 A M E -A 12 0A 1 -7,-2.5 -7,-1.9 -2,-0.4 2,-0.3 -0.964 11.9-139.6-117.5 136.6 -15.9 -0.8 25.6 20 23 A H E +A 11 0A 0 -2,-0.4 42,-2.9 42,-0.3 2,-0.3 -0.674 27.1 169.4 -90.3 145.5 -19.6 -0.1 24.8 21 24 A Y E -AB 10 61A 24 -11,-2.4 -11,-1.2 -2,-0.3 2,-0.3 -0.992 34.7-122.5-153.1 149.5 -20.8 0.3 21.2 22 25 A V E - B 0 60A 0 38,-2.0 38,-2.0 -2,-0.3 2,-0.3 -0.702 29.3-179.2 -79.3 141.0 -24.0 0.6 19.2 23 26 A D E + B 0 59A 12 -15,-0.4 2,-0.3 -2,-0.3 36,-0.2 -0.808 19.3 138.7-146.9 100.2 -24.2 -2.1 16.5 24 27 A V E + B 0 58A 29 34,-2.0 34,-2.9 -2,-0.3 -17,-0.0 -0.844 30.6 55.6-133.4 171.0 -27.3 -2.0 14.2 25 28 A G S S- 0 0 30 -2,-0.3 32,-0.2 32,-0.3 28,-0.1 -0.116 91.4 -33.8 92.9 169.2 -28.0 -2.5 10.5 26 29 A P - 0 0 49 0, 0.0 31,-0.4 0, 0.0 3,-0.4 -0.325 46.8-147.2 -67.7 149.5 -27.3 -5.3 8.0 27 30 A R S S+ 0 0 166 1,-0.2 29,-0.0 29,-0.1 -2,-0.0 0.161 77.2 78.4-106.8 18.5 -24.1 -7.3 8.5 28 31 A D S S+ 0 0 147 2,-0.1 -1,-0.2 0, 0.0 2,-0.2 0.116 88.8 43.1-119.0 21.0 -23.1 -8.2 5.0 29 32 A G S S- 0 0 51 -3,-0.4 27,-0.1 0, 0.0 0, 0.0 -0.542 102.8 -42.9-140.1-156.5 -21.5 -5.0 3.6 30 33 A T - 0 0 15 -2,-0.2 27,-0.2 67,-0.1 67,-0.2 -0.733 61.2-131.8 -83.3 121.1 -19.1 -2.1 4.5 31 34 A P - 0 0 9 0, 0.0 67,-2.3 0, 0.0 2,-0.6 -0.388 6.7-133.8 -74.4 155.6 -19.8 -0.9 8.0 32 35 A V E -cd 58 98A 0 25,-2.8 27,-2.8 65,-0.2 2,-0.6 -0.946 19.2-156.0-110.6 117.9 -20.1 2.8 8.9 33 36 A L E -cd 59 99A 0 65,-3.2 67,-2.7 -2,-0.6 2,-0.5 -0.886 2.8-158.2-106.4 118.3 -18.1 3.7 12.0 34 37 A F E - d 0 100A 0 25,-2.8 2,-0.6 -2,-0.6 67,-0.2 -0.860 6.4-166.7-100.9 123.5 -19.3 6.7 13.9 35 38 A L E - d 0 101A 1 65,-2.7 67,-1.4 -2,-0.5 70,-0.2 -0.942 2.5-165.1-120.5 110.0 -16.7 8.5 16.2 36 39 A H - 0 0 0 -2,-0.6 2,-0.1 25,-0.5 6,-0.1 -0.270 5.2-160.3 -79.2 173.8 -17.7 11.0 18.7 37 40 A G > + 0 0 0 67,-0.2 3,-1.4 4,-0.2 -1,-0.1 -0.260 41.4 10.5-127.8-140.1 -15.5 13.5 20.6 38 41 A N T 3 S- 0 0 1 1,-0.3 -1,-0.1 -2,-0.1 3,-0.1 -0.713 121.4 -10.8 -95.7 138.0 -15.5 15.6 23.7 39 42 A P T 3 S+ 0 0 2 0, 0.0 -1,-0.3 0, 0.0 160,-0.1 -0.562 116.4 82.8-102.8 45.5 -17.6 15.5 26.0 40 43 A T < - 0 0 2 -3,-1.4 27,-0.3 26,-0.1 2,-0.3 0.059 49.3-161.2-102.4-158.9 -20.0 13.2 24.1 41 44 A S > - 0 0 14 25,-0.1 3,-2.1 -3,-0.1 4,-0.3 -0.879 58.9 -55.8-161.7-170.4 -20.6 9.5 23.4 42 45 A S G > S+ 0 0 2 1,-0.3 3,-1.7 -2,-0.3 4,-0.3 0.722 122.1 80.3 -52.5 -22.9 -22.5 7.4 20.9 43 46 A Y G > S+ 0 0 6 1,-0.3 3,-1.7 2,-0.2 -1,-0.3 0.859 80.2 65.5 -52.9 -32.8 -25.5 9.4 22.2 44 47 A L G < S+ 0 0 2 -3,-2.1 3,-0.3 1,-0.3 -1,-0.3 0.765 103.0 46.6 -63.0 -24.7 -24.4 12.2 19.8 45 48 A W G X> S+ 0 0 0 -3,-1.7 4,-2.7 -4,-0.3 3,-1.5 0.391 78.9 108.7 -96.3 4.4 -25.2 10.0 16.8 46 49 A R T <4 S+ 0 0 3 -3,-1.7 -1,-0.2 -4,-0.3 -2,-0.1 0.742 84.5 38.4 -58.6 -32.5 -28.6 8.7 18.0 47 50 A N T 34 S+ 0 0 29 -3,-0.3 -1,-0.3 -4,-0.2 233,-0.1 0.485 117.5 50.3 -98.8 -3.9 -30.7 10.7 15.5 48 51 A I T X> S+ 0 0 1 -3,-1.5 3,-1.9 2,-0.1 4,-0.7 0.838 98.0 64.3 -97.0 -46.0 -28.3 10.2 12.6 49 52 A I H >X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.3 3,-1.6 0.841 92.2 63.5 -47.7 -46.6 -27.8 6.4 12.8 50 53 A P H 34 S+ 0 0 66 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.754 99.7 55.1 -58.2 -21.8 -31.5 5.7 11.9 51 54 A H H <4 S+ 0 0 57 -3,-1.9 -2,-0.2 2,-0.1 4,-0.1 0.763 117.3 34.3 -75.0 -26.7 -31.0 7.2 8.5 52 55 A V H XX S+ 0 0 0 -3,-1.6 4,-2.2 -4,-0.7 3,-1.8 0.791 99.5 76.5-100.8 -33.4 -28.1 4.9 7.7 53 56 A A T 3< S+ 0 0 21 -4,-2.8 -2,-0.1 1,-0.3 -1,-0.1 0.719 83.5 66.9 -54.1 -31.5 -29.1 1.7 9.5 54 57 A P T 34 S+ 0 0 107 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.857 120.1 19.2 -59.9 -30.4 -31.6 0.6 6.8 55 58 A S T <4 S+ 0 0 61 -3,-1.8 2,-0.3 1,-0.2 -2,-0.2 0.644 127.3 34.0-110.9 -23.0 -28.8 0.2 4.3 56 59 A H S < S- 0 0 29 -4,-2.2 -1,-0.2 -27,-0.1 2,-0.1 -0.984 79.5-102.0-141.2 147.5 -25.6 -0.1 6.2 57 60 A R - 0 0 34 -31,-0.4 -25,-2.8 -2,-0.3 2,-0.5 -0.467 36.7-154.6 -63.2 134.1 -24.2 -1.5 9.5 58 61 A C E -Bc 24 32A 0 -34,-2.9 -34,-2.0 -27,-0.2 2,-0.5 -0.987 12.8-176.9-116.9 121.7 -23.7 1.3 12.0 59 62 A I E +Bc 23 33A 0 -27,-2.8 -25,-2.8 -2,-0.5 -36,-0.2 -0.987 3.9 175.8-119.3 123.1 -21.0 0.9 14.7 60 63 A A E -B 22 0A 0 -38,-2.0 -38,-2.0 -2,-0.5 -18,-0.2 -0.832 10.4-166.0-133.3 95.4 -20.7 3.7 17.2 61 64 A P E -B 21 0A 1 0, 0.0 2,-0.6 0, 0.0 -25,-0.5 -0.461 21.0-127.6 -77.0 152.4 -18.3 3.1 20.1 62 65 A D - 0 0 2 -42,-2.9 -42,-0.3 -2,-0.1 3,-0.1 -0.872 37.7-116.0 -90.1 123.7 -18.0 5.1 23.3 63 66 A L > - 0 0 2 -2,-0.6 3,-2.3 1,-0.1 6,-0.3 -0.157 44.5 -77.1 -56.3 154.7 -14.3 6.1 23.6 64 67 A I T 3 S+ 0 0 1 1,-0.3 7,-0.2 17,-0.1 -1,-0.1 -0.253 122.5 17.2 -54.8 138.7 -12.4 4.8 26.6 65 68 A G T 3 S+ 0 0 1 5,-2.5 2,-0.3 1,-0.2 -1,-0.3 0.525 116.3 90.6 74.2 7.6 -13.3 6.6 29.8 66 69 A M S X S- 0 0 0 -3,-2.3 3,-2.3 4,-0.2 -1,-0.2 -0.850 82.5 -8.5-134.0 162.4 -16.5 7.9 28.1 67 70 A G T 3 S- 0 0 11 -27,-0.3 -26,-0.1 -2,-0.3 -3,-0.0 -0.233 126.4 -26.4 54.0-132.0 -20.2 7.0 27.6 68 71 A K T 3 S+ 0 0 82 -48,-0.1 -1,-0.3 -4,-0.0 -47,-0.1 0.292 109.4 114.4 -96.7 6.8 -20.7 3.4 28.9 69 72 A S S < S- 0 0 6 -3,-2.3 -50,-0.2 -6,-0.3 -6,-0.1 -0.344 76.7 -86.2 -72.6 160.3 -17.1 2.3 28.3 70 73 A D - 0 0 48 -52,-2.9 -5,-2.5 1,-0.1 -4,-0.2 -0.171 30.6-132.6 -64.7 166.2 -14.8 1.4 31.2 71 74 A K - 0 0 79 -7,-0.2 -1,-0.1 -6,-0.1 -7,-0.0 -0.679 27.3-176.2-124.3 70.0 -12.8 4.0 33.2 72 75 A P - 0 0 14 0, 0.0 2,-1.9 0, 0.0 -55,-0.0 -0.257 43.5 -95.4 -66.2 162.7 -9.2 2.7 33.5 73 76 A D S S+ 0 0 168 2,-0.0 2,-0.3 3,-0.0 -2,-0.0 -0.557 77.0 135.1 -83.0 79.8 -6.7 4.8 35.5 74 77 A L - 0 0 37 -2,-1.9 123,-0.1 1,-0.0 0, 0.0 -0.752 66.6-127.2-118.3 165.3 -5.2 6.7 32.6 75 78 A D - 0 0 93 -2,-0.3 126,-0.1 123,-0.0 -1,-0.0 0.608 44.7-134.8 -84.1 -15.3 -4.3 10.3 31.8 76 79 A Y + 0 0 12 1,-0.1 -3,-0.0 125,-0.1 -2,-0.0 0.837 38.2 171.0 63.0 38.0 -6.4 10.0 28.7 77 80 A F >> - 0 0 69 1,-0.1 4,-1.7 124,-0.0 3,-0.9 -0.293 52.6-100.1 -58.0 161.6 -4.0 11.6 26.3 78 81 A F H 3> S+ 0 0 3 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.913 125.9 59.9 -52.1 -42.1 -4.9 11.4 22.6 79 82 A D H 3> S+ 0 0 97 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.835 100.1 55.0 -59.8 -32.4 -2.4 8.6 22.3 80 83 A D H <> S+ 0 0 21 -3,-0.9 4,-2.1 2,-0.2 -1,-0.2 0.946 109.1 47.3 -63.3 -45.5 -4.4 6.6 24.9 81 84 A H H X S+ 0 0 1 -4,-1.7 4,-2.8 1,-0.2 5,-0.3 0.883 108.2 56.0 -62.7 -38.4 -7.5 7.0 22.8 82 85 A V H X S+ 0 0 10 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.937 107.9 48.3 -58.9 -45.6 -5.5 5.9 19.7 83 86 A R H X S+ 0 0 93 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.914 114.7 44.0 -63.7 -44.9 -4.5 2.7 21.3 84 87 A Y H X S+ 0 0 15 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.897 114.7 47.4 -69.8 -40.8 -8.0 1.8 22.5 85 88 A L H X S+ 0 0 3 -4,-2.8 4,-2.5 2,-0.2 5,-0.2 0.932 110.6 53.1 -67.0 -39.4 -9.8 2.7 19.2 86 89 A D H X S+ 0 0 40 -4,-2.5 4,-1.8 -5,-0.3 -1,-0.2 0.943 113.8 43.2 -55.6 -47.2 -7.2 0.8 17.2 87 90 A A H X S+ 0 0 24 -4,-1.8 4,-2.3 -5,-0.2 -1,-0.2 0.818 109.9 55.9 -74.3 -27.2 -7.8 -2.3 19.4 88 91 A F H X S+ 0 0 0 -4,-2.2 4,-1.5 2,-0.2 -1,-0.2 0.942 107.2 49.8 -65.8 -47.2 -11.6 -1.8 19.3 89 92 A I H <>S+ 0 0 2 -4,-2.5 5,-1.9 1,-0.2 3,-0.4 0.928 114.6 44.8 -58.3 -44.3 -11.6 -1.9 15.5 90 93 A E H ><5S+ 0 0 103 -4,-1.8 3,-1.5 -5,-0.2 -1,-0.2 0.871 106.1 60.4 -69.4 -34.3 -9.5 -5.1 15.5 91 94 A A H 3<5S+ 0 0 48 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.802 107.6 45.2 -65.7 -27.5 -11.6 -6.7 18.2 92 95 A L T 3<5S- 0 0 34 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.371 112.1-124.4 -91.0 -0.3 -14.7 -6.5 15.9 93 96 A G T < 5 + 0 0 52 -3,-1.5 -3,-0.2 1,-0.2 -2,-0.1 0.789 44.0 177.9 63.5 30.0 -12.6 -7.8 13.0 94 97 A L < + 0 0 9 -5,-1.9 -1,-0.2 1,-0.1 3,-0.1 -0.397 12.5 176.8 -65.6 140.1 -13.4 -4.8 10.8 95 98 A E + 0 0 146 1,-0.5 2,-0.3 -2,-0.1 -1,-0.1 0.626 64.2 7.5-105.0 -93.4 -11.8 -4.7 7.4 96 99 A E S S+ 0 0 70 24,-0.1 -1,-0.5 25,-0.0 2,-0.3 -0.676 75.6 178.0 -89.8 149.7 -12.8 -1.8 5.3 97 100 A V E - e 0 120A 0 22,-2.9 24,-2.9 -2,-0.3 25,-0.6 -0.945 31.7-130.9-141.1 161.8 -15.0 1.0 6.8 98 101 A V E -de 32 122A 0 -67,-2.3 -65,-3.2 -2,-0.3 2,-0.4 -0.970 33.5-141.6-106.7 136.8 -16.7 4.3 6.1 99 102 A L E -de 33 123A 1 23,-2.5 25,-3.1 -2,-0.4 2,-0.4 -0.815 19.1-173.2-101.2 139.3 -15.9 6.8 8.8 100 103 A V E +de 34 124A 0 -67,-2.7 -65,-2.7 -2,-0.4 2,-0.3 -0.976 29.3 174.8-126.8 115.6 -18.4 9.4 10.2 101 104 A I E +de 35 125A 0 23,-2.5 25,-1.1 -2,-0.4 2,-0.3 -0.898 23.6 178.7-142.4 152.5 -16.4 11.7 12.5 102 105 A H E >> - e 0 126A 0 -67,-1.4 3,-1.9 -2,-0.3 4,-0.7 -0.995 57.4 -32.7-149.3 139.4 -16.5 14.8 14.7 103 106 A D H >> S- e 0 128A 10 24,-1.7 4,-1.5 23,-0.7 3,-1.1 -0.149 132.2 -0.5 53.2-130.0 -14.1 16.7 17.0 104 107 A W H 3> S+ 0 0 2 1,-0.3 4,-2.5 2,-0.2 -1,-0.3 0.798 132.8 62.7 -66.5 -23.6 -11.7 14.3 18.7 105 108 A G H <> S+ 0 0 0 -3,-1.9 4,-2.5 2,-0.2 -1,-0.3 0.818 102.0 52.3 -65.8 -29.5 -13.4 11.5 16.9 106 109 A S H < S+ 0 0 0 -4,-2.8 3,-0.5 1,-0.2 -2,-0.2 0.917 107.1 52.5 -60.1 -45.4 -7.2 6.6 7.9 114 117 A K H 3< S+ 0 0 65 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.892 115.6 41.5 -55.6 -40.4 -3.7 7.9 7.3 115 118 A R H 3< S+ 0 0 94 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.643 128.3 30.6 -83.0 -16.5 -2.3 4.7 8.8 116 119 A N X< + 0 0 29 -4,-1.3 3,-1.9 -3,-0.5 4,-0.2 -0.392 69.9 154.1-137.8 53.4 -4.8 2.4 7.1 117 120 A P G > S+ 0 0 61 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.806 70.2 58.6 -66.5 -28.2 -5.7 4.2 3.8 118 121 A E G 3 S+ 0 0 144 1,-0.3 -5,-0.1 -3,-0.1 -3,-0.0 0.632 104.2 55.4 -70.8 -14.5 -6.7 1.0 1.9 119 122 A R G < S+ 0 0 41 -3,-1.9 -22,-2.9 -6,-0.2 2,-0.6 0.387 87.4 86.9-100.2 0.5 -9.3 0.4 4.6 120 123 A V E < +e 97 0A 12 -3,-1.3 -22,-0.2 -4,-0.2 3,-0.1 -0.924 44.8 174.9-109.8 115.7 -11.2 3.7 4.3 121 124 A K E - 0 0 71 -24,-2.9 2,-0.3 -2,-0.6 -23,-0.2 0.620 68.7 -13.0 -91.7 -22.0 -13.9 3.8 1.7 122 125 A G E -e 98 0A 0 -25,-0.6 -23,-2.5 109,-0.1 2,-0.4 -0.933 56.3-141.0-173.0 155.8 -15.3 7.2 2.5 123 126 A I E -ef 99 233A 0 109,-2.4 111,-2.3 -2,-0.3 2,-0.5 -0.965 9.0-172.8-133.0 115.2 -15.1 9.9 5.2 124 127 A A E +ef 100 234A 0 -25,-3.1 -23,-2.5 -2,-0.4 2,-0.3 -0.946 24.7 172.1 -98.1 130.0 -18.1 12.0 6.3 125 128 A C E +ef 101 235A 2 109,-2.8 111,-2.4 -2,-0.5 2,-0.3 -0.889 19.2 179.4-140.7 162.8 -16.8 14.7 8.7 126 129 A M E S-ef 102 236A 0 -25,-1.1 -23,-0.7 -2,-0.3 111,-0.1 -0.920 70.7 -0.5-164.6 133.7 -18.1 17.8 10.5 127 130 A E E S+ 0 0 1 109,-0.7 -24,-1.7 -2,-0.3 -21,-0.2 0.910 87.9 176.2 48.0 55.3 -16.4 20.3 12.9 128 131 A F E -e 103 0A 0 -26,-0.2 2,-0.5 -22,-0.1 -1,-0.1 -0.444 32.2 -93.4 -95.7 162.8 -13.2 18.4 12.7 129 132 A I + 0 0 3 -26,-0.6 -1,-0.1 -2,-0.1 115,-0.0 -0.682 46.5 158.4 -87.5 123.9 -9.8 19.1 14.2 130 133 A R - 0 0 56 -2,-0.5 90,-0.1 113,-0.1 2,-0.1 -0.848 55.1 -76.8-121.7 165.7 -7.2 21.1 12.2 131 134 A P - 0 0 37 0, 0.0 77,-0.2 0, 0.0 75,-0.0 -0.415 40.5-143.4 -63.4 141.6 -4.2 23.0 13.6 132 135 A I B -h 208 0B 18 75,-3.0 77,-2.7 1,-0.2 78,-0.4 -0.927 9.1-158.7-108.3 104.4 -5.3 26.3 15.1 133 136 A P - 0 0 89 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.867 67.5 -7.4 -56.2 -46.2 -2.5 28.7 14.2 134 137 A T S > S- 0 0 57 75,-0.1 3,-1.7 74,-0.1 4,-0.2 -0.922 74.8 -98.9-143.1 168.4 -3.3 31.3 16.9 135 138 A W G > S+ 0 0 55 -2,-0.3 3,-1.8 1,-0.3 12,-0.0 0.750 114.5 73.9 -62.9 -23.6 -6.0 32.1 19.4 136 139 A D G 3 S+ 0 0 121 1,-0.3 -1,-0.3 -4,-0.0 4,-0.2 0.737 90.9 58.0 -60.6 -22.2 -7.5 34.6 17.0 137 140 A E G < S+ 0 0 104 -3,-1.7 -1,-0.3 2,-0.1 -2,-0.2 0.470 89.7 85.1 -88.4 -4.7 -8.7 31.6 15.0 138 141 A W S < S- 0 0 8 -3,-1.8 5,-0.1 -4,-0.2 105,-0.1 -0.804 101.3 -94.5 -88.6 138.6 -10.7 30.3 18.0 139 142 A P > - 0 0 23 0, 0.0 3,-2.2 0, 0.0 4,-0.4 -0.293 26.3-132.7 -59.2 135.3 -14.1 31.9 18.1 140 143 A E G >> S+ 0 0 151 1,-0.3 3,-1.1 2,-0.2 4,-0.5 0.843 103.3 66.1 -57.0 -32.3 -14.1 35.0 20.4 141 144 A F G 34 S+ 0 0 103 1,-0.3 -1,-0.3 2,-0.1 4,-0.1 0.586 116.8 25.5 -68.9 -7.8 -17.3 33.8 22.1 142 145 A A G <> S+ 0 0 1 -3,-2.2 4,-2.0 2,-0.1 -1,-0.3 0.242 94.7 100.5-135.0 16.8 -15.4 30.8 23.5 143 146 A R H <> S+ 0 0 53 -3,-1.1 4,-2.6 -4,-0.4 5,-0.2 0.951 83.4 43.6 -73.8 -53.6 -11.8 32.1 23.6 144 147 A E H X S+ 0 0 161 -4,-0.5 4,-2.2 1,-0.2 -1,-0.2 0.900 114.1 53.4 -59.5 -38.6 -11.4 33.0 27.3 145 148 A L H > S+ 0 0 26 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.949 112.0 42.3 -63.2 -50.7 -13.1 29.8 28.4 146 149 A F H X S+ 0 0 5 -4,-2.0 4,-1.3 1,-0.2 -1,-0.2 0.858 111.9 55.1 -68.8 -31.4 -10.8 27.5 26.3 147 150 A Q H < S+ 0 0 66 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.901 109.1 49.2 -62.1 -38.5 -7.8 29.6 27.4 148 151 A A H >< S+ 0 0 21 -4,-2.2 3,-2.1 1,-0.2 7,-0.3 0.903 104.6 57.7 -65.7 -40.9 -8.9 28.9 31.0 149 152 A F H 3< S+ 0 0 0 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.835 110.0 45.8 -55.3 -33.2 -9.3 25.2 30.3 150 153 A R T 3< S+ 0 0 48 -4,-1.3 2,-0.5 -3,-0.2 -1,-0.3 0.197 92.8 100.1 -99.0 13.3 -5.6 25.2 29.3 151 154 A T S <> S- 0 0 71 -3,-2.1 4,-2.8 -5,-0.1 5,-0.4 -0.878 86.1 -98.0-102.3 134.4 -4.4 27.3 32.2 152 155 A A T 4 S- 0 0 81 -2,-0.5 2,-2.7 1,-0.2 -2,-0.1 -0.146 98.0 -10.4 -52.1 136.3 -2.8 25.4 35.1 153 156 A D T > S+ 0 0 135 1,-0.2 4,-2.3 -4,-0.1 -1,-0.2 -0.308 127.0 72.0 72.5 -56.7 -5.1 24.7 38.1 154 157 A V H > S+ 0 0 72 -2,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.897 95.2 51.1 -53.5 -47.2 -7.9 27.0 36.7 155 158 A G H X S+ 0 0 0 -4,-2.8 4,-2.8 -7,-0.3 5,-0.3 0.897 110.9 47.4 -63.4 -39.7 -8.7 24.5 33.9 156 159 A R H >>S+ 0 0 84 -5,-0.4 4,-2.4 2,-0.2 5,-1.6 0.888 108.8 54.5 -67.6 -39.9 -9.1 21.6 36.2 157 160 A E H <>S+ 0 0 81 -4,-2.3 5,-1.9 3,-0.2 -2,-0.2 0.924 114.3 42.3 -59.9 -44.1 -11.2 23.6 38.6 158 161 A L H <5S+ 0 0 25 -4,-2.2 6,-2.6 3,-0.2 4,-0.2 0.960 127.0 28.6 -63.6 -52.5 -13.6 24.4 35.7 159 162 A I H <5S+ 0 0 0 -4,-2.8 4,-0.2 4,-0.3 6,-0.2 0.908 130.9 31.6 -84.7 -43.6 -13.7 21.0 34.1 160 163 A I T <5S+ 0 0 14 -4,-2.4 -3,-0.2 -5,-0.3 -2,-0.1 0.944 131.3 30.0 -79.2 -51.5 -13.1 18.6 37.0 161 164 A D T > + 0 0 10 -4,-0.2 4,-2.8 -6,-0.2 3,-0.9 0.845 44.4 165.1 58.4 38.3 -18.0 20.0 35.2 164 167 A A H 3>> + 0 0 0 -6,-2.6 5,-2.1 1,-0.3 4,-2.1 0.747 63.1 62.0 -61.9 -26.7 -17.8 23.0 32.8 165 168 A F H 34>S+ 0 0 8 -6,-0.2 5,-0.9 3,-0.2 -1,-0.3 0.902 116.5 31.3 -68.4 -36.2 -17.4 20.9 29.6 166 169 A I H <45S+ 0 0 0 -3,-0.9 4,-0.4 -7,-0.2 -2,-0.2 0.932 128.2 38.5 -79.1 -51.7 -20.8 19.3 30.2 167 170 A E H <5S+ 0 0 75 -4,-2.8 -3,-0.2 -5,-0.1 -2,-0.2 0.790 131.7 19.7 -77.0 -30.1 -22.6 22.2 31.8 168 171 A Q T X5S+ 0 0 74 -4,-2.1 4,-1.7 -5,-0.3 -3,-0.2 0.825 121.5 48.3-106.2 -46.8 -21.2 25.1 29.9 169 172 A V H >44 S+ 0 0 62 0, 0.0 3,-0.9 0, 0.0 -1,-0.2 0.867 115.2 56.2 -63.0 -32.6 -25.3 24.5 25.5 172 175 A K H 3< S+ 0 0 84 -4,-1.7 -2,-0.2 1,-0.2 -3,-0.1 0.815 111.2 43.7 -64.7 -30.5 -22.8 27.1 24.2 173 176 A F T << S+ 0 0 4 -4,-1.8 97,-2.1 -3,-0.6 96,-1.8 0.175 99.4 76.7-110.3 15.4 -22.1 25.0 21.1 174 177 A V < - 0 0 5 -3,-0.9 4,-0.1 -4,-0.3 93,-0.1 -0.995 66.8-152.1-119.6 128.3 -25.6 23.9 20.2 175 178 A V S S+ 0 0 69 -2,-0.4 -1,-0.1 91,-0.1 92,-0.1 0.961 79.6 56.6 -66.3 -52.5 -27.7 26.6 18.4 176 179 A R S S- 0 0 46 90,-0.1 2,-0.3 1,-0.1 -2,-0.1 -0.308 104.8 -88.0 -73.8 161.4 -31.1 25.4 19.6 177 180 A P - 0 0 118 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.569 40.0-135.0 -71.6 131.4 -31.9 24.9 23.3 178 181 A L - 0 0 28 -2,-0.3 2,-0.2 -4,-0.1 -4,-0.0 -0.579 21.5-123.8 -77.2 148.2 -30.9 21.5 24.6 179 182 A T > - 0 0 58 -2,-0.2 4,-2.7 1,-0.1 5,-0.2 -0.511 16.6-115.2 -90.2 161.4 -33.5 19.7 26.8 180 183 A E H > S+ 0 0 120 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.871 117.4 56.4 -58.4 -39.0 -33.0 18.5 30.4 181 184 A V H > S+ 0 0 75 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.919 110.0 45.9 -59.9 -43.0 -33.5 14.9 29.2 182 185 A E H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.931 111.8 50.4 -65.3 -45.9 -30.6 15.4 26.7 183 186 A M H X S+ 0 0 11 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.898 107.6 54.3 -59.7 -41.0 -28.4 17.0 29.3 184 187 A D H X S+ 0 0 86 -4,-2.6 4,-1.4 2,-0.2 -1,-0.2 0.882 105.9 52.4 -62.0 -37.5 -29.0 14.2 31.7 185 188 A H H < S+ 0 0 62 -4,-1.7 3,-0.5 1,-0.2 -1,-0.2 0.946 112.4 45.4 -59.0 -48.4 -27.9 11.7 29.0 186 189 A Y H < S+ 0 0 4 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.828 112.6 52.0 -66.0 -31.3 -24.7 13.6 28.5 187 190 A R H >< S+ 0 0 38 -4,-2.3 3,-2.1 -5,-0.2 -1,-0.2 0.750 86.1 88.1 -70.5 -25.9 -24.2 13.9 32.3 188 191 A E G >< S+ 0 0 128 -4,-1.4 3,-0.9 -3,-0.5 -1,-0.2 0.823 86.8 45.4 -54.3 -44.8 -24.5 10.2 33.1 189 192 A P G 3 S+ 0 0 22 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 0.635 115.7 48.2 -72.4 -9.8 -20.9 9.1 32.6 190 193 A F G < + 0 0 1 -3,-2.1 -2,-0.2 -4,-0.2 6,-0.1 0.048 63.1 120.1-124.9 25.7 -19.4 12.0 34.6 191 194 A L S < S+ 0 0 125 -3,-0.9 -1,-0.1 -4,-0.2 -3,-0.1 0.820 72.2 64.0 -57.5 -34.0 -21.5 12.2 37.8 192 195 A K S > S- 0 0 132 -3,-0.2 3,-1.7 1,-0.1 4,-0.1 -0.845 82.4-140.8 -96.5 120.4 -18.3 11.7 39.8 193 196 A P G > S+ 0 0 61 0, 0.0 3,-2.2 0, 0.0 -1,-0.1 0.865 99.4 60.9 -48.5 -42.0 -15.7 14.5 39.4 194 197 A V G > S+ 0 0 111 1,-0.3 3,-0.8 2,-0.1 -33,-0.0 0.779 96.6 62.7 -58.5 -23.8 -12.7 12.1 39.4 195 198 A D G < S+ 0 0 34 -3,-1.7 -1,-0.3 1,-0.2 4,-0.2 0.407 83.6 80.8 -81.7 2.5 -14.2 10.5 36.2 196 199 A R G X> + 0 0 22 -3,-2.2 4,-1.0 1,-0.2 3,-0.9 0.355 53.6 110.6 -95.4 8.8 -13.9 13.8 34.3 197 200 A E H X> S+ 0 0 31 -3,-0.8 4,-2.7 1,-0.3 3,-1.0 0.880 75.5 52.7 -50.6 -47.2 -10.2 13.4 33.4 198 201 A P H 3> S+ 0 0 2 0, 0.0 4,-2.2 0, 0.0 -1,-0.3 0.855 104.6 57.9 -58.5 -31.5 -10.8 12.8 29.7 199 202 A L H <4 S+ 0 0 0 -3,-0.9 -2,-0.2 1,-0.2 -3,-0.1 0.764 113.4 37.7 -72.0 -25.8 -12.9 16.0 29.5 200 203 A W H X S+ 0 0 0 -4,-2.2 3,-1.8 -5,-0.2 4,-0.7 0.929 104.0 43.0 -51.5 -56.7 -8.9 16.7 25.6 203 206 A P H >4 S+ 0 0 0 0, 0.0 3,-0.6 0, 0.0 -1,-0.2 0.828 111.4 57.6 -63.7 -23.6 -8.9 20.6 25.4 204 207 A N H 3< S+ 0 0 30 -4,-1.1 -2,-0.2 -3,-0.3 -3,-0.1 0.578 104.9 52.2 -77.6 -10.7 -5.3 20.5 26.7 205 208 A E H << S+ 0 0 5 -3,-1.8 -1,-0.2 -4,-0.7 -3,-0.1 0.528 80.0 120.1 -94.9 -12.2 -4.5 18.3 23.7 206 209 A L S << S- 0 0 5 -4,-0.7 2,-1.5 -3,-0.6 10,-0.1 -0.270 73.3-117.7 -59.9 135.9 -6.0 20.8 21.1 207 210 A P + 0 0 0 0, 0.0 -75,-3.0 0, 0.0 2,-0.5 -0.609 54.9 154.2 -79.4 92.1 -3.4 21.9 18.6 208 211 A I B > -hI 132 211B 0 3,-2.2 3,-1.7 -2,-1.5 -74,-0.1 -0.983 64.2 -11.7-126.8 127.1 -3.4 25.7 19.3 209 212 A A T 3 S- 0 0 50 -77,-2.7 -1,-0.1 -2,-0.5 -75,-0.1 0.818 128.0 -54.0 57.6 35.5 -0.5 28.1 18.7 210 213 A G T 3 S+ 0 0 43 -78,-0.4 -1,-0.3 1,-0.2 6,-0.1 0.459 100.6 152.0 84.3 2.7 1.9 25.2 18.2 211 214 A E B < +I 208 0B 132 -3,-1.7 -3,-2.2 1,-0.2 -1,-0.2 -0.972 54.3 25.2-130.1 139.9 1.2 23.4 21.4 212 215 A P S > S- 0 0 30 0, 0.0 4,-2.2 0, 0.0 3,-0.5 0.547 80.0-155.7 -70.8 141.1 1.3 20.6 22.3 213 216 A A H > S+ 0 0 73 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.842 88.0 56.9 -60.4 -36.9 3.9 20.0 19.6 214 217 A N H > S+ 0 0 99 1,-0.2 4,-2.1 2,-0.2 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