==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 16-OCT-01 1K6E . COMPND 2 MOLECULE: HALOALKANE DEHALOGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SPHINGOMONAS PAUCIMOBILIS; . AUTHOR V.A.STRELTSOV,Z.PROKOP,J.DAMBORSKY,Y.NAGATA,A.OAKLEY, . 295 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11292.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 203 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 12.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 13 4.4 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 . 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 . 16 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 15.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 81 27.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.0 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 2 2 0 2 1 0 0 0 1 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 1 1 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 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 2 A S 0 0 87 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 177.6 3.7 19.7 -6.2 2 3 A L + 0 0 87 276,-0.1 2,-0.2 274,-0.0 273,-0.0 -0.372 360.0 137.1 -84.9 178.4 4.5 23.2 -7.2 3 4 A G - 0 0 33 -2,-0.1 43,-0.1 1,-0.1 42,-0.0 -0.628 54.4-122.1 149.9 152.8 1.5 25.6 -7.5 4 5 A A S S+ 0 0 36 -2,-0.2 -1,-0.1 2,-0.1 41,-0.1 0.591 72.3 108.9 -95.8 -12.3 0.4 29.1 -6.6 5 6 A K S S- 0 0 156 1,-0.1 180,-0.0 2,-0.1 179,-0.0 -0.370 71.9-116.6 -68.6 138.0 -2.7 28.4 -4.5 6 7 A P - 0 0 64 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.340 21.8-118.8 -70.6 161.7 -2.4 29.0 -0.7 7 8 A F S S- 0 0 45 1,-0.1 2,-0.3 34,-0.1 -2,-0.1 0.778 81.2 -25.8 -72.3 -29.4 -2.7 26.0 1.6 8 9 A G S S- 0 0 14 17,-0.0 2,-0.3 15,-0.0 -1,-0.1 -0.961 76.8 -73.7-165.3-176.3 -5.8 27.2 3.4 9 10 A E - 0 0 169 -2,-0.3 15,-0.4 15,-0.1 2,-0.1 -0.681 53.7-105.9 -91.7 148.7 -7.7 30.3 4.5 10 11 A K - 0 0 48 -2,-0.3 2,-0.3 13,-0.1 13,-0.2 -0.448 27.3-159.5 -75.1 142.7 -6.3 32.5 7.2 11 12 A K E -A 22 0A 92 11,-3.0 11,-2.0 -2,-0.1 2,-0.4 -0.736 15.8-138.9-110.0 165.3 -7.9 32.5 10.7 12 13 A F E -A 21 0A 80 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.970 17.2-173.5-132.7 147.2 -7.2 35.5 13.1 13 14 A I E -A 20 0A 35 7,-2.0 7,-2.7 -2,-0.4 2,-0.5 -0.997 30.0-118.3-135.5 137.9 -6.5 35.9 16.8 14 15 A E E -A 19 0A 129 -2,-0.4 2,-0.5 5,-0.2 5,-0.2 -0.655 33.7-180.0 -81.1 124.4 -6.3 39.1 18.7 15 16 A I E > -A 18 0A 9 3,-3.2 3,-2.5 -2,-0.5 76,-0.1 -0.971 66.5 -31.2-129.0 112.5 -2.9 39.7 20.2 16 17 A K T 3 S- 0 0 121 -2,-0.5 3,-0.1 1,-0.3 -1,-0.0 0.710 126.7 -43.6 54.2 27.6 -2.2 42.8 22.2 17 18 A G T 3 S+ 0 0 64 1,-0.3 2,-0.4 0, 0.0 -1,-0.3 0.240 122.3 96.8 103.7 -9.5 -4.6 44.9 20.2 18 19 A R E < S-A 15 0A 70 -3,-2.5 -3,-3.2 51,-0.1 2,-0.5 -0.867 72.5-124.8-115.3 147.4 -3.6 43.6 16.7 19 20 A R E -A 14 0A 97 -2,-0.4 50,-2.9 -5,-0.2 2,-0.4 -0.744 27.2-162.0 -88.5 128.6 -5.2 40.9 14.7 20 21 A M E -A 13 0A 0 -7,-2.7 -7,-2.0 -2,-0.5 2,-0.3 -0.923 7.8-142.5-110.3 139.8 -2.6 38.2 13.7 21 22 A A E +A 12 0A 0 -2,-0.4 40,-2.7 40,-0.3 2,-0.3 -0.728 25.1 161.0-102.3 149.2 -3.2 35.8 10.9 22 23 A Y E -AB 11 60A 20 -11,-2.0 -11,-3.0 -2,-0.3 2,-0.4 -0.987 36.1-121.3-160.2 156.5 -2.4 32.1 10.6 23 24 A I E + B 0 59A 3 36,-2.5 36,-1.8 -2,-0.3 2,-0.3 -0.787 30.9 175.9 -97.2 142.8 -3.2 28.9 8.7 24 25 A D E + B 0 58A 15 -15,-0.4 2,-0.4 -2,-0.4 34,-0.2 -0.828 7.0 162.7-152.4 107.0 -4.4 26.1 10.9 25 26 A E E + B 0 57A 71 32,-2.4 32,-3.1 -2,-0.3 30,-0.1 -0.970 42.1 6.5-130.6 145.4 -5.6 22.8 9.3 26 27 A G S S- 0 0 62 -2,-0.4 2,-0.3 30,-0.2 30,-0.2 -0.252 74.2 -88.4 85.8-174.0 -6.1 19.4 10.6 27 28 A T + 0 0 121 28,-0.3 2,-0.2 29,-0.1 26,-0.1 -0.917 68.2 58.5-139.0 162.3 -6.0 17.9 14.0 28 29 A G S S- 0 0 43 -2,-0.3 27,-0.1 27,-0.2 28,-0.1 -0.699 92.4 -15.6 115.3-169.0 -3.5 16.4 16.4 29 30 A D S S- 0 0 77 -2,-0.2 27,-1.8 25,-0.2 72,-0.1 -0.379 86.5 -91.8 -67.3 149.7 -0.2 17.7 17.9 30 31 A P E -c 56 0A 3 0, 0.0 72,-2.1 0, 0.0 2,-0.5 -0.287 26.9-166.5 -70.8 146.7 1.2 20.7 16.2 31 32 A I E -cd 57 102A 0 25,-2.4 27,-2.5 70,-0.2 2,-0.7 -0.976 25.0-158.2-127.2 109.0 3.6 20.9 13.3 32 33 A L E -cd 58 103A 1 70,-3.0 72,-3.2 -2,-0.5 2,-0.5 -0.853 9.8-166.5-104.1 109.4 4.5 24.6 13.4 33 34 A F E -cd 59 104A 1 25,-2.9 27,-0.7 -2,-0.7 2,-0.5 -0.820 7.4-169.7 -95.7 121.7 5.9 26.2 10.2 34 35 A Q E -cd 60 105A 0 70,-2.7 72,-1.5 -2,-0.5 75,-0.2 -0.935 4.1-159.3-123.7 115.8 7.5 29.7 10.6 35 36 A H - 0 0 0 25,-0.6 2,-0.1 -2,-0.5 6,-0.1 -0.276 7.1-160.9 -76.8 169.0 8.5 31.9 7.7 36 37 A G > + 0 0 0 72,-0.2 3,-1.1 1,-0.2 71,-0.1 -0.149 43.0 12.4-125.2-138.5 11.0 34.7 8.0 37 38 A N T 3 S- 0 0 1 1,-0.3 -1,-0.2 -2,-0.1 3,-0.1 -0.667 122.0 -10.0 -95.5 138.6 11.8 37.8 5.8 38 39 A P T 3 S+ 0 0 1 0, 0.0 -1,-0.3 0, 0.0 165,-0.1 -0.516 117.9 83.4-106.2 43.9 10.1 39.1 3.5 39 40 A T < - 0 0 2 -3,-1.1 27,-0.3 26,-0.1 2,-0.3 -0.014 52.0-158.8 -98.0-161.1 7.8 36.1 3.4 40 41 A S > - 0 0 6 25,-0.1 3,-2.1 -3,-0.1 4,-0.2 -0.882 55.9 -59.1-160.2-171.9 4.6 34.9 5.2 41 42 A S G > S+ 0 0 0 1,-0.3 3,-1.8 -2,-0.3 4,-0.1 0.750 121.0 78.8 -52.5 -24.6 2.8 31.6 5.7 42 43 A Y G > S+ 0 0 19 1,-0.3 3,-1.8 2,-0.2 -1,-0.3 0.771 76.2 74.6 -54.6 -30.5 2.5 31.4 1.9 43 44 A L G < S+ 0 0 2 -3,-2.1 3,-0.3 1,-0.3 -1,-0.3 0.785 98.8 43.9 -52.9 -36.3 6.1 30.2 1.8 44 45 A W G X> S+ 0 0 0 -3,-1.8 4,-2.5 -4,-0.2 3,-1.4 0.269 76.6 114.2 -96.4 9.9 5.0 26.8 3.1 45 46 A R T <4 S+ 0 0 3 -3,-1.8 -1,-0.2 1,-0.3 -2,-0.1 0.781 84.2 36.8 -55.5 -33.2 2.0 26.2 0.9 46 47 A N T 34 S+ 0 0 18 -3,-0.3 -1,-0.3 -4,-0.2 4,-0.2 0.455 117.2 52.8 -99.5 -1.2 3.4 23.3 -1.1 47 48 A I T X4 S+ 0 0 1 -3,-1.4 3,-1.1 2,-0.1 4,-0.4 0.808 97.0 62.1 -98.6 -42.8 5.3 21.7 1.9 48 49 A M G >< S+ 0 0 0 -4,-2.5 3,-2.2 1,-0.2 -2,-0.1 0.857 91.6 67.6 -54.5 -38.0 2.4 21.5 4.4 49 50 A P G > S+ 0 0 57 0, 0.0 3,-2.0 0, 0.0 -1,-0.2 0.853 89.3 65.9 -53.3 -34.7 0.4 19.1 2.2 50 51 A H G < S+ 0 0 52 -3,-1.1 -2,-0.2 1,-0.3 -3,-0.1 0.750 98.9 52.6 -58.1 -25.0 3.0 16.4 2.7 51 52 A C G X> S+ 0 0 0 -3,-2.2 3,-2.6 -4,-0.4 4,-0.6 0.200 75.7 146.8 -97.3 15.2 2.1 16.3 6.4 52 53 A A T <4 S+ 0 0 67 -3,-2.0 4,-0.1 1,-0.3 -26,-0.1 -0.277 75.0 10.7 -53.2 129.7 -1.6 15.8 5.9 53 54 A G T 34 S+ 0 0 83 2,-0.3 -1,-0.3 1,-0.1 3,-0.1 0.397 105.8 94.6 81.1 -3.2 -3.0 13.6 8.7 54 55 A L T <4 S- 0 0 40 -3,-2.6 2,-0.3 1,-0.2 -25,-0.2 0.662 96.1 -39.9 -96.1 -16.6 0.2 13.9 10.8 55 56 A G S < S- 0 0 1 -4,-0.6 2,-0.8 -27,-0.1 -2,-0.3 -0.981 80.0 -52.3 177.5-176.3 -0.8 16.8 13.1 56 57 A R E - c 0 30A 44 -27,-1.8 -25,-2.4 -2,-0.3 2,-0.7 -0.790 59.3-143.9 -81.0 114.3 -2.5 20.1 13.4 57 58 A L E +Bc 25 31A 5 -32,-3.1 -32,-2.4 -2,-0.8 2,-0.4 -0.761 26.2 176.1 -90.1 114.3 -0.7 22.0 10.5 58 59 A I E +Bc 24 32A 0 -27,-2.5 -25,-2.9 -2,-0.7 2,-0.4 -0.957 18.6 177.4-126.0 135.4 -0.1 25.6 11.5 59 60 A A E -Bc 23 33A 0 -36,-1.8 -36,-2.5 -2,-0.4 2,-0.2 -0.922 17.7-156.7-136.8 110.2 1.7 28.5 9.8 60 61 A C E -Bc 22 34A 0 -27,-0.7 2,-0.6 -2,-0.4 -25,-0.6 -0.589 12.7-135.0 -88.8 144.8 1.7 32.0 11.5 61 62 A D - 0 0 0 -40,-2.7 -40,-0.3 -2,-0.2 3,-0.1 -0.881 30.9-123.0 -95.4 118.8 2.2 35.3 9.8 62 63 A L > - 0 0 1 -2,-0.6 3,-2.3 1,-0.1 6,-0.3 -0.179 44.3 -75.6 -58.4 155.0 4.6 37.5 11.9 63 64 A I T 3 S+ 0 0 1 1,-0.3 7,-0.2 21,-0.2 -1,-0.1 -0.177 121.5 15.1 -54.4 138.6 3.3 40.9 13.0 64 65 A G T 3 S+ 0 0 0 5,-2.2 -1,-0.3 1,-0.2 2,-0.3 0.479 115.8 90.9 74.6 3.8 3.2 43.4 10.2 65 66 A M S X S- 0 0 0 -3,-2.3 3,-2.6 4,-0.2 -1,-0.2 -0.806 85.2 -5.7-128.0 166.0 3.6 40.6 7.6 66 67 A G T 3 S- 0 0 7 -27,-0.3 -26,-0.1 -2,-0.3 -44,-0.0 -0.235 129.5 -29.1 49.3-128.3 1.3 38.4 5.6 67 68 A D T 3 S+ 0 0 68 -46,-0.1 -1,-0.3 2,-0.0 2,-0.2 0.252 108.5 114.3-103.8 14.9 -2.2 39.2 6.8 68 69 A S S < S- 0 0 5 -3,-2.6 -48,-0.2 -6,-0.3 -6,-0.1 -0.606 78.0 -90.5 -81.4 145.4 -1.3 40.2 10.3 69 70 A D - 0 0 54 -50,-2.9 -5,-2.2 -2,-0.2 2,-0.2 -0.109 35.7-116.6 -56.0 151.1 -1.9 43.8 11.2 70 71 A K - 0 0 62 -6,-0.2 2,-0.3 -7,-0.2 -1,-0.1 -0.601 30.0-118.5 -82.9 147.1 0.7 46.6 10.8 71 72 A L - 0 0 9 -2,-0.2 7,-0.0 127,-0.1 -1,-0.0 -0.687 28.3-136.7 -88.7 147.6 2.0 48.3 13.9 72 73 A D S S+ 0 0 124 -2,-0.3 2,-0.2 1,-0.1 3,-0.0 -0.906 87.7 48.0-152.8 121.6 1.4 52.1 14.2 73 74 A P S S+ 0 0 98 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.311 84.7 172.1 -62.9 150.4 3.4 54.0 15.2 74 75 A S + 0 0 28 -2,-0.2 124,-0.1 4,-0.1 125,-0.1 -0.966 13.3 115.8-133.9 148.5 6.1 52.6 12.9 75 76 A G S > S- 0 0 12 -2,-0.3 3,-2.2 123,-0.1 0, 0.0 -0.951 78.3 -40.2 175.7-168.3 9.6 53.8 12.2 76 77 A P T 3 S+ 0 0 91 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.720 132.0 51.0 -50.4 -30.2 13.3 52.8 12.6 77 78 A E T 3 S+ 0 0 167 3,-0.0 3,-0.5 2,-0.0 2,-0.2 0.483 94.1 95.6 -89.9 -2.4 12.7 51.5 16.1 78 79 A R S < S+ 0 0 64 -3,-2.2 -4,-0.1 1,-0.2 127,-0.0 -0.546 77.1 21.0 -94.0 156.1 9.7 49.3 15.2 79 80 A Y S S+ 0 0 1 -2,-0.2 -1,-0.2 1,-0.2 2,-0.1 0.788 76.7 158.0 63.1 32.5 9.7 45.6 14.3 80 81 A A > - 0 0 28 -3,-0.5 4,-2.1 1,-0.1 3,-0.3 -0.307 58.9 -95.1 -74.8 169.8 13.0 44.7 16.0 81 82 A Y H > S+ 0 0 1 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.909 123.5 53.0 -53.8 -48.1 13.5 41.0 17.0 82 83 A A H > S+ 0 0 46 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.851 108.6 50.4 -62.6 -32.6 12.3 41.4 20.5 83 84 A E H > S+ 0 0 44 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.908 109.7 50.2 -72.0 -38.3 9.0 43.0 19.4 84 85 A H H X S+ 0 0 2 -4,-2.1 4,-3.0 1,-0.2 -21,-0.2 0.926 111.5 49.6 -62.1 -40.5 8.4 40.2 16.9 85 86 A R H X S+ 0 0 60 -4,-2.4 4,-3.1 1,-0.2 5,-0.3 0.878 106.0 55.6 -65.6 -40.1 9.1 37.7 19.7 86 87 A D H X S+ 0 0 75 -4,-2.0 4,-1.5 -5,-0.2 -1,-0.2 0.941 114.2 39.9 -60.5 -44.1 6.7 39.5 22.1 87 88 A Y H X S+ 0 0 26 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.935 118.2 46.5 -71.1 -46.2 3.9 39.1 19.5 88 89 A L H X S+ 0 0 3 -4,-3.0 4,-2.8 2,-0.2 5,-0.3 0.890 108.0 55.1 -65.6 -39.6 4.7 35.6 18.4 89 90 A D H X S+ 0 0 43 -4,-3.1 4,-2.0 1,-0.2 -1,-0.2 0.951 111.5 47.1 -57.4 -46.0 5.2 34.2 22.0 90 91 A A H X S+ 0 0 27 -4,-1.5 4,-2.9 -5,-0.3 -2,-0.2 0.931 111.7 48.3 -62.2 -47.5 1.7 35.5 22.7 91 92 A L H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.953 112.0 49.6 -58.5 -47.2 0.1 34.0 19.5 92 93 A W H <>S+ 0 0 2 -4,-2.8 5,-0.6 1,-0.2 4,-0.3 0.860 112.0 48.7 -61.0 -36.0 1.8 30.6 20.1 93 94 A E H ><5S+ 0 0 123 -4,-2.0 3,-1.6 -5,-0.3 -1,-0.2 0.942 110.2 51.5 -66.8 -46.1 0.5 30.7 23.7 94 95 A A H 3<5S+ 0 0 53 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.781 99.4 65.9 -60.5 -28.9 -3.0 31.6 22.4 95 96 A L T 3<5S- 0 0 5 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.590 100.1-133.2 -72.7 -10.3 -2.9 28.6 20.0 96 97 A D T < 5 + 0 0 137 -3,-1.6 -3,-0.1 -4,-0.3 -2,-0.1 0.979 37.0 172.9 56.7 65.0 -2.9 26.1 22.8 97 98 A L > < - 0 0 6 -5,-0.6 3,-0.5 1,-0.2 -1,-0.1 0.679 19.9-153.1 -80.1 -21.6 -0.1 24.0 21.4 98 99 A G T 3 - 0 0 36 1,-0.2 -1,-0.2 -69,-0.1 3,-0.2 -0.333 40.1 -60.2 77.9-162.0 0.5 21.5 24.2 99 100 A D T 3 S+ 0 0 95 1,-0.2 -1,-0.2 25,-0.1 -70,-0.0 0.183 114.1 70.0-114.3 17.9 3.9 19.9 24.7 100 101 A R < + 0 0 83 -3,-0.5 2,-0.4 24,-0.1 24,-0.2 -0.450 62.8 158.9-129.9 61.1 4.7 17.9 21.6 101 102 A V E - e 0 124A 0 22,-2.5 24,-1.6 -3,-0.2 25,-1.3 -0.672 29.4-155.2 -88.4 132.1 5.4 20.6 19.0 102 103 A V E -de 31 126A 0 -72,-2.1 -70,-3.0 -2,-0.4 2,-0.4 -0.939 15.9-151.4-105.5 119.3 7.4 20.0 15.9 103 104 A L E -de 32 127A 2 23,-2.3 25,-3.1 -2,-0.6 2,-0.5 -0.756 12.5-171.7 -90.1 134.8 9.0 23.3 14.7 104 105 A V E +de 33 128A 0 -72,-3.2 -70,-2.7 -2,-0.4 2,-0.3 -0.979 25.7 178.5-124.2 114.6 9.7 23.7 10.9 105 106 A V E -de 34 129A 1 23,-2.8 25,-1.3 -2,-0.5 2,-0.3 -0.880 24.5-177.5-134.1 158.8 11.6 26.9 10.5 106 107 A H E > - e 0 130A 0 -72,-1.5 3,-2.4 -2,-0.3 4,-0.5 -0.999 57.0 -35.6-146.6 139.6 13.4 29.3 8.1 107 108 A D E >> S- e 0 132A 13 24,-1.7 4,-1.5 23,-0.8 3,-1.2 -0.151 132.4 -0.2 53.1-129.8 15.4 32.5 8.2 108 109 A W H 3> S+ 0 0 4 1,-0.3 4,-2.6 2,-0.2 -1,-0.3 0.753 131.0 65.8 -64.4 -21.1 14.0 34.8 10.9 109 110 A G H <> S+ 0 0 0 -3,-2.4 4,-2.5 2,-0.2 -1,-0.3 0.843 101.8 49.3 -67.7 -30.0 11.5 32.1 11.7 110 111 A S H <> S+ 0 0 0 -3,-1.2 4,-3.4 -4,-0.5 5,-0.3 0.908 109.1 49.7 -75.6 -42.2 14.4 29.9 12.8 111 112 A A H X S+ 0 0 1 -4,-1.5 4,-1.9 2,-0.2 5,-0.2 0.963 118.2 41.3 -59.3 -46.7 15.9 32.6 15.0 112 113 A L H X S+ 0 0 6 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.921 118.4 46.5 -65.9 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63.9 58.6 -58.6 -25.6 14.1 46.0 -2.9 168 169 A F H 4>S+ 0 0 8 3,-0.2 5,-2.2 2,-0.2 -1,-0.2 0.973 116.1 34.9 -71.3 -46.5 13.9 43.1 -0.4 169 170 A V H 45S+ 0 0 0 -3,-0.3 -2,-0.2 3,-0.2 -1,-0.1 0.923 126.0 39.8 -69.0 -46.8 10.6 41.9 -1.9 170 171 A E H <5S+ 0 0 72 -4,-2.7 -3,-0.2 3,-0.1 -2,-0.2 0.710 133.4 10.8 -80.9 -23.8 11.4 42.9 -5.6 171 172 A Q T X5S+ 0 0 106 -4,-1.8 4,-1.8 -5,-0.3 -3,-0.2 0.742 124.2 46.6-122.9 -50.2 14.9 41.9 -5.9 172 173 A V H >44 S+ 0 0 42 0, 0.0 3,-1.3 0, 0.0 -1,-0.2 0.841 113.6 63.3 -65.1 -27.0 13.3 36.4 -6.5 175 176 A G H 3< S+ 0 0 48 -4,-1.8 -2,-0.2 1,-0.2 -3,-0.2 0.703 104.3 47.7 -67.8 -17.7 17.0 36.7 -6.7 176 177 A L T << S+ 0 0 12 -3,-1.4 96,-1.8 -4,-1.0 95,-1.5 0.078 95.7 81.0-113.4 24.2 17.4 33.9 -4.1 177 178 A I S < S- 0 0 9 -3,-1.3 4,-0.1 94,-0.1 96,-0.1 -0.996 71.5-146.2-123.4 129.1 14.9 31.4 -5.7 178 179 A L S S+ 0 0 100 -2,-0.4 -1,-0.1 94,-0.1 91,-0.1 0.915 78.9 59.6 -66.9 -43.3 16.4 29.4 -8.6 179 180 A R S S- 0 0 53 1,-0.1 2,-0.2 96,-0.0 -2,-0.1 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5.6 200 201 A R G X> S+ 0 0 27 -3,-2.2 3,-1.3 -5,-0.2 4,-0.5 0.468 81.7 104.0 -93.3 -4.6 7.3 47.8 4.3 201 202 A R H X> S+ 0 0 6 -3,-1.4 4,-3.2 -4,-0.3 3,-1.5 0.805 70.4 63.2 -49.8 -37.6 9.3 48.5 7.5 202 203 A P H 3> S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 -1,-0.3 0.909 100.2 53.4 -57.4 -38.9 9.3 44.9 8.6 203 204 A T H <4 S+ 0 0 0 -3,-1.3 -2,-0.2 1,-0.2 -3,-0.1 0.600 115.5 40.6 -73.1 -8.8 11.4 44.0 5.6 204 205 A L H X S+ 0 0 0 -4,-2.1 3,-2.2 -5,-0.3 4,-0.8 0.951 102.0 45.3 -60.3 -52.2 14.8 42.5 9.7 207 208 A P G >4 S+ 0 0 1 0, 0.0 3,-0.7 0, 0.0 -1,-0.2 0.850 108.2 60.6 -62.3 -25.0 18.2 42.8 7.9 208 209 A R G 3< S+ 0 0 43 -4,-1.1 -2,-0.2 1,-0.2 -3,-0.1 0.595 102.9 53.4 -73.3 -8.5 19.1 45.4 10.5 209 210 A Q G <4 S+ 0 0 23 -3,-2.2 -1,-0.2 -4,-0.4 -3,-0.1 0.579 75.1 119.8 -98.9 -16.7 18.7 42.6 13.2 210 211 A I S << S- 0 0 14 -4,-0.8 2,-1.5 -3,-0.7 5,-0.1 -0.286 72.6-119.2 -55.4 129.3 21.0 39.9 11.7 211 212 A P + 0 0 0 0, 0.0 -74,-3.1 0, 0.0 2,-0.4 -0.549 53.8 155.2 -77.0 91.6 23.7 39.2 14.2 212 213 A 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223 A I H X S+ 0 0 27 -4,-1.9 4,-2.3 2,-0.2 5,-0.2 0.943 112.7 46.1 -63.8 -46.3 20.2 35.8 21.8 223 224 A A H X S+ 0 0 1 -4,-2.6 4,-2.7 1,-0.2 5,-0.3 0.876 109.1 55.8 -65.7 -39.2 21.6 33.8 18.9 224 225 A R H X S+ 0 0 172 -4,-2.4 4,-2.3 -5,-0.3 -1,-0.2 0.912 108.6 50.1 -57.7 -41.0 24.7 32.9 21.0 225 226 A D H X S+ 0 0 70 -4,-1.8 4,-1.8 -5,-0.2 -2,-0.2 0.933 114.6 40.1 -64.7 -49.5 22.3 31.5 23.6 226 227 A Y H X S+ 0 0 2 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.848 113.9 54.9 -74.1 -27.6 20.3 29.3 21.3 227 228 A A H X S+ 0 0 7 -4,-2.7 4,-2.2 -5,-0.2 -2,-0.2 0.947 109.6 46.9 -65.9 -45.8 23.4 28.2 19.3 228 229 A G H < S+ 0 0 36 -4,-2.3 4,-0.3 -5,-0.3 -1,-0.2 0.894 115.6 46.8 -61.0 -39.3 25.0 27.0 22.5 229 230 A W H >X S+ 0 0 25 -4,-1.8 3,-1.5 2,-0.2 4,-1.1 0.939 110.9 48.7 -69.7 -49.4 21.9 25.2 23.5 230 231 A L H >< S+ 0 0 0 -4,-2.8 3,-0.6 1,-0.3 -2,-0.2 0.888 103.5 61.7 -59.3 -40.7 21.1 23.5 20.1 231 232 A S T 3< S+ 0 0 33 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.692 117.0 31.7 -61.6 -16.3 24.7 22.2 19.9 232 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0.942 114.8 47.9 -67.6 -48.9 11.4 19.2 1.7 282 283 A G H X S+ 0 0 0 -4,-3.0 4,-3.0 -5,-0.2 5,-0.2 0.927 109.8 52.7 -60.4 -45.7 7.9 18.2 2.5 283 284 A A H X S+ 0 0 51 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.902 110.7 46.4 -58.7 -42.2 8.6 14.5 2.0 284 285 A A H X S+ 0 0 16 -4,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.897 112.7 49.8 -69.4 -37.9 11.6 14.6 4.4 285 286 A I H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.929 111.8 49.0 -64.1 -45.5 9.6 16.6 7.0 286 287 A A H X S+ 0 0 2 -4,-3.0 4,-2.5 2,-0.2 -2,-0.2 0.937 112.0 48.4 -58.3 -46.4 6.8 14.0 6.8 287 288 A A H X S+ 0 0 38 -4,-2.5 4,-1.6 -5,-0.2 -2,-0.2 0.925 111.7 50.4 -61.0 -42.7 9.2 11.1 7.2 288 289 A F H X S+ 0 0 4 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.935 111.4 47.6 -59.6 -47.4 10.8 12.9 10.2 289 290 A V H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.901 108.0 54.9 -65.7 -35.5 7.4 13.4 11.8 290 291 A R H < S+ 0 0 140 -4,-2.5 -1,-0.2 1,-0.2 5,-0.2 0.872 108.1 50.3 -65.0 -32.9 6.3 9.8 11.2 291 292 A R H < S+ 0 0 141 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.899 114.2 44.4 -68.4 -42.3 9.5 8.7 13.0 292 293 A L H < S+ 0 0 35 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.766 121.9 37.8 -74.5 -25.9 8.6 11.1 15.9 293 294 A R S < S- 0 0 45 -4,-2.3 -1,-0.3 -5,-0.2 2,-0.2 -0.540 81.5-162.0-126.4 65.4 4.9 10.0 16.0 294 295 A P 0 0 111 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.264 360.0 360.0 -54.2 115.8 4.9 6.2 15.3 295 296 A A 0 0 172 -5,-0.2 -2,-0.0 -2,-0.2 -5,-0.0 -0.484 360.0 360.0 -92.7 360.0 1.3 5.3 14.3