==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 20-SEP-12 4H7K . COMPND 2 MOLECULE: HALOALKANE DEHALOGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SPHINGOBIUM; . AUTHOR M.OKAI,J.OHTSUKA,L.F.IMAI,T.MASE,R.MORIUCHI,M.TSUDA,K.NAGATA . 294 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11404.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 200 68.0 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 . 14 4.8 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 . 43 14.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 80 27.2 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 1 0 2 2 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 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 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 0 102 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 172.9 23.4 -31.1 -7.2 2 3 A L + 0 0 83 274,-0.0 2,-0.2 276,-0.0 273,-0.0 -0.021 360.0 136.9 -74.1-166.9 19.9 -32.3 -8.2 3 4 A G - 0 0 34 1,-0.1 43,-0.1 -2,-0.0 42,-0.0 -0.479 55.5-116.6 133.8 153.6 17.2 -32.6 -5.5 4 5 A A S S+ 0 0 29 -2,-0.2 -1,-0.1 2,-0.1 41,-0.1 0.575 73.7 109.6 -97.9 -14.5 13.5 -31.9 -4.9 5 6 A K - 0 0 172 1,-0.1 180,-0.0 40,-0.0 2,-0.0 -0.400 69.7-119.8 -65.2 135.1 13.8 -29.3 -2.0 6 7 A P - 0 0 83 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.317 28.8-108.2 -66.9 160.6 12.9 -25.7 -2.9 7 8 A F S S- 0 0 41 34,-0.1 39,-0.1 2,-0.0 37,-0.1 -0.794 72.0 -33.8 -90.9 130.2 15.6 -23.0 -2.5 8 9 A G S S- 0 0 45 -2,-0.5 2,-0.4 37,-0.1 17,-0.1 0.029 93.3 -41.9 59.3-162.2 15.0 -20.7 0.5 9 10 A E - 0 0 120 15,-0.1 15,-0.5 13,-0.0 2,-0.4 -0.842 51.8-118.0-109.0 135.4 11.8 -19.4 2.0 10 11 A K E -A 23 0A 52 -2,-0.4 2,-0.3 13,-0.1 13,-0.2 -0.601 32.9-166.1 -72.3 126.9 8.7 -18.2 0.1 11 12 A K E -A 22 0A 56 11,-3.3 11,-2.3 -2,-0.4 2,-0.4 -0.807 4.7-146.9-108.9 157.9 7.9 -14.5 0.8 12 13 A F E +A 21 0A 112 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.955 15.6 177.5-130.6 144.9 4.7 -12.7 -0.0 13 14 A I E -A 20 0A 46 7,-2.1 7,-2.8 -2,-0.4 2,-0.5 -0.997 31.9-114.0-147.0 142.2 3.8 -9.2 -1.0 14 15 A E E +A 19 0A 121 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.672 36.0 175.1 -83.0 123.9 0.6 -7.4 -2.0 15 16 A I E > -A 18 0A 9 3,-3.6 3,-2.0 -2,-0.5 76,-0.1 -0.993 69.1 -18.4-131.8 121.8 0.5 -6.3 -5.6 16 17 A K T 3 S- 0 0 125 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.881 128.9 -51.9 48.1 43.4 -2.6 -4.7 -7.2 17 18 A G T 3 S+ 0 0 56 1,-0.2 2,-0.3 -3,-0.0 -1,-0.3 0.601 123.1 98.6 72.7 13.4 -4.7 -6.2 -4.4 18 19 A R E < S-A 15 0A 57 -3,-2.0 -3,-3.6 -5,-0.1 2,-0.5 -0.897 74.2-117.3-124.8 155.5 -3.3 -9.7 -4.9 19 20 A R E -A 14 0A 135 -2,-0.3 50,-3.2 -5,-0.2 2,-0.4 -0.838 27.7-166.2 -95.7 127.7 -0.6 -11.6 -3.1 20 21 A M E -A 13 0A 0 -7,-2.8 -7,-2.1 -2,-0.5 2,-0.3 -0.917 9.4-142.3-110.4 144.3 2.4 -12.6 -5.1 21 22 A A E +A 12 0A 0 -2,-0.4 40,-2.7 40,-0.3 2,-0.3 -0.778 27.0 158.0-105.9 148.7 5.0 -15.1 -3.9 22 23 A Y E -AB 11 60A 25 -11,-2.3 -11,-3.3 -2,-0.3 2,-0.4 -0.989 37.9-119.5-161.9 157.4 8.8 -14.9 -4.4 23 24 A I E +AB 10 59A 5 36,-2.9 36,-2.1 -2,-0.3 2,-0.3 -0.896 29.8 173.0-100.2 136.6 12.2 -16.1 -3.1 24 25 A D E + B 0 58A 26 -15,-0.5 2,-0.4 -2,-0.4 34,-0.2 -0.837 9.6 165.1-146.6 101.5 14.6 -13.3 -2.0 25 26 A E E + B 0 57A 57 32,-2.7 32,-3.3 -2,-0.3 30,-0.1 -0.957 39.7 1.4-126.4 139.0 17.8 -14.5 -0.4 26 27 A G S S- 0 0 54 -2,-0.4 2,-0.3 30,-0.2 30,-0.2 -0.242 75.5 -76.8 86.3-175.4 21.1 -12.8 0.4 27 28 A T S S+ 0 0 126 28,-0.3 2,-0.2 29,-0.1 -2,-0.0 -0.846 72.9 36.6-128.6 160.1 22.4 -9.2 -0.0 28 29 A G S S+ 0 0 52 -2,-0.3 27,-0.1 27,-0.2 26,-0.1 -0.666 96.6 0.8 104.8-156.0 23.7 -6.9 -2.7 29 30 A D S S- 0 0 66 -2,-0.2 27,-1.6 25,-0.2 72,-0.1 -0.484 84.0-103.4 -73.4 137.9 22.8 -6.5 -6.4 30 31 A P E -c 56 0A 1 0, 0.0 72,-2.2 0, 0.0 2,-0.5 -0.261 20.6-161.7 -65.7 145.4 20.0 -8.8 -7.6 31 32 A I E -cd 57 102A 0 25,-2.8 27,-2.4 70,-0.2 2,-0.6 -0.984 26.6-158.5-117.7 110.2 20.4 -11.9 -9.7 32 33 A L E -cd 58 103A 0 70,-3.4 72,-3.3 -2,-0.5 2,-0.5 -0.846 9.9-165.3-108.7 111.4 16.8 -12.2 -10.9 33 34 A F E -cd 59 104A 0 25,-3.1 27,-0.8 -2,-0.6 2,-0.5 -0.840 5.7-167.6-101.4 123.6 15.6 -15.6 -12.1 34 35 A Q E -cd 60 105A 0 70,-2.7 72,-1.3 -2,-0.5 75,-0.2 -0.924 2.2-161.5-122.1 112.4 12.3 -15.7 -14.1 35 36 A H - 0 0 1 -2,-0.5 2,-0.1 25,-0.5 6,-0.1 -0.246 7.4-163.6 -70.3 167.0 10.4 -18.9 -14.9 36 37 A G > + 0 0 0 72,-0.2 3,-1.4 1,-0.2 71,-0.1 -0.260 42.0 11.6-127.2-140.3 7.8 -19.3 -17.6 37 38 A N T 3 S- 0 0 2 1,-0.3 -1,-0.2 -2,-0.1 71,-0.1 -0.626 122.2 -8.8 -89.4 143.1 5.0 -21.7 -18.4 38 39 A P T 3 S+ 0 0 1 0, 0.0 -1,-0.3 0, 0.0 165,-0.1 -0.585 117.0 81.2-100.5 44.8 3.9 -24.0 -16.6 39 40 A T < - 0 0 3 -3,-1.4 27,-0.3 26,-0.1 2,-0.3 0.045 53.1-153.8-101.4-160.8 6.6 -23.6 -14.0 40 41 A S > - 0 0 9 25,-0.1 3,-2.4 -3,-0.1 4,-0.2 -0.889 54.4 -62.6-156.8-175.4 7.4 -21.4 -10.9 41 42 A S G > S+ 0 0 2 1,-0.3 3,-2.1 -2,-0.3 4,-0.1 0.786 121.9 79.2 -46.9 -28.1 10.4 -20.2 -8.9 42 43 A Y G > S+ 0 0 18 1,-0.3 3,-1.9 2,-0.2 -1,-0.3 0.770 75.2 73.8 -53.5 -30.8 10.8 -24.0 -8.2 43 44 A L G < S+ 0 0 2 -3,-2.4 3,-0.3 1,-0.3 -1,-0.3 0.776 98.7 45.5 -53.3 -29.5 12.4 -24.3 -11.6 44 45 A W G X> S+ 0 0 0 -3,-2.1 4,-2.7 -4,-0.2 3,-1.7 0.299 76.8 112.2-100.0 7.9 15.6 -22.6 -10.3 45 46 A R T <4 S+ 0 0 7 -3,-1.9 -1,-0.2 1,-0.3 -2,-0.1 0.773 84.5 37.0 -63.0 -30.7 16.0 -24.5 -7.0 46 47 A N T 34 S+ 0 0 19 -3,-0.3 -1,-0.3 -4,-0.2 236,-0.2 0.373 119.0 51.0 -99.6 1.9 19.2 -26.3 -8.0 47 48 A I T X4 S+ 0 0 1 -3,-1.7 3,-1.6 2,-0.1 4,-0.4 0.805 97.1 62.3-103.6 -46.2 20.6 -23.4 -9.9 48 49 A M G >< S+ 0 0 0 -4,-2.7 3,-2.1 1,-0.3 -2,-0.1 0.829 91.1 67.6 -53.4 -38.9 20.3 -20.5 -7.5 49 50 A P G > S+ 0 0 55 0, 0.0 3,-1.6 0, 0.0 -1,-0.3 0.788 89.8 66.1 -54.6 -28.4 22.7 -22.1 -4.9 50 51 A H G < S+ 0 0 62 -3,-1.6 -2,-0.2 1,-0.3 -3,-0.1 0.744 98.9 52.5 -62.7 -23.5 25.6 -21.7 -7.3 51 52 A C G X S+ 0 0 0 -3,-2.1 3,-2.4 -4,-0.4 4,-0.5 0.235 77.2 145.5 -97.8 13.4 25.2 -17.9 -6.9 52 53 A A T < S+ 0 0 67 -3,-1.6 4,-0.1 1,-0.3 -26,-0.1 -0.274 76.0 6.3 -55.7 131.4 25.4 -18.0 -3.1 53 54 A G T 3 S+ 0 0 85 2,-0.4 -1,-0.3 1,-0.1 3,-0.1 0.424 105.2 98.2 74.0 1.6 27.1 -14.8 -1.9 54 55 A L S < S- 0 0 46 -3,-2.4 2,-0.3 1,-0.3 -25,-0.2 0.525 97.8 -52.3 -96.2 -8.6 27.3 -13.3 -5.4 55 56 A G S S- 0 0 5 -4,-0.5 2,-0.7 -27,-0.1 -2,-0.4 -0.983 81.2 -38.2 166.4-167.5 24.3 -11.1 -4.8 56 57 A R E - c 0 30A 40 -27,-1.6 -25,-2.8 -2,-0.3 2,-0.6 -0.763 57.4-145.9 -85.3 114.7 20.7 -10.9 -3.8 57 58 A L E +Bc 25 31A 6 -32,-3.3 -32,-2.7 -2,-0.7 2,-0.4 -0.753 24.1 175.9 -95.9 113.6 19.0 -14.1 -5.2 58 59 A I E +Bc 24 32A 0 -27,-2.4 -25,-3.1 -2,-0.6 2,-0.3 -0.945 16.1 172.8-125.0 133.3 15.4 -13.5 -6.3 59 60 A A E -Bc 23 33A 0 -36,-2.1 -36,-2.9 -2,-0.4 2,-0.3 -0.924 17.3-159.3-140.4 115.0 12.9 -15.8 -8.1 60 61 A C E -Bc 22 34A 0 -27,-0.8 2,-0.6 -2,-0.3 -25,-0.5 -0.706 15.3-132.3 -96.7 144.6 9.3 -14.6 -8.4 61 62 A D - 0 0 0 -40,-2.7 -40,-0.3 -2,-0.3 3,-0.1 -0.863 31.9-123.7 -90.3 117.9 6.2 -16.7 -9.0 62 63 A L > - 0 0 1 -2,-0.6 3,-2.2 1,-0.1 6,-0.3 -0.187 43.8 -76.4 -56.1 153.5 4.2 -15.1 -11.9 63 64 A I T 3 S+ 0 0 1 1,-0.3 7,-0.2 21,-0.2 -1,-0.1 -0.211 121.4 15.5 -53.9 138.8 0.6 -14.2 -11.1 64 65 A G T 3 S+ 0 0 0 5,-2.2 2,-0.3 1,-0.2 -1,-0.3 0.500 115.6 92.5 74.9 2.3 -1.7 -17.3 -11.0 65 66 A M S X S- 0 0 0 -3,-2.2 3,-2.3 4,-0.2 -1,-0.2 -0.832 84.3 -8.5-127.9 163.4 1.4 -19.5 -10.8 66 67 A G T 3 S- 0 0 11 -27,-0.3 -26,-0.1 -2,-0.3 -44,-0.0 -0.271 129.2 -26.4 52.1-128.4 3.5 -21.1 -8.0 67 68 A D T 3 S+ 0 0 69 -46,-0.0 -1,-0.3 2,-0.0 2,-0.1 0.258 109.3 116.0 -99.2 9.1 2.3 -19.7 -4.7 68 69 A S S < S- 0 0 7 -3,-2.3 -48,-0.2 -6,-0.3 -6,-0.1 -0.480 75.9 -92.2 -75.5 151.3 1.0 -16.4 -6.2 69 70 A D - 0 0 58 -50,-3.2 -5,-2.2 -2,-0.1 -4,-0.2 -0.233 36.1-117.9 -61.9 147.7 -2.7 -15.6 -6.0 70 71 A K - 0 0 50 -6,-0.2 2,-0.3 -7,-0.2 -51,-0.1 -0.544 30.6-111.2 -74.2 151.4 -5.0 -16.6 -8.8 71 72 A L - 0 0 0 -2,-0.2 3,-0.3 -8,-0.1 -1,-0.1 -0.665 39.5-126.3 -78.2 140.0 -6.8 -13.8 -10.6 72 73 A D S S+ 0 0 102 1,-0.3 2,-0.0 -2,-0.3 3,-0.0 -0.988 91.6 30.4-139.4 132.6 -10.5 -13.8 -9.9 73 74 A P S S- 0 0 108 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.431 89.4-172.2 -77.4 129.5 -12.7 -13.9 -11.9 74 75 A S + 0 0 21 -3,-0.3 124,-0.1 4,-0.1 125,-0.1 -0.569 18.0 136.3 -85.3 153.8 -10.5 -15.8 -14.3 75 76 A G > - 0 0 12 -2,-0.2 3,-2.2 123,-0.1 0, 0.0 -0.960 67.4 -57.9-175.4-174.1 -11.6 -16.6 -17.9 76 77 A P T 3 S+ 0 0 93 0, 0.0 -2,-0.0 0, 0.0 83,-0.0 0.656 129.1 51.9 -59.3 -17.2 -10.4 -16.7 -21.6 77 78 A E T 3 S+ 0 0 172 3,-0.0 3,-0.4 2,-0.0 2,-0.2 0.466 94.9 90.7 -98.3 -2.1 -9.4 -13.0 -21.5 78 79 A R S < S+ 0 0 53 -3,-2.2 -4,-0.1 1,-0.2 127,-0.0 -0.574 74.2 31.6 -93.7 157.5 -7.3 -13.3 -18.3 79 80 A Y S S+ 0 0 0 -2,-0.2 -1,-0.2 1,-0.2 2,-0.0 0.779 73.5 159.9 69.2 30.5 -3.5 -14.0 -17.9 80 81 A T > - 0 0 40 -3,-0.4 4,-2.5 1,-0.1 5,-0.2 -0.309 58.5-103.0 -65.1 163.6 -2.5 -12.3 -21.2 81 82 A Y H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.919 124.5 54.7 -53.0 -46.0 1.2 -11.3 -21.5 82 83 A A H > S+ 0 0 30 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.890 108.7 47.1 -58.4 -41.5 0.1 -7.7 -20.9 83 84 A E H > S+ 0 0 33 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.929 112.2 49.4 -68.4 -43.8 -1.6 -8.6 -17.6 84 85 A H H X S+ 0 0 2 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.895 109.8 52.9 -58.5 -42.9 1.3 -10.7 -16.4 85 86 A R H X S+ 0 0 54 -4,-2.8 4,-3.0 1,-0.2 5,-0.3 0.880 104.3 55.2 -62.5 -41.3 3.6 -7.8 -17.2 86 87 A D H X S+ 0 0 85 -4,-1.9 4,-1.5 -5,-0.2 -1,-0.2 0.925 114.3 40.9 -56.3 -45.5 1.5 -5.4 -15.2 87 88 A Y H X S+ 0 0 14 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.923 117.9 45.3 -68.9 -45.8 1.9 -7.6 -12.1 88 89 A L H X S+ 0 0 3 -4,-2.8 4,-3.0 2,-0.2 5,-0.2 0.902 111.3 52.2 -68.3 -41.3 5.5 -8.5 -12.6 89 90 A D H X S+ 0 0 41 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.912 112.8 47.0 -55.9 -45.7 6.5 -4.9 -13.3 90 91 A A H X S+ 0 0 34 -4,-1.5 4,-2.3 -5,-0.3 -2,-0.2 0.887 112.4 48.7 -68.5 -38.3 4.8 -3.9 -10.1 91 92 A L H X S+ 0 0 0 -4,-2.3 4,-1.4 2,-0.2 -2,-0.2 0.931 111.8 49.1 -64.4 -46.0 6.4 -6.7 -8.1 92 93 A W H <>S+ 0 0 1 -4,-3.0 5,-0.7 1,-0.2 4,-0.3 0.855 111.7 49.4 -64.6 -35.2 9.9 -5.8 -9.4 93 94 A E H ><5S+ 0 0 131 -4,-2.1 3,-1.4 -5,-0.2 -1,-0.2 0.930 110.0 51.4 -64.1 -46.1 9.3 -2.2 -8.6 94 95 A A H 3<5S+ 0 0 50 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.749 100.8 63.8 -63.5 -25.0 8.2 -3.1 -5.1 95 96 A L T 3<5S- 0 0 8 -4,-1.4 -1,-0.2 -5,-0.1 -2,-0.2 0.531 99.7-132.3 -80.7 -8.5 11.4 -5.3 -4.5 96 97 A D T < 5 + 0 0 132 -3,-1.4 -3,-0.1 -4,-0.3 -2,-0.1 0.974 35.0 175.8 56.1 63.7 13.7 -2.3 -4.8 97 98 A L < - 0 0 4 -5,-0.7 3,-0.5 1,-0.2 -1,-0.1 0.677 21.9-150.9 -76.8 -20.7 16.1 -3.9 -7.2 98 99 A G - 0 0 33 1,-0.2 -1,-0.2 -69,-0.1 3,-0.2 -0.402 36.5 -61.1 78.3-157.0 18.4 -0.9 -7.7 99 100 A D S S+ 0 0 103 1,-0.2 -1,-0.2 -2,-0.1 -70,-0.0 0.198 114.9 65.9-123.0 17.6 20.4 -0.3 -10.9 100 101 A R + 0 0 89 -3,-0.5 2,-0.4 24,-0.1 24,-0.2 -0.495 65.8 162.9-132.1 66.5 22.8 -3.3 -11.4 101 102 A V E - e 0 124A 0 22,-3.2 24,-2.6 -3,-0.2 25,-1.3 -0.681 28.3-154.3 -89.9 133.4 20.4 -6.2 -12.1 102 103 A V E -de 31 126A 0 -72,-2.2 -70,-3.4 -2,-0.4 2,-0.4 -0.947 17.0-153.7-101.3 121.5 21.5 -9.5 -13.6 103 104 A L E -de 32 127A 1 23,-2.4 25,-3.2 -2,-0.6 2,-0.5 -0.797 11.5-170.4 -95.0 137.6 18.5 -11.2 -15.3 104 105 A V E -de 33 128A 0 -72,-3.3 -70,-2.7 -2,-0.4 2,-0.3 -0.983 23.4-178.3-126.7 117.0 18.4 -15.0 -15.7 105 106 A V E +de 34 129A 0 23,-2.5 25,-1.4 -2,-0.5 2,-0.3 -0.847 22.0 177.6-132.0 156.0 15.5 -16.0 -17.9 106 107 A H E > - e 0 130A 0 -72,-1.3 3,-2.2 -2,-0.3 4,-0.4 -0.986 58.1 -34.3-149.0 137.7 13.6 -18.9 -19.5 107 108 A D E >> S+ e 0 132A 18 24,-1.9 3,-1.5 23,-0.7 4,-1.2 -0.167 133.0 0.1 59.7-130.5 10.5 -19.4 -21.8 108 109 A W H 3> S+ 0 0 9 1,-0.3 4,-2.7 2,-0.2 -1,-0.3 0.793 130.1 67.0 -64.8 -23.8 7.9 -16.7 -20.9 109 110 A G H <> S+ 0 0 0 -3,-2.2 4,-2.4 1,-0.2 -1,-0.3 0.794 99.2 52.1 -62.7 -29.1 10.3 -15.5 -18.3 110 111 A S H <> S+ 0 0 0 -3,-1.5 4,-2.8 -4,-0.4 5,-0.3 0.869 107.6 48.7 -76.3 -37.8 12.5 -14.5 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4,-0.6 0.951 103.9 43.5 -60.6 -54.6 0.4 -18.7 -22.2 207 208 A P H >4 S+ 0 0 0 0, 0.0 3,-0.8 0, 0.0 -1,-0.2 0.852 111.1 58.2 -63.8 -27.7 0.5 -20.9 -25.4 208 209 A R H 3< S+ 0 0 58 -4,-1.5 -2,-0.2 1,-0.2 -3,-0.1 0.683 105.3 51.3 -69.1 -17.4 -2.3 -18.7 -26.8 209 210 A Q H << S+ 0 0 23 -3,-1.5 -1,-0.2 -4,-0.7 -3,-0.1 0.483 75.6 123.4 -97.4 -8.5 0.1 -15.6 -26.4 210 211 A I S << S- 0 0 16 -3,-0.8 2,-1.2 -4,-0.6 5,-0.1 -0.376 71.4-118.6 -60.5 128.0 3.1 -17.0 -28.2 211 212 A P + 0 0 0 0, 0.0 -74,-3.0 0, 0.0 2,-0.4 -0.574 54.5 155.4 -72.2 96.5 4.1 -14.6 -31.0 212 213 A I B > -hI 137 215B 2 3,-2.4 3,-1.7 -2,-1.2 -74,-0.2 -0.994 64.2 -14.8-132.0 127.4 3.7 -16.9 -34.0 213 214 A A T 3 S- 0 0 47 -76,-2.3 -75,-0.1 -2,-0.4 -1,-0.1 0.850 128.7 -51.0 48.8 42.6 2.9 -15.8 -37.6 214 215 A G T 3 S+ 0 0 39 -77,-0.5 -1,-0.3 1,-0.1 6,-0.1 0.385 100.6 145.9 86.0 -1.7 1.9 -12.3 -36.4 215 216 A T B < +I 212 0B 87 -3,-1.7 -3,-2.4 1,-0.2 -1,-0.1 -0.976 59.7 26.7-127.3 133.5 -0.6 -13.3 -33.7 216 217 A P S > S- 0 0 20 0, 0.0 4,-2.2 0, 0.0 3,-0.3 0.542 81.5-156.4 -77.6 144.9 -1.2 -12.0 -31.1 217 218 A A H > S+ 0 0 73 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.828 86.4 55.3 -61.3 -36.8 -0.1 -8.7 -32.6 218 219 A D H > S+ 0 0 73 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.935 111.5 42.6 -64.4 -44.5 0.8 -7.0 -29.3 219 220 A V H > S+ 0 0 0 -3,-0.3 4,-2.6 2,-0.2 5,-0.2 0.896 111.6 56.2 -69.6 -38.1 3.2 -9.7 -28.2 220 221 A V H X S+ 0 0 27 -4,-2.2 4,-2.8 1,-0.2 -1,-0.2 0.930 109.1 47.2 -53.9 -46.0 4.7 -9.9 -31.7 221 222 A A H X S+ 0 0 55 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.891 111.2 50.7 -67.7 -39.2 5.4 -6.2 -31.5 222 223 A I H X S+ 0 0 20 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.911 114.0 44.2 -61.2 -43.1 7.0 -6.5 -28.1 223 224 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.881 111.7 53.0 -74.1 -36.2 9.2 -9.3 -29.2 224 225 A R H X S+ 0 0 190 -4,-2.8 4,-2.1 -5,-0.2 -1,-0.2 0.919 110.0 50.5 -59.1 -44.3 10.1 -7.5 -32.4 225 226 A D H X S+ 0 0 82 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.930 114.3 40.8 -60.8 -52.4 11.1 -4.5 -30.3 226 227 A Y H X S+ 0 0 0 -4,-2.3 4,-3.1 1,-0.2 5,-0.2 0.829 110.6 58.8 -71.9 -27.2 13.4 -6.4 -27.9 227 228 A A H X S+ 0 0 7 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.941 109.1 44.3 -62.2 -47.4 14.8 -8.5 -30.8 228 229 A G H < S+ 0 0 38 -4,-2.1 4,-0.4 1,-0.2 -2,-0.2 0.928 116.5 47.5 -62.0 -44.5 16.1 -5.3 -32.5 229 230 A W H >X S+ 0 0 29 -4,-2.0 4,-1.7 1,-0.2 3,-1.5 0.926 111.0 48.5 -63.1 -48.8 17.4 -3.9 -29.2 230 231 A L H 3< S+ 0 0 0 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.842 103.8 62.1 -63.0 -32.4 19.2 -7.1 -28.1 231 232 A S T 3< S+ 0 0 38 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.636 118.1 28.3 -68.7 -13.5 20.8 -7.4 -31.5 232 233 A E T <4 S+ 0 0 162 -3,-1.5 -2,-0.2 -4,-0.4 -1,-0.2 0.509 92.7 111.8-119.5 -14.2 22.5 -4.0 -30.9 233 234 A S < - 0 0 5 -4,-1.7 -4,-0.0 1,-0.1 -3,-0.0 -0.432 53.5-153.3 -72.9 133.9 22.8 -3.8 -27.1 234 235 A P + 0 0 103 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.408 54.5 127.6 -84.7 4.9 26.4 -3.9 -25.6 235 236 A I S S- 0 0 19 1,-0.1 -109,-0.1 -109,-0.0 -110,-0.1 -0.382 73.0-102.6 -57.8 132.0 25.0 -5.3 -22.3 236 237 A P - 0 0 37 0, 0.0 -109,-1.9 0, 0.0 2,-0.3 -0.350 45.2-163.8 -61.6 142.1 26.9 -8.5 -21.5 237 238 A K E -fg 127 262A 1 24,-2.4 26,-2.6 -111,-0.2 2,-0.5 -0.945 20.6-158.4-129.7 146.2 25.0 -11.7 -22.3 238 239 A L E -fg 128 263A 2 -111,-2.5 -109,-2.8 -2,-0.3 2,-0.7 -0.981 11.9-165.2-121.7 116.5 25.3 -15.4 -21.5 239 240 A F E -fg 129 264A 0 24,-3.0 26,-1.7 -2,-0.5 2,-1.0 -0.902 4.3-160.5-100.8 112.1 23.5 -17.7 -23.9 240 241 A I E - g 0 265A 1 -111,-2.8 -109,-0.5 -2,-0.7 26,-0.2 -0.829 16.6-162.8 -92.7 98.8 23.0 -21.2 -22.4 241 242 A N E - g 0 266A 6 24,-2.7 26,-2.5 -2,-1.0 2,-0.4 -0.419 4.9-142.3 -74.9 155.3 22.5 -23.3 -25.6 242 243 A A E - g 0 267A 1 6,-0.4 26,-0.2 24,-0.2 28,-0.1 -0.953 8.2-118.5-127.6 146.6 20.9 -26.8 -25.3 243 244 A E E S- g 0 268A 123 24,-2.1 26,-2.3 -2,-0.4 27,-0.0 -0.993 106.6 -2.1-123.4 120.3 21.4 -30.1 -27.0 244 245 A P E S+ g 0 269A 68 0, 0.0 -1,-0.2 0, 0.0 26,-0.2 -0.988 103.1 174.1 -72.7 -13.9 19.1 -31.2 -28.5 245 246 A G - 0 0 9 24,-3.0 26,-0.2 -4,-0.1 4,-0.1 -0.224 21.7-143.1 68.4-170.5 17.3 -28.1 -27.2 246 247 A H S S+ 0 0 16 24,-0.3 3,-0.2 25,-0.1 25,-0.1 0.169 77.5 17.7-152.7 -83.9 13.8 -27.2 -28.3 247 248 A L S S+ 0 0 14 1,-0.2 2,-1.8 23,-0.2 5,-0.2 0.917 116.7 60.1 -73.2 -46.3 12.7 -23.6 -28.9 248 249 A T S S+ 0 0 0 4,-0.1 -6,-0.4 5,-0.1 2,-0.3 -0.514 87.6 94.9 -91.3 70.0 16.2 -21.9 -29.2 249 250 A T S >> S+ 0 0 37 -2,-1.8 3,-1.2 -3,-0.2 4,-0.9 -0.803 72.0 16.5-140.7 177.9 17.4 -23.9 -32.2 250 251 A G H 3> S- 0 0 41 -2,-0.3 4,-2.6 1,-0.3 3,-0.4 -0.200 132.2 -9.7 52.1-134.6 17.4 -23.2 -36.0 251 252 A R H 3> S+ 0 0 120 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.801 133.7 63.0 -69.2 -29.5 16.7 -19.6 -36.9 252 253 A M H <> S+ 0 0 0 -3,-1.2 4,-1.7 -5,-0.2 -1,-0.2 0.911 113.0 36.2 -57.7 -42.5 15.8 -18.7 -33.3 253 254 A R H X S+ 0 0 43 -4,-0.9 4,-2.3 -3,-0.4 -2,-0.2 0.841 111.4 59.2 -79.6 -39.3 19.4 -19.6 -32.3 254 255 A D H < S+ 0 0 94 -4,-2.6 4,-0.2 1,-0.2 -2,-0.2 0.934 110.0 47.0 -53.2 -44.1 20.9 -18.3 -35.5 255 256 A F H >< S+ 0 0 46 -4,-2.6 3,-1.9 1,-0.2 -2,-0.2 0.949 111.6 45.7 -65.0 -51.8 19.4 -14.9 -34.6 256 257 A C H >< S+ 0 0 0 -4,-1.7 3,-1.9 1,-0.3 -1,-0.2 0.819 101.8 68.0 -67.9 -23.4 20.5 -14.8 -30.9 257 258 A R T 3< S+ 0 0 109 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.616 92.8 61.7 -68.4 -7.9 24.0 -15.9 -31.9 258 259 A T T < S+ 0 0 87 -3,-1.9 -1,-0.3 -4,-0.2 -2,-0.2 0.495 78.5 116.9 -90.6 -4.7 24.3 -12.5 -33.6 259 260 A W < - 0 0 9 -3,-1.9 3,-0.4 -4,-0.2 -28,-0.2 -0.413 68.4-110.9 -73.0 138.3 23.9 -10.7 -30.3 260 261 A P S S+ 0 0 46 0, 0.0 -1,-0.1 0, 0.0 -23,-0.1 -0.207 86.9 12.8 -67.2 155.2 26.8 -8.6 -29.1 261 262 A N S S+ 0 0 100 1,-0.2 -24,-2.4 -25,-0.1 2,-0.4 0.896 89.7 154.3 54.9 51.0 29.1 -9.1 -26.2 262 263 A Q E -g 237 0A 45 -3,-0.4 2,-0.3 -26,-0.2 -24,-0.2 -0.926 36.0-160.3-123.6 134.3 27.9 -12.7 -25.6 263 264 A T E -g 238 0A 61 -26,-2.6 -24,-3.0 -2,-0.4 2,-0.4 -0.840 18.7-162.7-100.9 144.9 29.4 -15.8 -24.0 264 265 A E E +g 239 0A 69 -2,-0.3 2,-0.3 -26,-0.2 -24,-0.2 -0.993 15.5 173.9-132.6 140.6 27.9 -19.2 -24.9 265 266 A I E -g 240 0A 57 -26,-1.7 -24,-2.7 -2,-0.4 2,-0.4 -0.922 23.8-134.3-128.4 161.4 28.0 -22.7 -23.4 266 267 A T E +g 241 0A 80 -2,-0.3 2,-0.3 -26,-0.2 -24,-0.2 -0.973 24.4 178.7-115.4 131.4 26.1 -25.8 -24.5 267 268 A V E -g 242 0A 10 -26,-2.5 -24,-2.1 -2,-0.4 2,-0.2 -0.876 36.2 -93.1-122.5 162.7 24.4 -28.1 -21.9 268 269 A A E S+g 243 0A 54 -2,-0.3 2,-0.2 -26,-0.2 8,-0.1 -0.532 73.1 92.0 -71.3 135.3 22.2 -31.2 -22.2 269 270 A G E -g 244 0A 0 -26,-2.3 -24,-3.0 -2,-0.2 -92,-0.1 -0.832 56.2-134.1 159.6 166.1 18.5 -30.7 -22.3 270 271 A A S S- 0 0 10 -94,-0.5 -24,-0.3 -2,-0.2 3,-0.2 0.584 80.5 -39.2-106.2 -92.9 15.4 -30.1 -24.4 271 272 A H S S+ 0 0 7 -95,-1.6 2,-2.0 -26,-0.2 3,-0.2 0.867 135.0 47.9-103.6 -55.1 13.2 -27.3 -23.2 272 273 A F > + 0 0 0 -96,-1.7 3,-2.0 -99,-0.2 4,-0.3 -0.438 69.9 163.3 -85.6 66.4 13.1 -27.3 -19.4 273 274 A I G >> + 0 0 0 -2,-2.0 4,-2.6 1,-0.3 3,-1.2 0.652 57.4 78.1 -69.1 -17.2 16.9 -27.6 -19.3 274 275 A Q G 34 S+ 0 0 2 1,-0.3 -1,-0.3 -3,-0.2 -228,-0.1 0.762 94.0 52.2 -59.3 -27.6 17.1 -26.6 -15.6 275 276 A E G <4 S+ 0 0 1 -3,-2.0 -1,-0.3 2,-0.1 -2,-0.2 0.613 115.1 40.3 -85.1 -13.5 15.9 -30.1 -14.7 276 277 A D T <4 S+ 0 0 34 -3,-1.2 -2,-0.2 -4,-0.3 -7,-0.1 0.813 130.9 16.2-101.7 -40.0 18.6 -31.8 -16.9 277 278 A S X + 0 0 6 -4,-2.6 4,-2.4 1,-0.1 5,-0.2 -0.295 69.4 146.9-131.7 51.5 21.8 -29.8 -16.3 278 279 A P H > S+ 0 0 4 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.856 76.1 47.1 -61.2 -36.4 21.2 -27.6 -13.2 279 280 A D H > S+ 0 0 53 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.890 112.4 48.4 -73.7 -37.6 24.9 -27.6 -12.0 280 281 A E H > S+ 0 0 103 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.900 116.0 45.8 -65.3 -41.1 26.3 -26.8 -15.5 281 282 A I H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.954 114.5 46.6 -65.4 -50.3 23.8 -24.0 -15.8 282 283 A G H X S+ 0 0 0 -4,-2.9 4,-2.7 -5,-0.2 -2,-0.2 0.899 110.9 52.4 -59.3 -44.2 24.5 -22.7 -12.2 283 284 A A H X S+ 0 0 49 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.907 111.2 47.4 -59.0 -43.0 28.3 -22.9 -12.7 284 285 A A H X S+ 0 0 14 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.905 112.4 48.2 -66.4 -43.1 28.0 -20.8 -15.9 285 286 A I H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.926 112.0 50.1 -62.3 -44.9 25.7 -18.2 -14.4 286 287 A A H X S+ 0 0 2 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.908 111.2 48.1 -61.3 -44.0 28.0 -17.9 -11.3 287 288 A A H X S+ 0 0 27 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.910 111.7 50.8 -61.4 -44.2 31.1 -17.4 -13.5 288 289 A F H X S+ 0 0 6 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.940 112.3 46.5 -56.5 -51.6 29.2 -14.8 -15.6 289 290 A V H X S+ 0 0 1 -4,-2.8 4,-1.6 1,-0.2 -2,-0.2 0.888 108.5 55.5 -62.5 -40.3 28.2 -12.9 -12.5 290 291 A R H < S+ 0 0 136 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.900 109.8 46.8 -59.2 -39.4 31.8 -13.1 -11.0 291 292 A R H < S+ 0 0 139 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.825 113.9 47.9 -70.8 -32.5 33.1 -11.5 -14.2 292 293 A L H < S+ 0 0 34 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.709 120.1 39.0 -75.6 -22.9 30.4 -8.8 -14.0 293 294 A R < 0 0 52 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.1 -0.447 360.0 360.0-130.2 58.9 31.1 -8.2 -10.4 294 295 A P 0 0 155 0, 0.0 -3,-0.1 0, 0.0 -4,-0.0 -0.231 360.0 360.0 -70.2 360.0 34.9 -8.3 -9.8