==== 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 4H77 . COMPND 2 MOLECULE: HALOALKANE DEHALOGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SPHINGOBIUM; . AUTHOR M.OKAI,J.OHTSUKA,F.L.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) . 11317.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 201 68.4 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 . 17 5.8 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 . 82 27.9 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 1 1 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 96 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 178.9 23.2 4.9 29.2 2 3 A L + 0 0 84 276,-0.0 2,-0.2 274,-0.0 274,-0.0 0.041 360.0 137.9 -82.6-165.6 19.8 3.8 28.5 3 4 A G - 0 0 33 1,-0.1 43,-0.1 -2,-0.1 42,-0.0 -0.463 53.4-118.7 134.8 152.2 17.1 3.5 31.2 4 5 A A S S+ 0 0 32 -2,-0.2 -1,-0.1 2,-0.1 41,-0.1 0.509 73.5 110.6-100.4 -7.0 13.5 4.2 31.8 5 6 A K - 0 0 176 1,-0.1 180,-0.0 40,-0.0 2,-0.0 -0.463 69.3-119.9 -68.1 135.6 13.8 6.8 34.6 6 7 A P - 0 0 80 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.299 27.9-108.3 -66.0 161.3 12.9 10.4 33.8 7 8 A F S S- 0 0 42 34,-0.1 39,-0.1 2,-0.0 37,-0.1 -0.804 71.9 -33.0 -90.9 129.1 15.5 13.1 34.2 8 9 A G S S- 0 0 43 -2,-0.5 2,-0.4 37,-0.1 17,-0.1 0.133 92.9 -41.6 58.3-168.9 15.0 15.4 37.2 9 10 A E - 0 0 120 15,-0.1 15,-0.5 1,-0.0 2,-0.3 -0.797 53.3-116.4-104.6 132.0 11.8 16.6 38.8 10 11 A K - 0 0 54 -2,-0.4 2,-0.3 13,-0.1 13,-0.2 -0.507 34.0-166.3 -66.4 124.5 8.7 17.7 36.9 11 12 A K E -A 22 0A 63 11,-3.3 11,-2.3 -2,-0.3 2,-0.4 -0.810 4.1-148.4-109.1 155.6 7.9 21.5 37.6 12 13 A F E +A 21 0A 105 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.964 15.2 176.5-131.2 144.4 4.7 23.3 36.7 13 14 A I E -A 20 0A 45 7,-2.1 7,-2.9 -2,-0.4 2,-0.5 -0.998 32.0-115.5-147.2 140.5 3.8 26.8 35.7 14 15 A E E +A 19 0A 123 -2,-0.3 2,-0.4 5,-0.2 5,-0.3 -0.672 35.7 175.3 -81.3 125.9 0.6 28.6 34.8 15 16 A I E > -A 18 0A 9 3,-3.8 3,-2.5 -2,-0.5 76,-0.1 -0.995 69.3 -17.2-134.0 123.2 0.6 29.8 31.2 16 17 A K T 3 S- 0 0 119 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.868 129.6 -52.0 47.4 42.1 -2.5 31.4 29.5 17 18 A G T 3 S+ 0 0 56 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.509 122.9 98.8 77.4 6.1 -4.6 29.9 32.3 18 19 A R E < S-A 15 0A 57 -3,-2.5 -3,-3.8 51,-0.1 2,-0.5 -0.862 74.0-117.7-119.9 155.6 -3.3 26.4 31.8 19 20 A R E -A 14 0A 124 -2,-0.3 50,-3.2 -5,-0.3 2,-0.4 -0.834 28.1-166.8 -94.3 128.6 -0.6 24.5 33.7 20 21 A M E -A 13 0A 0 -7,-2.9 -7,-2.1 -2,-0.5 2,-0.3 -0.910 10.0-141.3-111.7 145.3 2.5 23.5 31.7 21 22 A A E +A 12 0A 0 -2,-0.4 40,-2.8 40,-0.3 2,-0.3 -0.796 27.7 157.2-107.7 148.6 5.0 20.9 32.9 22 23 A Y E -AB 11 60A 25 -11,-2.3 -11,-3.3 -2,-0.3 2,-0.4 -0.985 38.0-119.5-162.1 160.0 8.8 21.1 32.4 23 24 A I E + B 0 59A 4 36,-2.4 36,-2.2 -2,-0.3 2,-0.3 -0.901 29.2 173.1-104.0 137.4 12.2 20.0 33.6 24 25 A D E + B 0 58A 20 -15,-0.5 2,-0.4 -2,-0.4 34,-0.2 -0.830 9.5 166.3-150.2 101.5 14.6 22.7 34.7 25 26 A E E + B 0 57A 56 32,-2.5 32,-3.3 -2,-0.3 2,-0.1 -0.964 40.2 1.4-126.5 135.5 17.8 21.5 36.3 26 27 A G S S- 0 0 54 -2,-0.4 2,-0.3 30,-0.2 30,-0.2 -0.283 75.1 -80.0 89.8-176.0 21.0 23.3 37.1 27 28 A T S S+ 0 0 126 28,-0.3 2,-0.2 29,-0.1 -2,-0.0 -0.853 72.9 41.3-129.4 161.1 22.3 26.9 36.7 28 29 A G S S- 0 0 53 -2,-0.3 27,-0.1 27,-0.2 26,-0.1 -0.655 96.4 -2.0 105.9-159.6 23.6 29.1 34.0 29 30 A D S S- 0 0 67 -2,-0.2 27,-1.7 25,-0.2 72,-0.1 -0.462 83.7-104.0 -71.9 138.5 22.7 29.6 30.3 30 31 A P E -c 56 0A 1 0, 0.0 72,-2.3 0, 0.0 2,-0.5 -0.309 20.5-161.2 -69.6 147.4 20.0 27.3 29.1 31 32 A I E -cd 57 102A 0 25,-2.8 27,-2.6 70,-0.2 2,-0.7 -0.986 25.6-158.9-119.4 110.8 20.3 24.2 27.1 32 33 A L E -cd 58 103A 0 70,-3.2 72,-3.0 -2,-0.5 2,-0.5 -0.848 8.8-165.4-109.0 110.0 16.7 23.8 25.9 33 34 A F E -cd 59 104A 0 25,-3.2 27,-0.7 -2,-0.7 2,-0.6 -0.835 6.1-166.9-100.2 124.2 15.6 20.4 24.7 34 35 A Q E -cd 60 105A 0 70,-3.0 72,-1.4 -2,-0.5 75,-0.2 -0.919 2.3-160.9-123.2 112.7 12.3 20.3 22.7 35 36 A H - 0 0 0 -2,-0.6 2,-0.1 25,-0.5 6,-0.1 -0.249 7.4-163.8 -70.7 166.5 10.4 17.2 21.9 36 37 A G > + 0 0 0 72,-0.2 3,-1.4 1,-0.1 26,-0.1 -0.237 42.6 11.3-125.4-142.3 7.8 16.8 19.1 37 38 A N T 3 S- 0 0 2 1,-0.3 -1,-0.1 -2,-0.1 71,-0.1 -0.645 121.8 -9.1 -87.8 142.0 5.0 14.3 18.3 38 39 A P T 3 S+ 0 0 1 0, 0.0 -1,-0.3 0, 0.0 165,-0.1 -0.559 117.0 79.5-101.6 47.7 3.9 12.1 20.1 39 40 A T < - 0 0 3 -3,-1.4 27,-0.3 26,-0.1 2,-0.3 0.011 53.7-153.8-104.2-159.2 6.6 12.4 22.8 40 41 A S > - 0 0 8 25,-0.1 3,-2.3 -3,-0.1 4,-0.3 -0.888 54.4 -61.3-157.7-173.3 7.4 14.6 25.8 41 42 A S G > S+ 0 0 2 1,-0.3 3,-2.2 -2,-0.3 4,-0.2 0.800 122.0 78.4 -48.8 -30.8 10.4 15.9 27.8 42 43 A Y G > S+ 0 0 19 1,-0.3 3,-1.8 2,-0.2 -1,-0.3 0.764 76.0 73.9 -50.7 -30.7 10.8 12.1 28.6 43 44 A L G < S+ 0 0 2 -3,-2.3 3,-0.3 1,-0.3 -1,-0.3 0.793 99.3 44.8 -53.1 -31.2 12.4 11.7 25.1 44 45 A W G X> S+ 0 0 0 -3,-2.2 4,-2.8 -4,-0.3 3,-1.8 0.332 77.6 111.2 -98.5 5.8 15.5 13.5 26.3 45 46 A R T <4 S+ 0 0 6 -3,-1.8 -1,-0.2 1,-0.3 -2,-0.1 0.757 84.6 38.4 -59.9 -30.6 15.9 11.7 29.7 46 47 A N T 34 S+ 0 0 19 -3,-0.3 -1,-0.3 -4,-0.2 236,-0.2 0.399 118.7 50.3 -99.5 1.3 19.1 9.7 28.7 47 48 A I T X4 S+ 0 0 0 -3,-1.8 3,-1.5 2,-0.1 4,-0.4 0.811 97.1 62.4-104.4 -45.7 20.6 12.7 26.8 48 49 A M G >< S+ 0 0 0 -4,-2.8 3,-2.0 1,-0.3 -3,-0.1 0.826 91.9 67.4 -53.8 -39.3 20.3 15.6 29.2 49 50 A P G > S+ 0 0 57 0, 0.0 3,-1.7 0, 0.0 -1,-0.3 0.809 90.2 64.4 -51.5 -32.7 22.6 13.9 31.8 50 51 A H G < S+ 0 0 57 -3,-1.5 -2,-0.2 1,-0.3 -3,-0.1 0.727 99.9 53.6 -63.3 -20.9 25.6 14.3 29.4 51 52 A C G X S+ 0 0 0 -3,-2.0 3,-2.4 -4,-0.4 4,-0.5 0.260 76.6 144.2 -97.8 10.7 25.1 18.1 29.7 52 53 A A T < S+ 0 0 69 -3,-1.7 4,-0.1 1,-0.3 -26,-0.1 -0.254 75.1 7.9 -53.7 132.0 25.4 18.1 33.5 53 54 A G T 3 S+ 0 0 84 2,-0.4 -1,-0.3 1,-0.1 3,-0.1 0.443 104.9 97.4 74.2 2.9 27.2 21.2 34.8 54 55 A L S < S- 0 0 41 -3,-2.4 2,-0.3 1,-0.3 -25,-0.2 0.540 98.0 -54.8 -96.8 -10.1 27.3 22.8 31.3 55 56 A G S S- 0 0 6 -4,-0.5 2,-0.7 -27,-0.1 -2,-0.4 -0.987 80.5 -36.4 165.4-164.9 24.2 24.9 31.9 56 57 A R E - c 0 30A 40 -27,-1.7 -25,-2.8 -2,-0.3 2,-0.7 -0.772 57.2-145.6 -89.5 113.9 20.6 25.1 32.9 57 58 A L E +Bc 25 31A 6 -32,-3.3 -32,-2.5 -2,-0.7 2,-0.4 -0.732 24.4 176.3 -93.4 113.7 19.0 21.9 31.5 58 59 A I E +Bc 24 32A 0 -27,-2.6 -25,-3.2 -2,-0.7 2,-0.3 -0.937 15.8 172.2-124.8 134.4 15.4 22.6 30.4 59 60 A A E -Bc 23 33A 0 -36,-2.2 -36,-2.4 -2,-0.4 2,-0.3 -0.889 17.1-159.1-142.7 113.3 12.9 20.3 28.7 60 61 A C E -Bc 22 34A 0 -27,-0.7 2,-0.6 -2,-0.3 -25,-0.5 -0.690 15.2-132.3 -94.4 143.6 9.3 21.5 28.3 61 62 A D - 0 0 0 -40,-2.8 -40,-0.3 -2,-0.3 3,-0.1 -0.842 32.5-122.0 -88.2 120.3 6.2 19.4 27.7 62 63 A L > - 0 0 0 -2,-0.6 3,-2.4 1,-0.1 6,-0.3 -0.192 43.5 -78.3 -56.5 153.4 4.2 20.9 24.8 63 64 A I T 3 S+ 0 0 1 1,-0.3 7,-0.2 21,-0.2 -1,-0.1 -0.237 121.9 16.8 -55.2 140.2 0.6 21.9 25.7 64 65 A G T 3 S+ 0 0 0 5,-2.4 -1,-0.3 1,-0.2 2,-0.3 0.464 115.6 91.7 75.4 -1.2 -1.7 18.8 25.7 65 66 A M S X S- 0 0 0 -3,-2.4 3,-2.3 4,-0.2 -44,-0.3 -0.809 84.8 -9.2-126.5 163.5 1.4 16.5 25.9 66 67 A G T 3 S- 0 0 11 -27,-0.3 -26,-0.1 -2,-0.3 -44,-0.0 -0.244 129.2 -25.2 51.5-128.5 3.5 14.9 28.7 67 68 A D T 3 S+ 0 0 71 -46,-0.1 -1,-0.3 2,-0.0 2,-0.1 0.289 109.3 115.6 -98.7 7.1 2.3 16.4 32.0 68 69 A S S < S- 0 0 7 -3,-2.3 -48,-0.2 -6,-0.3 -6,-0.1 -0.460 75.2 -92.7 -72.9 149.4 1.1 19.6 30.5 69 70 A D - 0 0 55 -50,-3.2 -5,-2.4 -2,-0.1 -4,-0.2 -0.226 35.7-117.2 -59.3 147.9 -2.7 20.4 30.7 70 71 A K - 0 0 48 -6,-0.2 2,-0.6 -7,-0.2 -51,-0.1 -0.547 29.8-112.5 -73.4 151.0 -5.0 19.5 27.9 71 72 A L - 0 0 0 -2,-0.2 7,-0.1 -8,-0.1 -1,-0.0 -0.793 40.1-127.6 -84.0 121.7 -6.8 22.3 26.1 72 73 A D S S+ 0 0 104 -2,-0.6 2,-0.0 1,-0.3 3,-0.0 -0.978 91.2 34.0-121.8 134.1 -10.5 22.2 26.9 73 74 A P S S- 0 0 107 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.414 88.6-171.4 -79.4 132.0 -12.7 22.2 24.9 74 75 A S + 0 0 23 4,-0.1 124,-0.1 -2,-0.0 125,-0.1 -0.569 19.1 132.7 -87.7 154.6 -10.5 20.2 22.5 75 76 A G > - 0 0 12 -2,-0.2 3,-2.0 123,-0.1 0, 0.0 -0.954 68.6 -56.5-178.6-174.8 -11.5 19.4 18.8 76 77 A P T 3 S+ 0 0 94 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.663 129.0 51.6 -58.1 -21.8 -10.3 19.4 15.2 77 78 A E T 3 S+ 0 0 171 3,-0.0 3,-0.4 2,-0.0 2,-0.2 0.472 95.1 91.9 -95.0 -4.1 -9.4 23.1 15.3 78 79 A R S < S+ 0 0 57 -3,-2.0 -4,-0.1 1,-0.2 127,-0.0 -0.548 74.5 29.1 -93.3 155.6 -7.2 22.8 18.5 79 80 A Y S S+ 0 0 0 -2,-0.2 -1,-0.2 1,-0.2 2,-0.0 0.762 74.0 160.3 69.1 29.7 -3.5 22.1 18.8 80 81 A T > - 0 0 39 -3,-0.4 4,-2.6 1,-0.1 5,-0.2 -0.307 58.1-102.6 -64.0 162.8 -2.5 23.7 15.6 81 82 A Y H > S+ 0 0 0 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.924 124.4 54.3 -52.3 -47.0 1.2 24.8 15.3 82 83 A A H > S+ 0 0 29 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.892 109.2 47.2 -58.7 -40.2 0.1 28.4 15.9 83 84 A E H > S+ 0 0 31 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.950 112.0 49.3 -67.9 -46.7 -1.6 27.4 19.2 84 85 A H H X S+ 0 0 1 -4,-2.6 4,-3.1 1,-0.2 5,-0.2 0.900 110.1 52.7 -54.9 -44.6 1.4 25.4 20.3 85 86 A R H X S+ 0 0 55 -4,-2.9 4,-3.0 1,-0.2 5,-0.3 0.878 104.4 55.1 -60.9 -40.9 3.6 28.3 19.5 86 87 A D H X S+ 0 0 84 -4,-2.0 4,-1.6 -5,-0.2 -1,-0.2 0.924 114.6 40.5 -59.4 -43.2 1.5 30.7 21.6 87 88 A Y H X S+ 0 0 14 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.944 117.8 45.8 -71.3 -47.0 1.9 28.4 24.6 88 89 A L H X S+ 0 0 3 -4,-3.1 4,-2.9 2,-0.2 5,-0.2 0.900 111.6 51.8 -64.5 -42.3 5.5 27.5 24.1 89 90 A D H X S+ 0 0 42 -4,-3.0 4,-2.2 -5,-0.2 -1,-0.2 0.926 112.6 47.3 -57.5 -45.1 6.6 31.2 23.4 90 91 A A H X S+ 0 0 32 -4,-1.6 4,-2.4 -5,-0.3 -2,-0.2 0.882 112.3 48.4 -66.6 -37.8 4.8 32.2 26.6 91 92 A L H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.949 111.4 49.5 -67.0 -46.4 6.5 29.4 28.6 92 93 A W H <>S+ 0 0 0 -4,-2.9 5,-0.6 1,-0.2 4,-0.3 0.865 111.7 49.6 -62.5 -36.1 9.9 30.2 27.3 93 94 A E H ><5S+ 0 0 134 -4,-2.2 3,-1.5 -5,-0.2 -1,-0.2 0.943 110.4 50.5 -62.0 -48.3 9.3 33.9 28.2 94 95 A A H 3<5S+ 0 0 50 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.783 101.0 63.7 -61.7 -29.4 8.2 32.9 31.7 95 96 A L T 3<5S- 0 0 7 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.542 100.5-133.0 -75.5 -9.5 11.4 30.7 32.2 96 97 A D T < 5 + 0 0 128 -3,-1.5 -3,-0.1 -4,-0.3 -2,-0.1 0.976 33.8 177.5 56.3 65.3 13.7 33.8 31.9 97 98 A L < - 0 0 3 -5,-0.6 3,-0.5 1,-0.2 -1,-0.1 0.655 21.2-148.6 -79.1 -19.1 16.1 32.1 29.5 98 99 A G - 0 0 33 1,-0.2 -1,-0.2 -69,-0.1 3,-0.2 -0.340 36.9 -63.3 77.0-162.7 18.4 35.1 29.0 99 100 A D S S+ 0 0 103 1,-0.2 -1,-0.2 -2,-0.1 -70,-0.0 0.165 115.1 66.8-118.3 19.3 20.3 35.8 25.8 100 101 A R + 0 0 88 -3,-0.5 2,-0.3 24,-0.1 24,-0.2 -0.469 65.2 162.4-133.7 67.2 22.7 32.8 25.3 101 102 A V E - e 0 124A 0 22,-3.4 24,-2.6 -3,-0.2 25,-1.3 -0.658 28.5-154.4 -92.1 134.2 20.4 29.9 24.7 102 103 A V E -de 31 126A 0 -72,-2.3 -70,-3.2 -2,-0.3 2,-0.4 -0.952 17.1-153.8-101.8 123.0 21.4 26.6 23.1 103 104 A L E -de 32 127A 1 23,-2.5 25,-3.3 -2,-0.6 2,-0.4 -0.820 12.1-171.3 -96.7 138.6 18.4 24.8 21.4 104 105 A V E +de 33 128A 0 -72,-3.0 -70,-3.0 -2,-0.4 2,-0.3 -0.984 23.0 179.5-128.6 116.5 18.3 21.0 21.0 105 106 A V E +de 34 129A 0 23,-2.5 25,-1.3 -2,-0.4 2,-0.3 -0.865 21.4 179.1-133.1 154.8 15.4 20.0 18.8 106 107 A H E > - e 0 130A 0 -72,-1.4 3,-2.1 -2,-0.3 4,-0.4 -0.989 58.7 -32.2-146.2 140.7 13.5 17.1 17.2 107 108 A D E >> S- e 0 132A 17 24,-2.1 3,-1.4 23,-0.6 4,-1.2 -0.150 134.3 -0.6 58.6-131.5 10.4 16.7 14.9 108 109 A W H 3> S+ 0 0 9 1,-0.3 4,-2.7 2,-0.2 -1,-0.3 0.777 129.6 68.7 -65.4 -23.2 7.8 19.3 15.8 109 110 A G H <> S+ 0 0 0 -3,-2.1 4,-2.7 1,-0.2 -1,-0.3 0.821 99.1 51.1 -57.5 -32.9 10.3 20.6 18.4 110 111 A S H <> S+ 0 0 0 -3,-1.4 4,-3.0 -4,-0.4 5,-0.4 0.875 107.9 48.9 -75.4 -39.2 12.4 21.6 15.4 111 112 A V H X S+ 0 0 0 -4,-1.2 4,-1.9 2,-0.2 5,-0.2 0.970 119.1 40.8 -61.9 -48.9 9.6 23.5 13.7 112 113 A L H X S+ 0 0 4 -4,-2.7 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F S << S- 0 0 10 -3,-1.3 5,-0.2 -4,-0.8 105,-0.1 -0.598 96.9 -99.3 -81.5 129.1 8.2 11.6 2.9 143 144 A P >> - 0 0 18 0, 0.0 3,-1.5 0, 0.0 4,-0.7 -0.226 33.4-130.3 -49.2 126.6 9.5 8.1 3.5 144 145 A E G >4 S+ 0 0 144 1,-0.3 3,-1.0 2,-0.2 4,-0.5 0.835 101.5 53.4 -51.3 -46.0 7.7 5.9 1.0 145 146 A Q G 34 S+ 0 0 144 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.714 114.0 43.2 -66.1 -21.6 6.4 3.2 3.4 146 147 A D G <> S+ 0 0 31 -3,-1.5 4,-2.2 1,-0.1 -1,-0.2 0.439 86.4 93.5-105.5 -1.3 4.8 5.7 5.7 147 148 A R H S+ 0 0 127 -4,-0.5 4,-2.2 1,-0.2 -1,-0.2 0.885 111.4 50.0 -60.6 -40.9 -0.2 6.3 3.0 149 150 A L H > S+ 0 0 31 -4,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.941 113.3 44.6 -64.4 -46.9 -0.5 6.3 6.8 150 151 A F H X S+ 0 0 12 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.860 112.3 53.1 -66.5 -34.3 0.4 10.0 7.1 151 152 A Q H < S+ 0 0 69 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.896 107.8 51.9 -62.5 -39.9 -2.0 10.7 4.2 152 153 A A H >< S+ 0 0 27 -4,-2.2 3,-1.1 1,-0.2 6,-0.5 0.885 105.3 53.8 -65.6 -39.0 -4.6 8.8 6.2 153 154 A F H 3< S+ 0 0 0 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96,-0.0 -2,-0.0 -0.681 95.5 -99.8 -94.6 149.5 15.5 -1.2 19.6 180 181 A P - 0 0 118 0, 0.0 2,-0.2 0, 0.0 -2,-0.1 -0.437 37.6-131.0 -67.7 133.3 12.7 -2.7 21.5 181 182 A L - 0 0 34 -2,-0.2 2,-0.1 -4,-0.1 -4,-0.0 -0.531 20.1-119.4 -80.7 149.7 11.2 -0.4 24.1 182 183 A S > - 0 0 51 -2,-0.2 4,-2.4 1,-0.1 5,-0.3 -0.394 26.3-105.4 -80.4 167.5 10.6 -1.7 27.7 183 184 A E H > S+ 0 0 177 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.913 122.6 49.5 -54.1 -45.1 7.2 -1.9 29.4 184 185 A A H > S+ 0 0 54 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.880 108.9 52.1 -67.7 -38.9 8.2 1.2 31.5 185 186 A E H > S+ 0 0 5 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.956 112.1 44.3 -63.3 -47.9 9.3 3.2 28.5 186 187 A M H X S+ 0 0 21 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.877 110.1 57.1 -64.0 -35.1 6.0 2.6 26.6 187 188 A A H X S+ 0 0 44 -4,-2.2 4,-1.7 -5,-0.3 -1,-0.2 0.918 106.7 49.4 -60.5 -41.2 4.0 3.3 29.8 188 189 A A H < S+ 0 0 25 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.887 113.9 45.4 -64.7 -39.2 5.7 6.7 30.0 189 190 A Y H < S+ 0 0 3 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.851 116.8 43.5 -74.2 -34.4 4.9 7.5 26.4 190 191 A R H >< S+ 0 0 71 -4,-2.8 3,-2.3 -5,-0.2 -2,-0.2 0.748 90.2 89.7 -82.7 -18.3 1.3 6.3 26.5 191 192 A E G >< S+ 0 0 120 -4,-1.7 3,-1.1 1,-0.3 4,-0.2 0.819 86.8 47.0 -50.5 -47.9 0.5 8.0 29.9 192 193 A P G 3 S+ 0 0 23 0, 0.0 -1,-0.3 0, 0.0 3,-0.1 0.650 120.3 43.3 -67.2 -8.8 -0.7 11.4 28.5 193 194 A F G < S+ 0 0 1 -3,-2.3 -2,-0.2 -4,-0.1 7,-0.1 -0.026 71.6 117.0-129.4 25.0 -2.8 9.4 26.0 194 195 A L < + 0 0 111 -3,-1.1 2,-0.4 5,-0.1 -1,-0.1 0.835 65.7 72.9 -64.3 -35.2 -4.4 6.6 28.0 195 196 A A S S- 0 0 57 -4,-0.2 5,-0.2 -3,-0.1 4,-0.1 -0.676 84.1-125.3 -86.9 132.1 -7.9 7.9 27.4 196 197 A A S S+ 0 0 70 -2,-0.4 2,-0.3 3,-0.1 3,-0.3 -0.372 74.1 29.0 -66.6 153.6 -9.5 7.5 24.0 197 198 A G S > S+ 0 0 26 -34,-2.2 3,-2.2 1,-0.2 4,-0.2 -0.732 119.4 1.0 101.3-144.6 -10.8 10.7 22.4 198 199 A E G > S+ 0 0 64 -2,-0.3 3,-2.0 1,-0.3 -1,-0.2 0.713 114.0 75.0 -62.9 -22.3 -9.7 14.3 22.7 199 200 A A G 3 S+ 0 0 23 -3,-0.3 -1,-0.3 1,-0.3 -3,-0.1 0.833 101.4 46.8 -53.0 -31.3 -6.8 13.5 25.1 200 201 A R G X> S+ 0 0 24 -3,-2.2 3,-1.4 -5,-0.2 4,-0.6 0.449 80.6 105.6 -89.8 -2.1 -5.1 12.2 22.0 201 202 A R H X> S+ 0 0 7 -3,-2.0 4,-3.2 1,-0.3 3,-1.4 0.823 71.3 60.5 -54.0 -38.9 -5.9 15.2 19.8 202 203 A P H 3> S+ 0 0 0 0, 0.0 4,-1.9 0, 0.0 -1,-0.3 0.882 100.7 55.3 -57.9 -33.0 -2.4 16.6 19.8 203 204 A T H <4 S+ 0 0 0 -3,-1.4 -2,-0.2 1,-0.2 -3,-0.1 0.630 115.9 38.2 -78.3 -10.8 -1.1 13.4 18.2 204 205 A L H X S+ 0 0 0 -4,-1.9 3,-1.9 -5,-0.3 4,-0.7 0.959 103.7 43.5 -59.2 -56.8 0.3 17.4 14.5 207 208 A P H >4 S+ 0 0 0 0, 0.0 3,-0.7 0, 0.0 -1,-0.2 0.844 110.8 58.3 -60.1 -27.1 0.4 15.3 11.4 208 209 A R H 3< S+ 0 0 54 -4,-1.4 -2,-0.2 1,-0.2 -3,-0.1 0.643 105.9 50.7 -72.0 -13.5 -2.3 17.5 10.0 209 210 A Q H << S+ 0 0 22 -3,-1.9 -1,-0.2 -4,-0.7 -3,-0.1 0.494 76.1 124.0-100.7 -8.8 -0.0 20.5 10.4 210 211 A I S << S- 0 0 14 -3,-0.7 2,-1.3 -4,-0.7 5,-0.1 -0.329 71.0-119.6 -57.6 129.0 3.1 19.1 8.7 211 212 A P + 0 0 0 0, 0.0 -74,-2.9 0, 0.0 2,-0.4 -0.600 55.6 153.6 -74.4 96.2 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0.862 135.5 47.5-103.6 -52.4 13.1 8.8 13.6 272 273 A F > + 0 0 0 -96,-1.8 3,-2.2 -99,-0.2 4,-0.3 -0.460 69.8 162.8 -88.9 64.9 13.0 8.8 17.4 273 274 A I G >> + 0 0 0 -2,-1.8 4,-2.6 1,-0.3 3,-1.2 0.642 57.0 78.5 -69.4 -14.7 16.8 8.4 17.4 274 275 A Q G 34 S+ 0 0 2 1,-0.3 -1,-0.3 2,-0.2 -228,-0.1 0.734 93.4 52.8 -61.6 -24.6 17.0 9.5 21.1 275 276 A E G <4 S+ 0 0 1 -3,-2.2 -1,-0.3 2,-0.1 -2,-0.2 0.624 115.4 38.9 -86.3 -14.3 15.9 6.0 22.0 276 277 A D T <4 S+ 0 0 33 -3,-1.2 -2,-0.2 -4,-0.3 3,-0.1 0.802 131.0 17.3-101.0 -39.2 18.6 4.3 19.9 277 278 A S X + 0 0 6 -4,-2.6 4,-2.5 1,-0.1 5,-0.2 -0.288 68.6 144.6-133.8 49.1 21.7 6.4 20.4 278 279 A P H > S+ 0 0 4 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.867 76.6 49.3 -62.3 -36.0 21.2 8.6 23.5 279 280 A D H > S+ 0 0 57 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.909 112.7 46.1 -71.1 -40.0 24.8 8.4 24.6 280 281 A E H > S+ 0 0 104 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.902 116.8 46.0 -66.2 -40.4 26.2 9.3 21.2 281 282 A I H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.950 114.5 46.5 -66.7 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