==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-FEB-08 3CBT . COMPND 2 MOLECULE: PHOSPHATASE SC4828; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES COELICOLOR A3(2); . AUTHOR A.U.SINGER,X.XU,C.CHANG,H.ZHENG,A.M.EDWARDS,A.JOACHIMIAK, . 210 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10495.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 136 64.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 63 30.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.0 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 . 11 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 31 14.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.4 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 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 1 0 1 2 3 0 2 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 . 0 0 0 0 0 0 0 0 0 0 1 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 23 A G 0 0 108 0, 0.0 2,-0.4 0, 0.0 32,-0.0 0.000 360.0 360.0 360.0-147.6 -6.1 8.3 22.0 2 24 A H - 0 0 108 30,-0.0 2,-0.3 0, 0.0 30,-0.1 -0.893 360.0-116.3-115.5 146.7 -4.4 10.4 19.3 3 25 A W - 0 0 52 -2,-0.4 29,-0.1 1,-0.1 3,-0.1 -0.564 32.0-115.9 -76.6 140.4 -1.4 12.7 19.6 4 26 A A > - 0 0 61 -2,-0.3 3,-2.1 1,-0.1 25,-0.2 -0.435 41.1 -91.3 -69.2 144.3 -1.9 16.4 19.1 5 27 A P T 3 S+ 0 0 93 0, 0.0 25,-0.2 0, 0.0 -1,-0.1 -0.344 117.5 34.9 -52.0 138.7 -0.1 18.0 16.1 6 28 A G T 3 S+ 0 0 28 23,-3.0 24,-0.1 1,-0.4 -2,-0.1 0.176 86.9 136.3 95.9 -15.5 3.3 19.2 17.2 7 29 A S < - 0 0 36 -3,-2.1 22,-3.1 22,-0.2 2,-0.5 -0.300 53.8-128.2 -60.6 145.0 3.7 16.4 19.7 8 30 A H E +A 28 0A 99 20,-0.2 2,-0.2 -3,-0.1 20,-0.2 -0.912 39.6 157.1 -98.6 125.3 7.1 14.7 19.8 9 31 A I E -A 27 0A 8 18,-2.3 18,-2.8 -2,-0.5 2,-0.4 -0.789 38.4-108.4-134.4 176.2 7.1 10.9 19.4 10 32 A L E -Ab 26 122A 6 111,-2.1 113,-2.4 -2,-0.2 2,-0.6 -0.933 15.3-157.8-111.3 132.8 9.5 8.1 18.4 11 33 A W E -Ab 25 123A 0 14,-2.5 14,-2.3 -2,-0.4 2,-0.3 -0.964 31.9-179.3-104.6 119.3 9.2 6.1 15.1 12 34 A R E -Ab 24 124A 0 111,-2.9 113,-2.2 -2,-0.6 2,-0.4 -0.902 28.5-158.2-128.8 152.9 11.1 2.9 15.7 13 35 A Y E -Ab 23 125A 7 10,-2.2 9,-2.5 -2,-0.3 10,-2.2 -0.988 20.2-135.4-122.2 138.1 12.1 -0.4 14.2 14 36 A R E -A 21 0A 40 111,-2.5 113,-0.5 -2,-0.4 7,-0.3 -0.468 35.8 -91.4 -75.8 155.2 13.1 -3.6 16.0 15 37 A E > - 0 0 45 5,-2.8 3,-1.3 -2,-0.1 2,-0.4 -0.236 59.7 -83.4 -52.8 155.5 16.1 -5.7 15.0 16 38 A N T 3 S- 0 0 55 1,-0.3 -1,-0.1 -3,-0.1 4,-0.1 -0.556 110.5 -3.3 -73.4 122.1 15.2 -8.4 12.6 17 39 A G T 3 S+ 0 0 88 -2,-0.4 -1,-0.3 1,-0.2 -2,-0.0 0.570 120.7 83.7 77.6 9.4 13.9 -11.4 14.4 18 40 A G S < S- 0 0 21 -3,-1.3 -1,-0.2 2,-0.2 -4,-0.0 -0.882 79.0-116.6-142.3 173.8 14.4 -10.0 17.9 19 41 A P S S+ 0 0 83 0, 0.0 2,-0.1 0, 0.0 -2,-0.1 0.654 75.5 98.6 -86.6 -19.8 12.9 -7.7 20.5 20 42 A H S S- 0 0 128 1,-0.1 -5,-2.8 -6,-0.1 2,-0.4 -0.416 74.9-112.5 -82.2 147.8 15.4 -4.8 20.8 21 43 A V E +A 14 0A 12 185,-0.3 -7,-0.3 -7,-0.3 3,-0.1 -0.624 35.9 168.4 -74.3 127.7 15.1 -1.4 19.1 22 44 A H E + 0 0 24 -9,-2.5 2,-0.4 -2,-0.4 52,-0.3 0.623 68.4 41.4-111.9 -21.7 17.7 -0.8 16.3 23 45 A I E +A 13 0A 30 -10,-2.2 -10,-2.2 26,-0.2 2,-0.4 -0.997 60.9 170.0-125.1 132.9 16.2 2.3 14.7 24 46 A A E -AC 12 48A 0 24,-1.6 24,-2.5 -2,-0.4 -12,-0.2 -0.953 5.8-178.0-143.0 121.7 14.7 5.2 16.7 25 47 A R E -A 11 0A 32 -14,-2.3 -14,-2.5 -2,-0.4 2,-0.3 -0.962 22.4-138.4-126.8 110.5 13.8 8.4 15.1 26 48 A P E +A 10 0A 2 0, 0.0 2,-0.3 0, 0.0 16,-0.3 -0.555 35.9 177.1 -62.6 128.1 12.3 11.4 17.0 27 49 A V E -A 9 0A 0 -18,-2.8 -18,-2.3 -2,-0.3 2,-0.5 -0.922 31.1-122.0-134.5 160.3 9.5 12.9 14.9 28 50 A T E -AD 8 40A 1 12,-2.4 12,-2.9 -2,-0.3 2,-0.3 -0.887 33.1-118.8-104.6 131.0 6.9 15.7 15.1 29 51 A V E + D 0 39A 0 -22,-3.1 -23,-3.0 -2,-0.5 10,-0.3 -0.528 32.8 174.7 -71.6 125.7 3.3 14.6 14.7 30 52 A V E S- 0 0 19 8,-3.0 2,-0.3 1,-0.4 9,-0.2 0.790 71.5 -8.0 -93.5 -45.5 1.7 16.3 11.7 31 53 A R E - D 0 38A 120 7,-1.8 7,-3.0 -27,-0.1 -1,-0.4 -0.980 57.4-179.8-151.1 145.0 -1.7 14.4 11.9 32 54 A D E + D 0 37A 14 -2,-0.3 2,-0.2 5,-0.2 5,-0.2 -0.812 29.9 121.9-151.4 105.0 -3.0 11.6 13.9 33 55 A D E > S- D 0 36A 58 3,-2.4 3,-0.7 -2,-0.3 -30,-0.1 -0.850 74.1 -69.7-148.5-174.5 -6.6 10.3 13.5 34 56 A A T 3 S+ 0 0 76 -2,-0.2 3,-0.1 1,-0.2 0, 0.0 0.720 128.9 37.3 -55.3 -28.9 -8.6 7.2 12.6 35 57 A D T 3 S+ 0 0 127 1,-0.3 2,-0.3 53,-0.1 -1,-0.2 0.626 122.2 13.7-100.1 -17.2 -7.5 7.2 9.0 36 58 A L E < -D 33 0A 18 -3,-0.7 -3,-2.4 52,-0.2 2,-0.5 -0.962 41.9-155.1-164.2 137.9 -3.8 8.3 9.2 37 59 A L E -DE 32 87A 6 50,-2.7 50,-2.7 -2,-0.3 2,-0.4 -0.990 25.8-178.0-108.4 126.6 -0.7 9.0 11.2 38 60 A A E +DE 31 86A 0 -7,-3.0 -8,-3.0 -2,-0.5 -7,-1.8 -0.993 3.6 176.5-123.3 130.7 1.6 11.6 9.6 39 61 A V E -DE 29 85A 0 46,-2.7 46,-2.7 -2,-0.4 2,-0.5 -0.958 22.6-134.8-134.0 156.7 4.9 12.6 11.1 40 62 A W E -DE 28 84A 20 -12,-2.9 -12,-2.4 -2,-0.3 2,-0.7 -0.942 6.9-161.7-115.1 125.1 7.8 14.8 10.1 41 63 A L E - E 0 83A 0 42,-3.0 42,-2.0 -2,-0.5 -14,-0.1 -0.918 23.5-149.0-103.7 108.3 11.5 13.8 10.5 42 64 A A > - 0 0 11 -2,-0.7 3,-1.5 -16,-0.3 36,-0.2 -0.460 20.2-100.8 -83.2 146.6 13.5 17.0 10.4 43 65 A P T 3 S+ 0 0 69 0, 0.0 -1,-0.1 0, 0.0 38,-0.1 -0.334 108.6 29.4 -59.1 147.3 17.0 17.3 9.1 44 66 A G T 3 S+ 0 0 30 34,-0.7 2,-0.2 36,-0.3 35,-0.1 0.422 83.6 147.0 84.7 1.5 19.6 17.4 11.9 45 67 A T < - 0 0 0 -3,-1.5 33,-2.7 32,-0.1 2,-0.4 -0.485 53.4-118.9 -73.1 133.9 17.5 15.2 14.2 46 68 A E E + F 0 77A 59 153,-0.5 2,-0.3 31,-0.2 31,-0.2 -0.627 46.1 171.0 -73.2 123.3 19.5 12.8 16.5 47 69 A C E - F 0 76A 8 29,-2.7 29,-2.7 -2,-0.4 2,-0.4 -0.847 31.9-123.8-125.7 164.5 18.5 9.2 15.7 48 70 A V E +CF 24 75A 1 -24,-2.5 -24,-1.6 -2,-0.3 27,-0.2 -0.886 33.6 165.8-105.5 141.5 19.6 5.7 16.4 49 71 A K E - F 0 74A 96 25,-2.3 25,-2.7 -2,-0.4 -26,-0.2 -0.977 36.1 -99.7-147.3 158.6 20.4 3.2 13.7 50 72 A P E + F 0 73A 20 0, 0.0 8,-0.5 0, 0.0 2,-0.3 -0.458 35.5 177.8 -78.3 153.7 22.2 -0.2 13.4 51 73 A V E - F 0 72A 4 21,-2.3 21,-3.0 6,-0.1 5,-0.1 -0.961 40.0 -90.2-143.6 154.0 25.8 -0.6 12.4 52 74 A L E > - F 0 71A 2 4,-2.6 3,-2.3 -2,-0.3 19,-0.3 -0.352 40.6-113.8 -62.3 151.7 27.9 -3.7 12.1 53 75 A A T 3 S+ 0 0 64 17,-2.5 18,-0.1 1,-0.3 -1,-0.1 0.805 118.1 55.8 -62.9 -25.4 29.8 -4.5 15.3 54 76 A D T 3 S- 0 0 112 16,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.439 125.7-101.2 -86.2 3.8 33.1 -3.8 13.6 55 77 A G S < S+ 0 0 41 -3,-2.3 -2,-0.1 1,-0.3 3,-0.0 0.302 74.8 142.3 96.9 -7.0 31.9 -0.3 12.6 56 78 A T - 0 0 35 1,-0.1 -4,-2.6 -5,-0.1 -1,-0.3 -0.497 58.3-112.9 -65.8 126.1 30.9 -1.1 9.0 57 79 A P >> - 0 0 47 0, 0.0 3,-1.4 0, 0.0 4,-1.2 -0.363 24.6-123.5 -53.6 135.3 27.8 0.7 7.8 58 80 A V G >4 S+ 0 0 25 -8,-0.5 3,-0.9 1,-0.3 -7,-0.1 0.899 111.5 52.3 -48.4 -46.3 25.1 -1.8 7.2 59 81 A H G 34 S+ 0 0 128 1,-0.2 -1,-0.3 4,-0.0 4,-0.1 0.719 108.6 52.5 -67.5 -19.4 24.6 -0.6 3.5 60 82 A L G <4 S+ 0 0 112 -3,-1.4 -1,-0.2 2,-0.1 -2,-0.2 0.606 84.7 98.3 -90.8 -18.2 28.4 -1.0 2.9 61 83 A E S << S- 0 0 9 -4,-1.2 5,-0.1 -3,-0.9 6,-0.0 -0.594 91.5-100.7 -69.3 130.3 28.7 -4.6 4.1 62 84 A P >> - 0 0 80 0, 0.0 3,-2.1 0, 0.0 4,-1.3 -0.242 33.0-113.8 -49.1 141.6 28.6 -7.0 1.2 63 85 A L H 3> S+ 0 0 42 1,-0.3 4,-0.5 2,-0.2 3,-0.2 0.795 111.4 66.8 -51.0 -37.1 25.1 -8.5 0.7 64 86 A A H 34 S+ 0 0 71 1,-0.2 -1,-0.3 2,-0.1 -3,-0.0 0.710 119.3 20.4 -59.0 -23.0 26.4 -12.0 1.6 65 87 A T H X> S+ 0 0 42 -3,-2.1 4,-2.3 3,-0.1 3,-1.2 0.397 94.3 101.7-126.4 -4.0 27.2 -11.0 5.2 66 88 A R H 3< S+ 0 0 28 -4,-1.3 -2,-0.1 1,-0.3 -3,-0.1 0.806 95.6 31.6 -52.7 -35.5 25.0 -7.8 5.6 67 89 A Y T 3< S+ 0 0 29 -4,-0.5 -1,-0.3 1,-0.1 -2,-0.1 0.324 119.9 51.6-110.1 3.9 22.3 -9.8 7.6 68 90 A T T <4 S+ 0 0 82 -3,-1.2 -2,-0.2 2,-0.1 -3,-0.1 0.719 84.2 89.7-111.6 -29.7 24.5 -12.3 9.3 69 91 A K S < S- 0 0 88 -4,-2.3 -4,-0.0 1,-0.1 0, 0.0 -0.351 89.4 -91.7 -68.3 148.6 27.3 -10.3 11.0 70 92 A P - 0 0 95 0, 0.0 -17,-2.5 0, 0.0 -16,-0.3 -0.264 46.7-154.9 -56.0 146.6 26.7 -9.1 14.6 71 93 A R E -F 52 0A 64 -19,-0.3 2,-0.3 -18,-0.1 -19,-0.2 -0.859 16.4-178.3-122.3 157.1 25.2 -5.6 14.9 72 94 A T E -F 51 0A 71 -21,-3.0 -21,-2.3 -2,-0.3 2,-0.3 -0.777 29.6-103.3-134.7-174.2 25.1 -2.9 17.4 73 95 A V E -F 50 0A 47 -2,-0.3 2,-0.3 -23,-0.2 -50,-0.1 -0.855 26.0-166.9-113.5 151.9 23.4 0.5 17.5 74 96 A Q E -F 49 0A 83 -25,-2.7 -25,-2.3 -2,-0.3 2,-0.5 -0.990 15.3-138.4-131.8 147.1 24.9 4.0 17.0 75 97 A R E +F 48 0A 119 -2,-0.3 2,-0.3 -27,-0.2 -27,-0.2 -0.872 41.7 139.7 -97.8 132.3 23.5 7.5 17.7 76 98 A D E -F 47 0A 92 -29,-2.7 -29,-2.7 -2,-0.5 2,-0.1 -0.977 54.9 -76.6-162.5 167.8 24.1 10.1 15.0 77 99 A Q E -F 46 0A 110 -2,-0.3 -31,-0.2 -31,-0.2 -32,-0.1 -0.438 57.5 -97.9 -68.5 139.9 22.4 13.0 13.2 78 100 A W - 0 0 44 -33,-2.7 -34,-0.7 -36,-0.2 2,-0.5 -0.325 44.4-119.8 -52.3 134.9 19.9 12.0 10.5 79 101 A F - 0 0 191 -36,-0.1 -1,-0.1 -3,-0.1 2,-0.1 -0.720 60.4 -26.0 -89.5 126.4 21.6 12.1 7.2 80 102 A G S S+ 0 0 41 -2,-0.5 -36,-0.3 -36,-0.0 -2,-0.0 -0.289 101.5 3.1 86.2-157.7 20.3 14.5 4.5 81 103 A T S S- 0 0 69 1,-0.1 -37,-0.1 -38,-0.1 19,-0.0 -0.131 79.0 -94.3 -68.1 158.7 16.9 16.0 3.8 82 104 A G - 0 0 1 -39,-0.1 17,-0.5 1,-0.0 2,-0.4 -0.154 32.4-140.2 -71.1 168.3 13.8 15.5 6.0 83 105 A V E -E 41 0A 0 -42,-2.0 -42,-3.0 15,-0.1 2,-0.6 -0.998 4.9-151.3-135.0 129.8 11.1 12.9 5.5 84 106 A L E -EG 40 97A 0 13,-1.7 13,-2.8 -2,-0.4 2,-0.4 -0.921 23.3-161.3 -93.8 123.5 7.3 13.1 5.9 85 107 A K E -EG 39 96A 0 -46,-2.7 -46,-2.7 -2,-0.6 2,-0.4 -0.924 8.1-171.3-113.0 133.8 6.1 9.6 6.8 86 108 A L E +EG 38 95A 3 9,-2.5 9,-2.9 -2,-0.4 2,-0.4 -0.965 6.2 175.5-123.0 135.4 2.4 8.5 6.4 87 109 A A E -EG 37 94A 6 -50,-2.7 -50,-2.7 -2,-0.4 7,-0.2 -0.979 21.2-143.9-143.5 131.9 0.8 5.3 7.7 88 110 A R > - 0 0 84 5,-0.6 3,-2.3 -2,-0.4 5,-0.2 -0.743 41.8 -95.6 -90.1 139.4 -2.7 4.0 7.7 89 111 A P T 3 S+ 0 0 89 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.231 107.5 7.4 -53.8 133.8 -3.8 2.0 10.8 90 112 A G T 3 S+ 0 0 64 26,-0.4 2,-0.3 1,-0.2 27,-0.0 0.284 96.3 132.5 83.7 -10.1 -3.4 -1.7 10.2 91 113 A E < - 0 0 38 -3,-2.3 2,-1.0 2,-0.1 25,-0.4 -0.607 60.2-132.8 -86.2 137.1 -1.7 -1.3 6.9 92 114 A A S S+ 0 0 29 -2,-0.3 21,-1.5 23,-0.2 2,-0.3 -0.144 83.3 39.8 -86.2 41.3 1.5 -3.3 6.2 93 115 A W E - H 0 112A 19 -2,-1.0 -5,-0.6 19,-0.3 2,-0.3 -0.931 63.6-142.8-168.5 163.1 3.4 -0.3 4.8 94 116 A S E -GH 87 111A 0 17,-1.8 17,-3.0 -2,-0.3 2,-0.5 -0.879 19.2-134.7-123.1 158.8 4.1 3.4 5.3 95 117 A V E -GH 86 110A 3 -9,-2.9 -9,-2.5 -2,-0.3 2,-0.4 -0.969 19.1-164.5-117.3 125.6 4.6 6.0 2.6 96 118 A W E -GH 85 109A 27 13,-3.2 13,-2.5 -2,-0.5 2,-0.4 -0.897 6.4-148.5-114.9 138.0 7.4 8.4 2.9 97 119 A L E -GH 84 108A 0 -13,-2.8 -13,-1.7 -2,-0.4 2,-0.4 -0.870 12.6-172.2-107.3 136.8 7.8 11.7 0.9 98 120 A F E - H 0 107A 40 9,-2.2 8,-2.4 -2,-0.4 9,-1.5 -0.968 3.3-162.5-123.9 143.1 11.2 13.2 -0.1 99 121 A W E - H 0 105A 6 -17,-0.5 6,-0.2 -2,-0.4 3,-0.1 -0.936 17.5-128.5-121.8 144.0 11.9 16.5 -1.7 100 122 A D E >> - H 0 104A 51 4,-2.8 4,-1.4 -2,-0.4 3,-0.6 -0.323 62.4 -55.7 -69.2 170.8 15.0 17.9 -3.4 101 123 A P T 34 S+ 0 0 120 0, 0.0 3,-0.3 0, 0.0 -1,-0.2 -0.097 127.2 29.5 -55.1 150.6 16.3 21.2 -2.2 102 124 A G T 34 S- 0 0 75 1,-0.2 3,-0.1 -3,-0.1 -2,-0.1 0.795 130.8 -73.2 68.5 27.3 13.9 24.1 -2.1 103 125 A W T <4 S+ 0 0 91 -3,-0.6 2,-0.9 1,-0.2 -1,-0.2 0.888 80.2 159.2 56.6 43.6 10.9 21.8 -1.6 104 126 A R E < -H 100 0A 169 -4,-1.4 -4,-2.8 -3,-0.3 -1,-0.2 -0.867 47.2-118.1 -96.2 106.4 10.9 20.4 -5.1 105 127 A F E +H 99 0A 33 -2,-0.9 -6,-0.3 -6,-0.2 3,-0.1 -0.184 38.4 174.7 -54.1 136.3 9.1 17.2 -4.7 106 128 A K E - 0 0 78 -8,-2.4 2,-0.3 1,-0.3 -7,-0.2 0.856 47.3 -42.4-106.5 -59.7 11.1 14.1 -5.6 107 129 A N E -H 98 0A 0 -9,-1.5 -9,-2.2 28,-0.1 2,-0.4 -0.995 37.1-114.7-166.5 163.0 9.3 10.9 -4.9 108 130 A W E -HI 97 134A 4 26,-2.3 26,-3.0 -2,-0.3 2,-0.5 -0.870 28.9-157.0 -98.1 147.0 7.1 8.8 -2.6 109 131 A Y E -HI 96 133A 43 -13,-2.5 -13,-3.2 -2,-0.4 2,-0.7 -0.989 6.2-149.5-127.5 123.3 8.6 5.6 -1.1 110 132 A V E -HI 95 132A 0 22,-3.1 22,-1.9 -2,-0.5 2,-0.8 -0.835 11.9-161.1 -92.4 115.7 6.5 2.8 -0.0 111 133 A N E -HI 94 131A 10 -17,-3.0 -17,-1.8 -2,-0.7 2,-0.3 -0.867 10.3-145.3 -99.0 103.6 8.2 1.0 2.9 112 134 A L E +H 93 0A 0 18,-1.4 16,-2.3 -2,-0.8 2,-0.3 -0.559 42.9 137.7 -67.4 133.7 6.8 -2.5 3.3 113 135 A E E - I 0 127A 1 -21,-1.5 14,-0.2 -2,-0.3 3,-0.1 -0.978 60.2 -66.9-169.3 160.7 6.8 -3.2 7.1 114 136 A R S S- 0 0 112 12,-2.4 12,-0.2 -2,-0.3 3,-0.1 -0.445 70.0 -91.7 -59.6 135.5 4.9 -4.7 9.9 115 137 A P - 0 0 41 0, 0.0 -23,-0.2 0, 0.0 -1,-0.1 -0.286 58.1 -91.4 -50.1 135.0 1.8 -2.5 10.6 116 138 A L - 0 0 36 -25,-0.4 2,-0.5 -28,-0.2 -26,-0.4 -0.164 33.5-146.3 -53.4 137.6 2.8 0.1 13.2 117 139 A T E -J 124 0A 59 7,-2.4 7,-2.0 -3,-0.1 2,-0.3 -0.956 15.8-139.5-102.7 119.6 2.2 -0.8 16.8 118 140 A R E +J 123 0A 99 -2,-0.5 2,-0.3 5,-0.2 5,-0.2 -0.580 30.0 163.7 -80.8 140.4 1.2 2.2 18.9 119 141 A W E > -J 122 0A 22 3,-2.6 3,-1.5 -2,-0.3 89,-0.0 -0.854 54.3 -81.6-143.5 177.6 2.7 2.6 22.4 120 142 A E T 3 S+ 0 0 138 1,-0.3 3,-0.1 -2,-0.3 -2,-0.0 0.813 126.6 38.0 -55.7 -32.7 3.0 5.4 24.9 121 143 A G T 3 S- 0 0 12 1,-0.1 -111,-2.1 -112,-0.1 2,-0.3 0.367 125.8 -72.4-101.2 -1.9 6.2 6.9 23.3 122 144 A G E < -bJ 10 119A 0 -3,-1.5 -3,-2.6 -113,-0.2 2,-0.4 -0.991 67.5 -37.3 150.4-140.7 5.3 6.4 19.6 123 145 A V E -bJ 11 118A 0 -113,-2.4 -111,-2.9 -2,-0.3 2,-0.4 -0.987 40.6-159.6-134.5 140.3 5.0 3.6 17.0 124 146 A D E +bJ 12 117A 3 -7,-2.0 -7,-2.4 -2,-0.4 2,-0.2 -0.943 16.2 160.4-122.9 144.5 7.1 0.5 16.4 125 147 A S E -b 13 0A 0 -113,-2.2 -111,-2.5 -2,-0.4 2,-0.4 -0.759 32.6-126.1-143.2-175.0 7.6 -1.7 13.3 126 148 A E - 0 0 52 -2,-0.2 -12,-2.4 -113,-0.2 2,-0.1 -0.983 35.3-116.8-138.1 133.0 9.9 -4.3 11.7 127 149 A D E -I 113 0A 44 -113,-0.5 -14,-0.2 -2,-0.4 -15,-0.0 -0.482 13.3-157.1 -80.7 144.9 11.2 -3.7 8.2 128 150 A H E - 0 0 41 -16,-2.3 2,-2.4 2,-0.2 -15,-0.2 0.153 32.3-129.7-110.3 17.8 10.2 -6.1 5.4 129 151 A F E S+ 0 0 10 -17,-0.2 2,-0.2 1,-0.1 19,-0.2 -0.248 75.6 97.4 77.2 -50.0 13.1 -5.3 3.2 130 152 A L E - 0 0 0 -2,-2.4 -18,-1.4 17,-0.1 2,-0.3 -0.484 50.7-178.6 -77.6 136.6 11.3 -4.6 -0.1 131 153 A D E -IK 111 143A 24 12,-2.5 12,-2.7 -2,-0.2 2,-0.4 -0.849 17.3-143.9-127.2 166.2 10.5 -1.0 -1.0 132 154 A I E -IK 110 142A 0 -22,-1.9 -22,-3.1 -2,-0.3 2,-0.5 -0.998 8.5-151.3-130.0 135.6 8.7 0.7 -3.9 133 155 A S E -IK 109 141A 0 8,-3.2 8,-1.9 -2,-0.4 2,-0.4 -0.917 11.3-166.7-105.3 133.8 9.6 4.0 -5.4 134 156 A V E -IK 108 140A 0 -26,-3.0 -26,-2.3 -2,-0.5 6,-0.2 -0.974 6.6-151.1-124.7 133.5 6.9 6.2 -7.0 135 157 A H > - 0 0 50 4,-2.7 3,-2.5 -2,-0.4 -28,-0.1 -0.613 29.9-109.6-104.3 156.7 7.6 9.2 -9.2 136 158 A P T 3 S+ 0 0 74 0, 0.0 -1,-0.1 0, 0.0 -29,-0.1 0.780 119.3 62.5 -56.9 -26.0 5.5 12.4 -9.7 137 159 A D T 3 S- 0 0 113 1,-0.1 3,-0.1 2,-0.1 -3,-0.0 0.431 120.6-110.9 -78.7 4.7 4.7 11.1 -13.2 138 160 A R S < S+ 0 0 145 -3,-2.5 2,-0.1 1,-0.3 41,-0.1 0.460 75.5 132.1 79.1 5.2 3.0 8.1 -11.6 139 161 A T - 0 0 76 -5,-0.0 -4,-2.7 2,-0.0 -1,-0.3 -0.465 35.3-169.7 -79.2 160.9 5.5 5.5 -12.7 140 162 A W E -K 134 0A 71 -6,-0.2 2,-0.3 -2,-0.1 -6,-0.2 -0.975 14.9-179.5-147.1 159.4 6.9 3.1 -10.1 141 163 A H E -K 133 0A 62 -8,-1.9 -8,-3.2 -2,-0.3 2,-0.1 -0.981 33.0-100.1-156.0 160.2 9.6 0.5 -9.5 142 164 A W E -K 132 0A 66 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.3 -0.401 32.1-159.8 -73.4 157.5 10.8 -1.9 -6.8 143 165 A R E +K 131 0A 115 -12,-2.7 -12,-2.5 -2,-0.1 -2,-0.0 -0.986 67.2 13.6-135.1 149.8 13.8 -1.0 -4.6 144 166 A D > + 0 0 59 -2,-0.3 4,-2.4 -14,-0.2 5,-0.1 0.735 67.8 144.7 61.0 29.1 16.0 -3.3 -2.5 145 167 A E H > S+ 0 0 78 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.870 72.7 58.0 -61.8 -33.6 14.7 -6.5 -4.1 146 168 A D H > S+ 0 0 86 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.895 107.0 46.1 -60.2 -44.2 18.3 -7.8 -3.7 147 169 A E H > S+ 0 0 31 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.910 111.1 52.8 -65.9 -43.6 18.1 -7.2 0.1 148 170 A F H X S+ 0 0 13 -4,-2.4 4,-1.8 -19,-0.2 -2,-0.2 0.948 111.0 46.6 -53.9 -52.4 14.7 -8.9 0.2 149 171 A A H X S+ 0 0 34 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.906 113.7 48.0 -56.1 -48.4 16.0 -12.0 -1.6 150 172 A Q H X S+ 0 0 17 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.894 107.9 54.7 -62.7 -43.7 19.1 -12.2 0.7 151 173 A A H <>S+ 0 0 0 -4,-2.8 5,-2.5 2,-0.2 6,-0.7 0.873 109.8 48.4 -58.5 -37.5 17.0 -11.7 3.8 152 174 A L H ><5S+ 0 0 66 -4,-1.8 3,-1.9 -5,-0.2 -2,-0.2 0.952 110.6 49.5 -67.1 -48.4 15.0 -14.7 2.7 153 175 A R H 3<5S+ 0 0 161 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.851 110.6 51.2 -58.8 -36.4 18.1 -16.8 2.0 154 176 A D T 3<5S- 0 0 54 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.402 117.4-115.1 -82.7 2.2 19.4 -15.9 5.4 155 177 A G T < 5S+ 0 0 56 -3,-1.9 -3,-0.2 2,-0.2 -2,-0.1 0.637 76.2 132.5 74.8 16.2 16.1 -17.0 7.0 156 178 A L S - 0 0 90 -2,-0.3 4,-2.8 -3,-0.1 5,-0.3 -0.576 39.4 -98.1 -90.9 166.0 10.2 -17.9 6.1 159 181 A P H > S+ 0 0 108 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.840 123.5 54.0 -55.3 -35.4 8.4 -18.5 2.8 160 182 A A H > S+ 0 0 56 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.953 112.0 41.9 -60.7 -53.8 5.0 -17.8 4.4 161 183 A S H > S+ 0 0 22 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.890 114.0 53.2 -62.1 -40.0 6.0 -14.4 5.8 162 184 A A H X S+ 0 0 6 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.908 106.9 52.7 -59.2 -44.2 7.8 -13.6 2.5 163 185 A G H X S+ 0 0 25 -4,-2.5 4,-2.3 -5,-0.3 -2,-0.2 0.915 107.7 51.7 -55.3 -43.7 4.6 -14.5 0.6 164 186 A R H X S+ 0 0 139 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.891 108.2 51.3 -65.2 -40.0 2.7 -12.0 2.9 165 187 A V H X S+ 0 0 6 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.932 110.8 47.3 -62.0 -46.1 5.3 -9.3 2.1 166 188 A R H X S+ 0 0 56 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.899 109.8 54.0 -64.7 -35.6 4.9 -9.8 -1.7 167 189 A R H X S+ 0 0 140 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.899 109.4 48.1 -59.5 -46.5 1.1 -9.8 -1.3 168 190 A A H X S+ 0 0 14 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.896 109.0 54.4 -57.9 -45.5 1.4 -6.4 0.5 169 191 A G H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.920 108.1 48.7 -54.5 -46.3 3.6 -5.2 -2.4 170 192 A R H X S+ 0 0 160 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.883 110.5 51.3 -63.6 -37.3 1.0 -6.2 -4.9 171 193 A S H X S+ 0 0 60 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.918 110.9 47.5 -66.2 -40.4 -1.7 -4.4 -2.9 172 194 A A H X S+ 0 0 1 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.925 110.4 52.6 -66.0 -42.2 0.4 -1.2 -2.8 173 195 A V H X S+ 0 0 5 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.906 105.8 54.3 -60.1 -39.9 1.1 -1.5 -6.5 174 196 A A H X S+ 0 0 48 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.917 108.7 49.5 -59.2 -40.2 -2.7 -1.7 -7.1 175 197 A E H X>S+ 0 0 65 -4,-1.8 5,-2.4 2,-0.2 4,-0.6 0.892 110.4 49.7 -62.3 -41.9 -3.0 1.6 -5.1 176 198 A I H ><5S+ 0 0 3 -4,-2.3 3,-1.0 1,-0.2 -2,-0.2 0.933 111.7 47.9 -62.1 -45.7 -0.3 3.2 -7.2 177 199 A R H 3<5S+ 0 0 186 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.846 113.8 47.1 -65.9 -33.2 -2.0 2.2 -10.4 178 200 A A H 3<5S- 0 0 74 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.535 107.3-130.6 -81.2 -6.3 -5.4 3.4 -9.1 179 201 A W T <<5 + 0 0 37 -3,-1.0 -3,-0.2 -4,-0.6 -2,-0.1 0.938 54.8 154.0 45.5 55.5 -3.7 6.6 -8.0 180 202 A G >< - 0 0 19 -5,-2.4 4,-2.3 1,-0.2 3,-0.4 0.085 33.9 -5.6 -88.4-162.6 -5.3 6.3 -4.6 181 203 A S T 4 S+ 0 0 46 1,-0.3 -1,-0.2 2,-0.2 -2,-0.0 -0.544 121.8 9.8 -73.4 145.8 -4.3 7.6 -1.2 182 204 A P T >4>S+ 0 0 11 0, 0.0 3,-1.5 0, 0.0 5,-0.6 -0.979 123.5 58.9 -91.7 3.0 -1.9 9.0 -0.3 183 205 A F G >45S+ 0 0 2 -3,-0.4 3,-0.7 1,-0.3 -2,-0.2 0.916 111.3 42.6 -57.7 -42.8 -0.5 9.6 -3.8 184 206 A A G 3<5S+ 0 0 50 -4,-2.3 -1,-0.3 1,-0.2 -3,-0.2 0.461 96.6 84.7 -81.0 -2.7 -3.5 11.5 -5.0 185 207 A D G < 5S- 0 0 83 -3,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.328 95.0-117.8 -96.6 9.7 -3.8 13.5 -1.7 186 208 A G T X 5 + 0 0 24 -3,-0.7 3,-1.9 -4,-0.1 4,-0.2 0.693 62.7 142.4 70.6 16.9 -1.4 16.4 -2.3 187 209 A W G > < + 0 0 19 -5,-0.6 3,-1.7 1,-0.3 -1,-0.1 0.774 64.3 74.7 -63.6 -21.3 1.1 15.7 0.5 188 210 A E G 3 S+ 0 0 41 1,-0.3 -1,-0.3 -5,-0.2 -83,-0.1 0.749 93.9 52.7 -61.5 -22.5 3.7 16.8 -1.9 189 211 A H G < S+ 0 0 135 -3,-1.9 -1,-0.3 2,-0.0 -2,-0.2 0.481 86.2 114.8 -87.6 -7.7 2.4 20.4 -1.2 190 212 A W < - 0 0 40 -3,-1.7 -106,-0.0 -4,-0.2 -3,-0.0 -0.331 43.3-174.4 -64.3 141.8 2.8 20.0 2.6 191 213 A R - 0 0 111 -2,-0.1 2,-0.0 0, 0.0 -2,-0.0 -0.996 22.5-115.6-137.3 147.5 5.3 22.1 4.6 192 214 A P - 0 0 29 0, 0.0 -162,-0.0 0, 0.0 0, 0.0 -0.296 38.7 -95.5 -73.3 157.1 6.3 22.1 8.2 193 215 A D > - 0 0 79 1,-0.2 3,-1.6 -2,-0.0 0, 0.0 -0.633 29.2-142.0 -69.4 123.7 5.7 24.9 10.6 194 216 A P T 3 S+ 0 0 134 0, 0.0 -1,-0.2 0, 0.0 0, 0.0 0.702 100.2 62.6 -64.8 -13.8 9.0 26.9 10.5 195 217 A A T 3 S+ 0 0 79 2,-0.1 -2,-0.0 0, 0.0 0, 0.0 0.709 76.7 110.7 -79.7 -23.9 8.5 27.4 14.3 196 218 A W < - 0 0 65 -3,-1.6 2,-0.1 1,-0.1 -168,-0.0 -0.294 63.9-137.3 -58.1 127.9 8.7 23.7 15.1 197 219 A P - 0 0 82 0, 0.0 -155,-0.1 0, 0.0 -1,-0.1 -0.371 25.8 -97.9 -78.9 166.3 11.9 22.8 17.0 198 220 A V - 0 0 77 -2,-0.1 -171,-0.1 -157,-0.0 -157,-0.1 -0.766 46.3-122.0 -78.7 122.2 14.0 19.7 16.2 199 221 A P - 0 0 3 0, 0.0 -153,-0.5 0, 0.0 2,-0.2 -0.363 22.8-123.0 -68.0 148.0 12.9 17.0 18.7 200 222 A S - 0 0 103 -155,-0.1 -173,-0.1 -173,-0.1 -155,-0.1 -0.520 20.8-109.7 -85.0 155.3 15.6 15.5 21.0 201 223 A L - 0 0 11 -2,-0.2 -154,-0.1 -175,-0.1 -1,-0.0 -0.795 40.9-127.7 -81.7 115.7 16.4 11.8 21.3 202 224 A P > - 0 0 45 0, 0.0 3,-1.4 0, 0.0 4,-0.1 -0.345 10.4-124.4 -65.6 148.2 15.1 10.8 24.7 203 225 A G T 3 S+ 0 0 70 1,-0.3 3,-0.2 2,-0.1 -2,-0.0 0.765 112.7 50.8 -65.9 -23.7 17.6 9.1 27.0 204 226 A D T > + 0 0 84 1,-0.2 3,-1.6 2,-0.1 -1,-0.3 -0.158 68.9 131.4-104.2 37.0 15.1 6.1 27.3 205 227 A W T < + 0 0 30 -3,-1.4 -1,-0.2 1,-0.3 -2,-0.1 0.613 68.1 59.5 -60.5 -17.8 14.6 5.7 23.5 206 228 A D T 3 S+ 0 0 96 -3,-0.2 -185,-0.3 -4,-0.1 -1,-0.3 0.460 72.3 125.0 -94.2 -4.3 15.2 2.0 23.9 207 229 A R < - 0 0 64 -3,-1.6 3,-0.1 1,-0.1 -3,-0.0 -0.261 58.6-126.3 -64.3 144.3 12.4 1.1 26.3 208 230 A T - 0 0 100 1,-0.1 2,-0.1 2,-0.0 -1,-0.1 -0.514 31.9 -91.1 -88.5 153.5 10.1 -1.6 25.1 209 231 A P 0 0 45 0, 0.0 -1,-0.1 0, 0.0 -90,-0.0 -0.474 360.0 360.0 -60.3 138.5 6.3 -1.2 25.0 210 232 A A 0 0 157 -2,-0.1 -2,-0.0 -3,-0.1 -91,-0.0 0.775 360.0 360.0 -65.9 360.0 4.7 -2.4 28.2