==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 29-JUN-09 3I2G . COMPND 2 MOLECULE: COCAINE ESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOCOCCUS SP. MB1 'BRESLER 1999'; . AUTHOR J.J.G.TESMER,M.R.NANCE . 574 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20836.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 391 68.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 45 7.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 98 17.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.5 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 . 56 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 64 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 94 16.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 3 2 2 0 0 0 1 1 1 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 2 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 0 PARALLEL BRIDGES PER LADDER . 2 2 2 3 1 0 3 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 1 1 0 0 0 0 0 0 0 0 1 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 V > 0 0 126 0, 0.0 3,-2.1 0, 0.0 28,-0.4 0.000 360.0 360.0 360.0 128.9 -12.2 42.3 -21.5 2 3 A D T 3 + 0 0 148 1,-0.3 62,-0.1 26,-0.1 3,-0.1 -0.149 360.0 22.8 -46.5 136.9 -8.5 42.1 -20.7 3 4 A G T 3 S+ 0 0 27 60,-0.9 -1,-0.3 1,-0.3 2,-0.2 0.083 103.4 112.0 90.3 -23.3 -6.6 45.3 -21.2 4 5 A N < + 0 0 84 -3,-2.1 25,-2.5 25,-0.2 2,-0.3 -0.524 38.3 163.6 -93.2 152.3 -9.8 47.4 -20.7 5 6 A Y E -A 28 0A 82 23,-0.3 2,-0.3 -2,-0.2 21,-0.0 -0.971 26.0-134.6-155.4 169.0 -10.9 49.7 -18.0 6 7 A S E -A 27 0A 58 21,-2.3 21,-2.4 -2,-0.3 2,-0.4 -0.920 13.1-146.5-127.2 156.4 -13.2 52.4 -16.7 7 8 A V E -A 26 0A 66 -2,-0.3 2,-0.5 19,-0.2 19,-0.2 -0.993 8.0-166.7-125.5 125.0 -12.5 55.6 -14.8 8 9 A A E -A 25 0A 26 17,-1.8 17,-2.6 -2,-0.4 3,-0.4 -0.969 16.3-147.2-113.4 128.6 -15.0 57.1 -12.3 9 10 A S E + 0 0 69 -2,-0.5 15,-0.2 15,-0.2 -2,-0.0 -0.735 64.5 6.2-104.0 141.2 -14.3 60.7 -11.2 10 11 A N E + 0 0 69 -2,-0.3 2,-0.6 13,-0.3 -1,-0.2 0.844 65.8 174.6 61.9 39.1 -14.9 62.4 -7.8 11 12 A V E -A 23 0A 42 12,-2.3 12,-1.9 -3,-0.4 2,-0.5 -0.699 30.2-133.2 -72.7 119.1 -16.0 59.4 -5.8 12 13 A M E -A 22 0A 49 -2,-0.6 10,-0.2 10,-0.2 67,-0.0 -0.687 20.4-164.7 -89.4 122.6 -16.3 60.9 -2.3 13 14 A V E -A 21 0A 0 8,-3.3 8,-2.8 -2,-0.5 2,-0.3 -0.920 13.7-136.5-112.5 119.8 -14.7 58.9 0.5 14 15 A P E -A 20 0A 69 0, 0.0 6,-0.2 0, 0.0 2,-0.2 -0.564 13.6-151.7 -83.6 135.9 -15.6 59.8 4.1 15 16 A M > - 0 0 10 4,-2.6 3,-2.2 -2,-0.3 77,-0.1 -0.450 39.4 -89.1 -91.2 170.5 -12.9 60.0 6.8 16 17 A R T 3 S+ 0 0 150 1,-0.3 -1,-0.0 75,-0.2 76,-0.0 0.776 127.4 52.5 -51.3 -31.5 -13.5 59.3 10.6 17 18 A D T 3 S- 0 0 89 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.262 120.2-105.5 -92.6 9.7 -14.4 62.9 11.2 18 19 A G S < S+ 0 0 51 -3,-2.2 2,-0.2 1,-0.3 -2,-0.1 0.249 78.6 132.7 83.0 -12.7 -17.1 63.0 8.5 19 20 A V - 0 0 29 -5,-0.1 -4,-2.6 61,-0.1 2,-0.5 -0.510 50.3-135.8 -70.6 139.9 -14.9 65.1 6.0 20 21 A R E -A 14 0A 106 -6,-0.2 60,-3.0 -2,-0.2 2,-0.4 -0.868 13.3-160.1-111.4 128.0 -14.9 63.7 2.5 21 22 A L E -A 13 0A 0 -8,-2.8 -8,-3.3 -2,-0.5 2,-0.3 -0.842 20.7-126.8-102.2 139.8 -11.9 63.2 0.2 22 23 A A E -A 12 0A 0 -2,-0.4 50,-2.3 -10,-0.2 2,-0.3 -0.662 28.6-177.9 -87.5 139.3 -12.4 62.8 -3.5 23 24 A V E -AB 11 71A 0 -12,-1.9 -12,-2.3 -2,-0.3 2,-0.4 -0.931 22.4-139.1-128.9 158.4 -10.9 59.9 -5.4 24 25 A D E - B 0 70A 3 46,-2.4 46,-2.0 -2,-0.3 2,-0.6 -0.964 20.4-148.0-111.0 136.5 -10.7 58.7 -9.0 25 26 A L E -AB 8 69A 5 -17,-2.6 -17,-1.8 -2,-0.4 2,-0.8 -0.911 12.4-171.6-108.4 117.1 -11.1 55.0 -9.6 26 27 A Y E +AB 7 68A 25 42,-3.1 42,-2.5 -2,-0.6 -19,-0.2 -0.912 22.8 177.8-103.3 104.5 -9.3 53.3 -12.5 27 28 A R E -A 6 0A 74 -21,-2.4 -21,-2.3 -2,-0.8 40,-0.2 -0.918 25.2-129.1-117.1 128.9 -10.8 49.9 -12.4 28 29 A P E -A 5 0A 18 0, 0.0 2,-0.9 0, 0.0 -23,-0.3 -0.414 35.1-100.5 -70.2 151.5 -10.1 47.0 -14.8 29 30 A D + 0 0 82 -25,-2.5 2,-0.4 -28,-0.4 -25,-0.2 -0.647 66.3 168.4 -63.3 103.6 -13.0 45.2 -16.6 30 31 A A - 0 0 48 -2,-0.9 4,-0.1 1,-0.2 35,-0.0 -0.981 51.7-141.5-139.1 139.4 -13.0 42.2 -14.2 31 32 A D S S- 0 0 174 -2,-0.4 -1,-0.2 2,-0.1 -2,-0.0 0.986 91.2 -0.6 -41.7 -71.8 -15.0 39.2 -13.3 32 33 A G S S- 0 0 35 1,-0.2 75,-0.1 73,-0.0 73,-0.0 -0.207 103.4 -45.7-113.0-160.5 -14.3 39.5 -9.6 33 34 A P - 0 0 73 0, 0.0 73,-0.2 0, 0.0 -1,-0.2 -0.301 53.8-156.3 -75.5 159.1 -12.3 41.8 -7.2 34 35 A V E -c 106 0A 14 71,-3.1 73,-2.4 -4,-0.1 74,-0.3 -0.824 26.2 -87.2-131.2 163.4 -8.7 42.9 -8.0 35 36 A P E - 0 0 1 0, 0.0 32,-2.5 0, 0.0 2,-0.4 -0.481 49.5-143.2 -67.4 148.1 -5.6 44.1 -6.2 36 37 A V E -cd 110 67A 0 73,-2.7 75,-2.7 30,-0.2 2,-0.4 -0.913 14.0-156.1-125.9 142.3 -5.6 47.9 -5.7 37 38 A L E -cd 111 68A 0 30,-2.9 32,-3.3 -2,-0.4 2,-0.4 -0.980 13.6-157.4-119.0 129.9 -2.9 50.6 -5.8 38 39 A L E -cd 112 69A 0 73,-2.8 75,-0.9 -2,-0.4 2,-0.4 -0.886 8.8-173.6-110.5 135.9 -3.5 53.9 -3.9 39 40 A V E - d 0 70A 1 30,-2.7 32,-2.7 -2,-0.4 2,-0.6 -0.995 10.1-156.8-128.8 122.8 -1.8 57.3 -4.7 40 41 A R E - d 0 71A 0 -2,-0.4 81,-0.2 78,-0.3 32,-0.2 -0.904 21.9-179.6-107.9 114.3 -2.4 60.3 -2.3 41 42 A N E - d 0 72A 0 30,-2.8 32,-1.6 -2,-0.6 3,-0.4 -0.918 32.7-171.9-127.6 125.7 -1.7 63.6 -4.2 42 43 A P S S+ 0 0 0 0, 0.0 35,-0.1 0, 0.0 30,-0.1 0.348 83.8 70.4 -93.7 8.5 -1.9 67.3 -3.2 43 44 A Y S S- 0 0 40 33,-0.1 4,-0.2 1,-0.1 7,-0.1 -0.078 121.1 -71.9-117.0 29.9 -1.4 68.5 -6.8 44 45 A D > - 0 0 30 -3,-0.4 3,-1.5 2,-0.1 28,-0.1 0.867 31.6-131.7 80.8 106.6 -4.8 67.5 -8.2 45 46 A K T 3 S+ 0 0 0 -4,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.747 108.1 61.0 -54.0 -28.0 -5.7 63.8 -8.8 46 47 A F T 3 S+ 0 0 105 1,-0.2 2,-2.0 2,-0.1 -1,-0.3 0.840 88.0 75.2 -66.3 -35.6 -7.0 64.9 -12.3 47 48 A D <> + 0 0 76 -3,-1.5 4,-0.6 1,-0.2 3,-0.4 -0.480 54.5 153.1 -84.2 73.4 -3.5 66.2 -13.3 48 49 A V H > + 0 0 22 -2,-2.0 4,-1.7 1,-0.2 3,-0.3 0.790 64.1 62.1 -75.5 -28.1 -1.9 62.8 -13.8 49 50 A F H > S+ 0 0 171 -3,-0.3 4,-0.8 1,-0.2 -1,-0.2 0.794 91.2 67.9 -69.1 -29.2 0.7 64.0 -16.4 50 51 A A H 4 S+ 0 0 52 -3,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.900 118.1 15.1 -59.3 -46.1 2.4 66.4 -13.8 51 52 A W H >< S+ 0 0 8 -4,-0.6 3,-2.3 -3,-0.3 -1,-0.2 0.753 108.3 77.4 -99.6 -29.3 3.8 63.7 -11.6 52 53 A S H >X S+ 0 0 16 -4,-1.7 3,-2.1 1,-0.3 4,-0.6 0.785 84.5 64.3 -65.4 -30.7 3.6 60.4 -13.5 53 54 A T T 3< S+ 0 0 93 -4,-0.8 -1,-0.3 1,-0.3 253,-0.1 0.667 103.2 51.0 -63.1 -16.4 6.6 61.1 -15.7 54 55 A Q T <4 S+ 0 0 53 -3,-2.3 -1,-0.3 2,-0.1 -2,-0.2 0.341 123.3 28.7 -94.5 4.0 8.8 61.1 -12.5 55 56 A S T <4 S- 0 0 2 -3,-2.1 2,-0.3 1,-0.2 -2,-0.1 0.625 107.6 -42.6-127.9 -90.6 7.2 57.7 -11.6 56 57 A T < - 0 0 1 -4,-0.6 2,-1.6 253,-0.1 -1,-0.2 -0.974 43.2-107.3-155.2 153.9 5.8 54.9 -13.7 57 58 A N > + 0 0 70 249,-0.6 3,-1.9 -2,-0.3 4,-0.2 -0.573 51.5 172.3 -79.8 71.3 3.7 54.2 -16.7 58 59 A W T >> + 0 0 8 -2,-1.6 4,-1.3 1,-0.3 3,-0.9 0.524 58.5 79.8 -74.3 -8.4 1.0 53.0 -14.3 59 60 A L H 3> S+ 0 0 54 1,-0.3 4,-2.8 2,-0.2 -1,-0.3 0.764 87.2 65.8 -63.0 -22.9 -1.9 52.6 -16.8 60 61 A E H <> S+ 0 0 47 -3,-1.9 4,-1.4 2,-0.2 -1,-0.3 0.830 95.6 54.4 -63.3 -34.7 0.0 49.4 -17.5 61 62 A F H <4>S+ 0 0 0 -3,-0.9 5,-2.7 -4,-0.2 -2,-0.2 0.935 110.6 45.8 -64.4 -43.2 -0.9 48.3 -14.0 62 63 A V H ><5S+ 0 0 0 -4,-1.3 3,-1.6 1,-0.2 -2,-0.2 0.908 111.5 50.3 -66.8 -43.8 -4.6 48.9 -14.8 63 64 A R H 3<5S+ 0 0 114 -4,-2.8 -60,-0.9 1,-0.3 -1,-0.2 0.762 109.3 54.0 -62.2 -26.4 -4.3 47.1 -18.2 64 65 A D T 3<5S- 0 0 60 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.304 132.9 -88.9 -92.8 4.3 -2.7 44.2 -16.3 65 66 A G T < 5S+ 0 0 17 -3,-1.6 2,-0.4 1,-0.3 -3,-0.2 0.611 83.5 127.2 100.3 15.3 -5.6 44.0 -13.9 66 67 A Y < - 0 0 0 -5,-2.7 2,-0.4 -6,-0.1 -1,-0.3 -0.798 52.2-133.6 -92.1 144.4 -4.9 46.3 -11.0 67 68 A A E - 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0 0 62 -3,-1.5 3,-0.3 1,-0.1 -3,-0.1 -0.175 36.4-161.5 -62.3 131.7 -10.7 78.3 -5.7 178 179 A S S S+ 0 0 109 1,-0.3 2,-0.4 0, 0.0 -1,-0.1 0.970 96.5 7.3 -61.3 -56.2 -14.0 77.3 -4.1 179 180 A D S S- 0 0 131 -3,-0.0 -1,-0.3 0, 0.0 -3,-0.0 -0.962 91.9-119.6-132.7 117.9 -14.9 81.0 -4.6 180 181 A A - 0 0 86 -2,-0.4 -5,-0.0 -3,-0.3 -6,-0.0 -0.065 28.8-150.9 -56.6 148.8 -12.7 83.4 -6.5 181 182 A R > - 0 0 126 1,-0.1 3,-1.2 -7,-0.1 4,-0.4 -0.890 23.6-122.6-128.4 151.0 -11.3 86.5 -4.8 182 183 A P T 3 S+ 0 0 128 0, 0.0 3,-0.4 0, 0.0 4,-0.4 0.825 112.8 52.1 -57.6 -35.0 -10.2 90.1 -5.8 183 184 A E T 3> S+ 0 0 69 1,-0.2 4,-2.7 2,-0.1 5,-0.2 0.519 85.5 89.3 -82.3 -6.8 -6.7 89.6 -4.4 184 185 A D H <> S+ 0 0 18 -3,-1.2 4,-2.4 1,-0.2 -1,-0.2 0.907 84.4 51.2 -56.1 -49.4 -6.1 86.3 -6.4 185 186 A A H > S+ 0 0 77 -4,-0.4 4,-1.5 -3,-0.4 -1,-0.2 0.920 116.6 39.8 -57.5 -46.1 -4.7 88.0 -9.5 186 187 A A H > S+ 0 0 56 -4,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.862 113.2 54.0 -73.4 -38.5 -2.1 90.0 -7.5 187 188 A D H X S+ 0 0 4 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.886 105.6 55.6 -61.0 -38.8 -1.3 87.1 -5.1 188 189 A F H X S+ 0 0 89 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.923 106.6 50.1 -59.9 -46.6 -0.6 85.0 -8.2 189 190 A V H X S+ 0 0 101 -4,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.895 110.3 49.0 -55.7 -45.5 1.9 87.6 -9.4 190 191 A Q H X S+ 0 0 89 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.865 110.2 52.1 -67.6 -37.5 3.7 87.7 -6.0 191 192 A L H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.913 108.4 50.0 -63.4 -44.1 3.9 83.9 -5.9 192 193 A A H X S+ 0 0 39 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.891 107.9 55.0 -60.7 -38.8 5.5 83.8 -9.4 193 194 A A H < S+ 0 0 57 -4,-1.9 4,-0.5 2,-0.2 -1,-0.2 0.862 107.2 48.8 -66.0 -38.1 8.0 86.4 -8.3 194 195 A I H >< S+ 0 0 21 -4,-1.7 3,-1.1 1,-0.2 7,-0.3 0.949 112.3 49.3 -62.1 -48.1 9.1 84.2 -5.3 195 196 A L H 3< S+ 0 0 57 -4,-2.3 3,-0.4 1,-0.3 -2,-0.2 0.726 109.8 50.7 -66.3 -24.3 9.4 81.2 -7.7 196 197 A N T 3< S+ 0 0 149 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.535 128.0 23.1 -84.6 -9.4 11.5 83.2 -10.2 197 198 A D <> + 0 0 88 -3,-1.1 4,-2.2 -4,-0.5 -1,-0.2 -0.363 64.9 158.1-158.0 65.7 13.8 84.3 -7.5 198 199 A V H > S+ 0 0 3 -3,-0.4 4,-2.6 1,-0.2 5,-0.2 0.880 81.5 56.1 -62.9 -39.8 13.8 82.0 -4.5 199 200 A A H > S+ 0 0 19 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.901 108.0 50.3 -57.4 -41.3 17.2 83.2 -3.3 200 201 A G H >> S+ 0 0 24 2,-0.2 3,-0.9 1,-0.2 4,-0.5 0.924 111.0 46.8 -59.5 -50.0 15.7 86.8 -3.3 201 202 A A H >< S+ 0 0 16 -4,-2.2 3,-0.8 -7,-0.3 -2,-0.2 0.872 111.0 52.9 -61.4 -38.8 12.7 85.7 -1.3 202 203 A A H 3< S+ 0 0 3 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.626 99.8 66.6 -69.0 -15.7 15.0 83.8 1.2 203 204 A S H << S+ 0 0 47 -3,-0.9 -1,-0.2 -4,-0.6 -2,-0.2 0.639 71.6 105.7 -86.1 -18.8 17.1 87.0 1.6 204 205 A V S << S- 0 0 74 -3,-0.8 5,-0.1 -4,-0.5 -3,-0.0 -0.431 70.6-117.9 -64.5 131.2 14.5 89.2 3.4 205 206 A T S S+ 0 0 31 -2,-0.1 340,-0.2 1,-0.1 2,-0.1 -0.943 95.6 44.6-115.3 143.3 15.2 89.6 7.1 206 207 A P S > S- 0 0 18 0, 0.0 3,-1.7 0, 0.0 337,-0.2 0.585 78.9-155.4 -72.6 145.9 13.7 88.8 9.5 207 208 A L T 3 S+ 0 0 12 337,-0.4 336,-0.2 334,-0.4 335,-0.1 0.823 88.1 65.5 -59.7 -34.3 13.1 85.4 7.8 208 209 A A T 3 S+ 0 0 7 334,-2.8 2,-1.0 17,-0.1 -1,-0.3 0.530 78.8 93.8 -69.1 -8.9 9.9 84.8 9.8 209 210 A E < + 0 0 124 -3,-1.7 -1,-0.1 333,-0.3 -5,-0.0 -0.781 42.4 149.0 -90.1 103.6 8.2 87.8 8.1 210 211 A Q > + 0 0 19 -2,-1.0 4,-2.4 1,-0.1 5,-0.3 -0.779 15.5 175.4-134.4 84.8 6.4 86.2 5.2 211 212 A P H > S+ 0 0 110 0, 0.0 4,-1.2 0, 0.0 -1,-0.1 0.937 81.4 34.5 -65.9 -47.2 3.3 88.4 4.7 212 213 A L H > S+ 0 0 10 2,-0.2 4,-2.2 3,-0.1 5,-0.2 0.972 125.0 39.5 -68.2 -57.4 2.0 86.6 1.5 213 214 A L H > S+ 0 0 1 1,-0.2 4,-3.1 2,-0.2 7,-0.3 0.883 114.6 53.6 -65.1 -39.6 3.1 83.0 2.4 214 215 A G H < S+ 0 0 19 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.856 111.7 46.6 -60.8 -36.7 2.1 83.3 6.1 215 216 A R H < S+ 0 0 125 -4,-1.2 -2,-0.2 -5,-0.3 -1,-0.2 0.907 119.5 37.8 -72.2 -45.5 -1.4 84.4 5.1 216 217 A L H < S+ 0 0 24 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.2 0.882 137.9 15.7 -72.4 -40.0 -1.9 81.7 2.4 217 218 A I >< - 0 0 7 -4,-3.1 3,-2.5 -5,-0.2 4,-0.3 -0.640 65.2-178.2-140.1 77.6 -0.2 78.9 4.3 218 219 A P T >> S+ 0 0 63 0, 0.0 4,-2.8 0, 0.0 3,-1.6 0.747 78.0 75.2 -45.8 -34.5 0.3 79.9 8.1 219 220 A W H 3>>S+ 0 0 17 1,-0.3 4,-2.1 2,-0.2 5,-1.9 0.774 78.9 73.8 -48.0 -33.5 2.1 76.5 8.6 220 221 A V H <4>S+ 0 0 0 -3,-2.5 5,-2.2 -7,-0.3 -1,-0.3 0.843 117.6 16.4 -53.3 -39.1 5.1 78.0 6.8 221 222 A I H <4>S+ 0 0 17 -3,-1.6 5,-2.5 -4,-0.3 -2,-0.2 0.840 126.3 55.5 -96.3 -51.6 5.8 80.1 10.0 222 223 A D H <5S+ 0 0 102 -4,-2.8 -3,-0.2 3,-0.1 -2,-0.2 0.837 127.9 13.9 -56.7 -43.1 3.7 78.3 12.6 223 224 A Q T <5S+ 0 0 30 -4,-2.1 4,-0.5 -5,-0.2 -3,-0.2 0.873 134.6 30.6 -94.0 -59.1 5.3 74.9 12.1 224 225 A V T > > - 0 0 26 -2,-2.6 4,-2.6 -4,-0.1 3,-1.3 -0.126 60.5 -71.6-101.3-168.9 11.1 69.1 18.8 232 233 A E H 3> S+ 0 0 141 1,-0.3 4,-2.7 2,-0.2 5,-0.1 0.827 126.2 61.0 -57.3 -34.7 7.8 67.4 19.7 233 234 A S H 34 S+ 0 0 30 1,-0.2 4,-0.5 2,-0.2 -1,-0.3 0.830 113.0 38.2 -63.4 -32.1 6.0 69.2 16.8 234 235 A W H X> S+ 0 0 1 -3,-1.3 4,-1.3 -5,-0.2 3,-0.8 0.881 114.0 52.3 -81.9 -43.3 8.4 67.4 14.4 235 236 A Q H 3< S+ 0 0 96 -4,-2.6 -2,-0.2 1,-0.3 3,-0.2 0.857 100.2 66.3 -64.4 -31.2 8.5 64.1 16.2 236 237 A S T 3< S+ 0 0 89 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.870 111.8 32.4 -52.9 -41.7 4.7 64.1 16.2 237 238 A I T <4 S+ 0 0 11 -3,-0.8 -1,-0.2 -4,-0.5 -2,-0.2 0.572 95.7 108.4 -97.3 -10.2 4.8 63.8 12.3 238 239 A S < - 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