==== 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 18-JUL-09 3ICW . COMPND 2 MOLECULE: LIPASE B; . SOURCE 2 ORGANISM_SCIENTIFIC: CANDIDA ANTARCTICA; . AUTHOR J.R.HORTON,Z.QIAN,D.JIA,S.A.LUTZ,X.CHENG . 291 2 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12827.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 183 62.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 31 10.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 13 4.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 3 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 . 17 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 14.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 65 22.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 4 0 1 1 0 0 0 2 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 1 3 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 PARALLEL BRIDGES PER LADDER . 3 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 1 A A 0 0 166 0, 0.0 2,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 13.5 -16.0 147.8 40.3 2 2 A A - 0 0 82 1,-0.3 0, 0.0 2,-0.0 0, 0.0 -0.670 360.0 -17.3-129.4-175.9 -15.3 145.5 37.4 3 3 A I + 0 0 105 -2,-0.2 -1,-0.3 1,-0.1 0, 0.0 0.260 57.8 154.7 -22.0 139.9 -12.5 144.4 35.1 4 4 A V + 0 0 102 -3,-0.1 -1,-0.1 2,-0.1 -2,-0.0 0.384 33.5 113.2-157.5 -1.9 -9.6 146.9 35.0 5 5 A A + 0 0 108 1,-0.2 -2,-0.1 3,-0.0 0, 0.0 0.716 65.5 96.7 -51.1 -13.8 -6.4 145.3 34.0 6 6 A G + 0 0 54 2,-0.0 -1,-0.2 0, 0.0 -2,-0.1 0.895 43.0 99.7 -40.6 -73.2 -7.0 147.6 31.1 7 7 A P + 0 0 118 0, 0.0 2,-0.4 0, 0.0 -3,-0.0 0.125 52.4 162.0 -25.7 99.1 -4.9 150.7 32.0 8 8 A K + 0 0 91 2,-0.0 2,-0.2 0, 0.0 -2,-0.0 -0.985 10.9 171.0-135.9 123.4 -1.9 150.0 29.8 9 9 A Q - 0 0 132 -2,-0.4 3,-0.1 2,-0.1 0, 0.0 -0.734 35.9-137.3-123.5 173.3 0.7 152.5 28.7 10 10 A N S S+ 0 0 158 -2,-0.2 2,-0.3 2,-0.0 -1,-0.0 0.187 87.8 42.6-114.5 11.6 4.0 152.4 26.9 11 11 A a S S- 0 0 47 3,-0.0 17,-0.1 19,-0.0 -2,-0.1 -0.982 88.9 -97.4-153.1 158.8 5.7 154.9 29.3 12 12 A E - 0 0 121 -2,-0.3 17,-2.7 15,-0.3 3,-0.1 -0.627 52.9-100.4 -80.1 136.8 5.9 155.8 32.9 13 13 A P - 0 0 77 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.171 44.2 -98.3 -54.2 148.3 3.5 158.6 34.0 14 14 A D - 0 0 65 14,-0.1 2,-0.2 1,-0.1 13,-0.0 -0.395 40.1-111.8 -68.1 146.6 5.1 162.0 34.4 15 15 A L - 0 0 53 1,-0.1 -1,-0.1 -3,-0.1 5,-0.1 -0.531 33.8-106.3 -78.1 148.7 6.0 163.0 37.9 16 16 A M >> - 0 0 113 -2,-0.2 3,-2.3 1,-0.1 4,-1.6 -0.367 36.7-101.5 -70.5 152.2 4.0 165.8 39.5 17 17 A P T 34 S+ 0 0 93 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.827 120.3 59.8 -42.8 -41.1 5.8 169.2 39.8 18 18 A Y T 34 S+ 0 0 186 1,-0.2 -3,-0.0 2,-0.1 -2,-0.0 0.726 115.5 32.3 -65.2 -21.2 6.5 168.6 43.5 19 19 A A T X4 S+ 0 0 24 -3,-2.3 3,-1.9 1,-0.1 -1,-0.2 0.585 92.9 90.7-110.6 -14.3 8.5 165.4 42.8 20 20 A R G >< S+ 0 0 110 -4,-1.6 3,-1.6 1,-0.3 -2,-0.1 0.825 79.9 61.1 -52.8 -38.9 10.1 166.2 39.4 21 21 A P G 3 S+ 0 0 53 0, 0.0 3,-0.4 0, 0.0 -1,-0.3 0.694 100.6 57.7 -64.8 -15.6 13.2 167.8 41.0 22 22 A F G < S+ 0 0 158 -3,-1.9 -2,-0.2 1,-0.2 176,-0.1 0.368 103.7 49.5 -96.9 4.5 14.0 164.4 42.6 23 23 A A S X S+ 0 0 21 -3,-1.6 3,-2.0 -4,-0.2 10,-0.3 -0.043 70.2 161.7-133.2 34.2 14.1 162.3 39.4 24 24 A V T 3 + 0 0 26 -3,-0.4 10,-0.2 1,-0.2 3,-0.1 -0.295 68.9 24.6 -57.2 133.9 16.4 164.3 37.1 25 25 A G T 3 S+ 0 0 34 8,-3.1 -1,-0.2 1,-0.3 2,-0.2 0.192 94.9 116.3 97.4 -17.6 17.7 162.1 34.3 26 26 A K < - 0 0 144 -3,-2.0 7,-3.3 7,-0.1 2,-0.5 -0.532 62.4-123.3 -86.3 153.7 14.9 159.6 34.3 27 27 A R E +A 32 0A 165 5,-0.2 -15,-0.3 -2,-0.2 5,-0.2 -0.844 34.2 162.9-104.1 128.2 12.5 159.1 31.4 28 28 A T E > -A 31 0A 11 3,-2.6 3,-1.9 -2,-0.5 -14,-0.1 -0.639 59.7 -72.1-124.2-176.0 8.7 159.4 31.7 29 29 A a T 3 S+ 0 0 55 -17,-2.7 3,-0.1 1,-0.3 -2,-0.0 0.845 132.5 48.6 -49.3 -41.9 6.0 159.9 29.1 30 30 A S T 3 S- 0 0 101 1,-0.3 2,-0.3 -19,-0.0 -1,-0.3 0.603 121.2-104.1 -76.7 -10.9 7.0 163.5 28.3 31 31 A G E < -A 28 0A 16 -3,-1.9 -3,-2.6 2,-0.0 2,-0.3 -0.860 68.2 -4.8 125.7-161.1 10.7 162.5 28.0 32 32 A I E S-A 27 0A 92 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.568 70.5-119.6 -74.5 128.6 13.8 162.8 30.1 33 33 A V - 0 0 13 -7,-3.3 -8,-3.1 -2,-0.3 2,-0.2 -0.552 35.4-155.4 -70.1 121.8 13.3 164.8 33.3 34 34 A G - 0 0 52 -2,-0.4 -11,-0.1 -10,-0.2 3,-0.1 -0.488 24.8 -81.4 -96.8 169.2 15.6 167.8 33.1 35 35 A L - 0 0 33 -2,-0.2 -1,-0.1 1,-0.1 163,-0.1 -0.314 56.7 -92.1 -65.7 148.0 17.1 170.0 35.9 36 36 A P - 0 0 68 0, 0.0 -1,-0.1 0, 0.0 -12,-0.0 -0.283 36.5-160.2 -57.8 149.1 14.9 172.7 37.4 37 37 A S + 0 0 101 -3,-0.1 3,-0.1 115,-0.0 -2,-0.0 -0.039 40.6 124.1-128.0 36.1 15.5 176.0 35.6 38 38 A G S S- 0 0 54 1,-0.2 116,-0.1 115,-0.0 2,-0.0 0.194 70.2 -48.0 -75.8-158.3 14.3 178.8 37.9 39 39 A S - 0 0 122 1,-0.1 -1,-0.2 114,-0.1 3,-0.1 -0.314 67.6 -91.8 -73.4 158.8 16.3 181.8 39.1 40 40 A D - 0 0 56 112,-0.1 112,-0.1 1,-0.1 -1,-0.1 -0.426 44.6-105.2 -70.1 141.5 19.8 181.4 40.5 41 41 A P - 0 0 65 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.337 46.9 -98.3 -63.0 153.8 20.0 181.0 44.3 42 42 A A - 0 0 98 1,-0.1 2,-0.2 -3,-0.1 3,-0.0 -0.426 36.2-112.4 -74.2 150.3 21.2 184.2 45.9 43 43 A F - 0 0 70 1,-0.1 4,-0.1 -2,-0.1 -1,-0.1 -0.586 11.7-153.6 -81.6 144.3 24.9 184.6 46.8 44 44 A S S S+ 0 0 81 -2,-0.2 -1,-0.1 2,-0.1 68,-0.1 0.664 80.8 66.2 -88.2 -18.8 25.8 184.7 50.5 45 45 A Q S S- 0 0 65 67,-0.1 -2,-0.1 1,-0.1 5,-0.0 -0.783 95.6-103.7-104.8 146.7 28.9 186.7 49.7 46 46 A P >> - 0 0 75 0, 0.0 4,-1.7 0, 0.0 3,-1.0 -0.382 31.2-121.3 -64.1 145.2 29.0 190.3 48.3 47 47 A K H 3> S+ 0 0 118 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.847 112.9 59.2 -58.0 -34.1 29.8 190.3 44.6 48 48 A S H 3> S+ 0 0 89 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.819 105.0 50.2 -64.6 -29.9 32.9 192.5 45.2 49 49 A V H <4 S+ 0 0 54 -3,-1.0 4,-0.5 2,-0.2 -1,-0.2 0.885 111.0 47.9 -74.1 -39.1 34.2 189.7 47.5 50 50 A L H >< S+ 0 0 1 -4,-1.7 3,-1.1 1,-0.2 -2,-0.2 0.881 108.5 54.9 -68.5 -37.9 33.7 187.1 44.8 51 51 A D H >< S+ 0 0 56 -4,-2.6 3,-1.8 1,-0.2 -1,-0.2 0.841 97.4 64.5 -64.0 -32.9 35.4 189.3 42.2 52 52 A A T 3< S+ 0 0 84 -4,-1.2 -1,-0.2 1,-0.3 -2,-0.2 0.724 98.0 56.9 -63.6 -20.3 38.5 189.6 44.4 53 53 A G T < S+ 0 0 8 -3,-1.1 48,-2.0 -4,-0.5 2,-0.5 0.474 91.5 86.8 -91.0 -0.3 39.0 185.8 44.0 54 54 A L E < +B 100 0B 17 -3,-1.8 2,-0.3 46,-0.2 46,-0.2 -0.869 49.4 165.9-107.5 131.1 39.1 185.9 40.2 55 55 A T E -B 99 0B 64 44,-2.5 44,-2.8 -2,-0.5 2,-0.4 -0.998 17.0-163.0-142.7 143.4 42.2 186.6 38.1 56 56 A b E > -BC 98 59B 10 3,-0.5 3,-0.8 -2,-0.3 2,-0.7 -0.945 31.3-111.1-123.0 148.1 43.3 186.2 34.5 57 57 A Q T 3 S- 0 0 93 40,-3.1 3,-0.1 -2,-0.4 -2,-0.0 -0.689 95.9 -9.4 -83.6 114.8 46.9 186.1 33.2 58 58 A G T 3 S+ 0 0 84 -2,-0.7 2,-0.3 1,-0.2 -1,-0.2 0.718 127.1 57.8 75.2 22.7 47.7 189.2 31.2 59 59 A A B < S-C 56 0B 41 -3,-0.8 -3,-0.5 5,-0.1 -1,-0.2 -0.987 81.6 -99.9-170.6 165.4 44.1 190.5 31.0 60 60 A S B > -I 63 0C 56 3,-0.7 3,-1.7 -2,-0.3 -5,-0.1 -0.768 28.6-130.2 -95.5 141.6 41.0 191.6 32.9 61 61 A P T 3 S+ 0 0 24 0, 0.0 3,-0.4 0, 0.0 66,-0.2 0.748 108.4 61.4 -61.0 -22.4 38.2 189.1 33.3 62 62 A S T 3 S+ 0 0 86 1,-0.3 2,-0.2 64,-0.1 62,-0.0 0.606 118.0 25.2 -79.8 -13.9 35.8 191.9 32.1 63 63 A S B < S+I 60 0C 90 -3,-1.7 -3,-0.7 65,-0.1 2,-0.3 -0.650 87.7 143.3-152.0 85.3 37.6 192.1 28.7 64 64 A V - 0 0 10 63,-1.6 2,-0.5 -3,-0.4 -5,-0.1 -0.971 41.9-131.6-134.6 145.9 39.4 188.8 27.8 65 65 A S S S- 0 0 84 -2,-0.3 31,-0.3 1,-0.2 63,-0.1 -0.819 81.7 -19.3 -98.5 129.4 40.0 186.8 24.7 66 66 A K S S- 0 0 144 -2,-0.5 30,-2.2 62,-0.2 -1,-0.2 0.901 83.8-165.7 43.4 59.6 39.3 183.0 24.7 67 67 A P E -d 96 0B 4 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.355 15.5-163.0 -75.3 155.2 39.3 182.5 28.4 68 68 A I E -d 97 0B 0 28,-1.6 30,-2.0 65,-0.1 2,-0.6 -0.994 16.3-138.6-132.6 130.9 39.5 179.2 30.2 69 69 A L E -de 98 135B 0 65,-2.2 67,-2.8 -2,-0.4 2,-0.5 -0.862 14.1-161.1 -98.7 122.8 38.5 179.0 33.8 70 70 A L E -de 99 136B 0 28,-2.4 30,-1.4 -2,-0.6 67,-0.2 -0.880 0.6-162.3-103.6 127.3 40.7 176.9 36.1 71 71 A V E - e 0 137B 0 65,-2.2 67,-1.7 -2,-0.5 70,-0.2 -0.951 17.8-138.6-114.5 116.7 39.3 175.8 39.4 72 72 A P - 0 0 0 0, 0.0 2,-0.1 0, 0.0 6,-0.1 -0.002 14.0-104.2 -69.0 169.8 41.9 174.6 42.0 73 73 A G > - 0 0 0 4,-0.2 3,-1.3 1,-0.2 66,-0.1 -0.401 51.7 -68.2 -90.9 169.9 41.9 171.7 44.5 74 74 A T T 3 S+ 0 0 42 1,-0.2 32,-0.2 -2,-0.1 -1,-0.2 -0.279 119.2 19.8 -57.6 137.6 41.4 171.7 48.3 75 75 A G T 3 S+ 0 0 36 30,-2.0 2,-0.3 1,-0.2 -1,-0.2 0.667 111.6 87.3 76.7 17.5 44.2 173.4 50.2 76 76 A T < - 0 0 24 -3,-1.3 -1,-0.2 29,-0.5 2,-0.2 -0.926 65.9-129.5-142.8 167.4 45.5 175.4 47.2 77 77 A T > - 0 0 33 -2,-0.3 4,-2.2 28,-0.1 -4,-0.2 -0.597 44.3 -97.1-105.4 171.7 45.1 178.7 45.3 78 78 A G H > S+ 0 0 0 -2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.952 125.3 47.2 -56.4 -51.3 44.7 178.8 41.5 79 79 A P H > S+ 0 0 35 0, 0.0 4,-2.7 0, 0.0 5,-0.3 0.905 110.1 52.1 -59.1 -41.9 48.5 179.5 41.0 80 80 A Q H 4 S+ 0 0 117 1,-0.2 4,-0.2 2,-0.2 -2,-0.2 0.902 116.2 41.0 -62.1 -38.3 49.5 176.7 43.4 81 81 A S H < S+ 0 0 5 -4,-2.2 5,-0.2 1,-0.1 -1,-0.2 0.908 132.3 18.5 -74.8 -41.5 47.4 174.2 41.5 82 82 A F H ><>S+ 0 0 0 -4,-2.7 5,-2.2 -5,-0.2 3,-1.5 0.507 89.9 95.9-116.0 -5.3 48.1 175.3 38.0 83 83 A D T 3<5S+ 0 0 96 -4,-2.7 -3,-0.1 -5,-0.3 -1,-0.1 0.859 95.8 42.3 -53.8 -38.7 51.3 177.4 37.7 84 84 A S T 3 5S+ 0 0 79 -5,-0.3 -1,-0.3 -4,-0.2 207,-0.2 0.461 133.3 8.7 -89.1 -2.2 53.5 174.4 36.8 85 85 A N T <>5S+ 0 0 4 -3,-1.5 4,-2.6 205,-0.1 5,-0.2 0.301 121.6 25.0-138.8 -94.3 50.9 173.0 34.4 86 86 A W H >5S+ 0 0 0 1,-0.2 4,-1.6 2,-0.2 5,-0.2 0.622 110.2 63.7 -66.8 -13.7 47.6 174.2 32.9 87 87 A I H > S+ 0 0 46 0, 0.0 4,-1.9 0, 0.0 -2,-0.2 0.871 121.5 54.9 -71.3 -30.5 51.2 177.8 30.8 89 89 A L H X S+ 0 0 5 -4,-2.6 4,-1.0 1,-0.2 -3,-0.2 0.900 110.1 45.1 -66.9 -40.2 49.8 174.8 28.9 90 90 A S H <>S+ 0 0 0 -4,-1.6 5,-2.4 -5,-0.2 -1,-0.2 0.864 110.1 54.8 -71.9 -33.9 46.5 176.4 28.2 91 91 A A H ><5S+ 0 0 40 -4,-1.7 3,-1.4 1,-0.2 -1,-0.2 0.901 106.2 52.8 -63.6 -39.3 48.3 179.7 27.1 92 92 A Q H 3<5S+ 0 0 119 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.780 104.7 55.8 -65.4 -28.5 50.3 177.6 24.7 93 93 A L T 3<5S- 0 0 57 -4,-1.0 -1,-0.3 -3,-0.2 -2,-0.2 0.423 128.9 -96.6 -84.4 0.2 47.0 176.2 23.3 94 94 A G T < 5S+ 0 0 43 -3,-1.4 -3,-0.2 1,-0.3 2,-0.2 0.520 83.8 122.8 99.9 5.6 45.8 179.7 22.6 95 95 A Y < - 0 0 50 -5,-2.4 -1,-0.3 -6,-0.1 -29,-0.2 -0.544 63.3-122.7 -96.4 164.6 43.7 180.4 25.7 96 96 A T E - d 0 67B 28 -30,-2.2 -28,-1.6 -31,-0.3 2,-0.2 -0.946 36.0-129.8-104.1 112.9 43.9 183.2 28.2 97 97 A P E + d 0 68B 3 0, 0.0 -40,-3.1 0, 0.0 2,-0.3 -0.476 34.2 172.1 -67.7 129.5 44.3 181.4 31.6 98 98 A b E +Bd 56 69B 0 -30,-2.0 -28,-2.4 -42,-0.3 2,-0.3 -0.944 2.8 173.7-133.0 154.7 42.0 182.6 34.3 99 99 A W E -Bd 55 70B 24 -44,-2.8 -44,-2.5 -2,-0.3 2,-0.4 -0.987 25.5-130.2-157.6 161.8 41.4 181.1 37.7 100 100 A I E -B 54 0B 0 -30,-1.4 -46,-0.2 -2,-0.3 -47,-0.1 -0.904 8.6-165.9-115.9 148.4 39.6 181.5 41.0 101 101 A S - 0 0 31 -48,-2.0 4,-0.2 -2,-0.4 -24,-0.1 -0.603 14.2-161.8-131.7 71.0 41.3 181.3 44.4 102 102 A P > - 0 0 1 0, 0.0 4,-2.5 0, 0.0 5,-0.2 -0.316 36.9 -84.3 -56.3 127.4 38.5 181.0 47.0 103 103 A P T 4 S+ 0 0 69 0, 0.0 5,-0.0 0, 0.0 -50,-0.0 -0.551 107.2 29.7 -84.4 147.2 39.8 181.9 50.4 104 104 A P T >4 S- 0 0 61 0, 0.0 3,-2.0 0, 0.0 -29,-0.2 0.221 125.8 -70.0 -99.8 110.3 41.2 180.3 52.5 105 105 A F T 34 S- 0 0 97 1,-0.3 -30,-2.0 -4,-0.2 -29,-0.5 0.852 91.3 -63.7 51.5 42.0 42.8 177.9 50.1 106 106 A M T 3< S+ 0 0 0 -4,-2.5 -1,-0.3 -32,-0.2 7,-0.1 0.663 110.5 119.9 60.5 17.5 39.5 176.2 49.2 107 107 A L < + 0 0 58 -3,-2.0 73,-2.4 -5,-0.2 74,-0.4 0.678 53.5 83.8 -85.3 -17.8 39.2 175.0 52.8 108 108 A N S S- 0 0 71 71,-0.2 5,-0.2 1,-0.2 70,-0.0 -0.272 100.3 -41.8 -83.1 170.6 35.9 176.8 53.4 109 109 A D >> - 0 0 47 1,-0.2 4,-2.3 3,-0.1 3,-1.2 0.051 48.6-141.7 -31.5 115.8 32.3 175.8 52.6 110 110 A T H 3> S+ 0 0 0 1,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.797 101.8 60.9 -56.0 -30.5 32.2 174.2 49.1 111 111 A Q H 3> S+ 0 0 87 2,-0.2 4,-0.8 1,-0.2 -1,-0.3 0.844 107.5 44.5 -67.2 -32.4 28.9 176.0 48.5 112 112 A V H X> S+ 0 0 18 -3,-1.2 4,-1.3 2,-0.2 3,-0.7 0.895 108.7 55.8 -77.0 -40.9 30.7 179.3 49.0 113 113 A N H 3X S+ 0 0 1 -4,-2.3 4,-1.2 1,-0.3 3,-0.3 0.883 103.9 56.6 -57.6 -35.5 33.6 178.2 46.8 114 114 A T H 3X S+ 0 0 0 -4,-2.0 4,-2.9 1,-0.2 -1,-0.3 0.834 96.6 62.7 -65.5 -32.4 31.0 177.5 44.1 115 115 A E H S+ 0 0 53 -4,-2.3 5,-1.6 -5,-0.3 6,-1.4 0.972 116.6 34.2 -62.8 -52.5 31.1 184.8 29.5 126 126 A A H ><5S+ 0 0 57 -4,-1.7 3,-2.0 -5,-0.2 -2,-0.2 0.905 114.8 59.2 -67.6 -42.8 30.3 188.5 29.2 127 127 A G H 3<5S+ 0 0 12 -4,-3.1 -63,-1.6 1,-0.3 -1,-0.2 0.716 104.8 50.0 -60.3 -23.1 33.9 189.5 29.2 128 128 A S T 3<5S- 0 0 20 -4,-1.3 -1,-0.3 -3,-0.4 -62,-0.2 0.159 134.1 -84.6-102.1 17.8 34.7 187.4 26.2 129 129 A G T < 5S- 0 0 52 -3,-2.0 -3,-0.2 1,-0.1 -2,-0.2 0.810 80.3 -58.8 85.8 34.1 31.8 188.9 24.2 130 130 A N S - 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0 0 8 -4,-1.6 3,-0.5 -5,-0.2 5,-0.1 -0.303 60.4-145.3 -62.0 137.2 37.0 168.3 20.4 271 278 A T T 3 S+ 0 0 146 1,-0.2 -1,-0.1 2,-0.1 -4,-0.1 0.625 102.8 55.7 -77.0 -11.6 33.9 169.4 18.5 272 279 A T T 3 S- 0 0 60 2,-0.3 -1,-0.2 -5,-0.0 3,-0.1 0.601 112.2-120.6 -92.6 -14.7 31.8 167.1 20.7 273 280 A G S < S+ 0 0 3 -3,-0.5 -111,-0.3 1,-0.3 2,-0.3 0.426 84.4 90.4 89.5 -1.9 33.2 168.8 23.8 274 281 A Q S S- 0 0 43 -8,-0.1 -2,-0.3 -113,-0.1 -1,-0.3 -0.918 87.2 -95.6-125.9 152.4 34.6 165.6 25.1 275 282 A A - 0 0 1 -2,-0.3 2,-0.4 -40,-0.2 -8,-0.1 -0.311 41.4-134.1 -61.9 150.2 38.0 163.9 24.7 276 283 A R > - 0 0 122 -13,-0.1 3,-2.3 1,-0.1 4,-0.3 -0.934 7.4-136.7-114.7 133.2 38.0 161.4 21.9 277 284 A S G > S+ 0 0 70 -2,-0.4 3,-1.3 1,-0.3 -1,-0.1 0.793 103.3 65.7 -54.0 -31.2 39.6 157.9 22.1 278 285 A A G 3 S+ 0 0 100 1,-0.2 -1,-0.3 3,-0.0 3,-0.0 0.660 93.8 61.7 -68.0 -14.5 41.1 158.3 18.7 279 286 A D G < S+ 0 0 50 -3,-2.3 2,-0.3 1,-0.1 -1,-0.2 0.524 106.9 39.2 -90.6 -7.0 43.3 161.1 20.1 280 287 A Y < + 0 0 24 -3,-1.3 2,-0.3 -4,-0.3 -1,-0.1 -0.991 59.5 149.0-144.5 153.1 45.2 159.0 22.7 281 288 A G > - 0 0 25 -2,-0.3 3,-2.1 -3,-0.0 4,-0.3 -0.867 61.8 -52.5-158.5-167.3 46.7 155.6 23.0 282 289 A I G > S+ 0 0 127 1,-0.3 3,-1.4 -2,-0.3 -40,-0.0 0.773 123.9 61.7 -52.1 -33.1 49.4 153.5 24.6 283 290 A T G 3 S+ 0 0 122 1,-0.3 -1,-0.3 3,-0.0 -40,-0.0 0.743 100.4 55.0 -69.8 -20.4 52.2 155.8 23.4 284 291 A D G < S+ 0 0 33 -3,-2.1 2,-2.7 1,-0.1 -1,-0.3 0.440 74.5 108.8 -89.7 -0.5 50.7 158.6 25.4 285 292 A c < + 0 0 25 -3,-1.4 -1,-0.1 -4,-0.3 -3,-0.1 -0.412 44.9 141.3 -77.2 68.3 50.8 156.5 28.6 286 293 A N - 0 0 55 -2,-2.7 -27,-1.7 2,-0.1 -28,-0.7 -0.961 39.7-165.2-116.1 118.8 53.6 158.7 30.0 287 294 A P + 0 0 71 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.581 58.0 107.0 -79.5 -10.3 53.6 159.5 33.7 288 295 A L S S- 0 0 109 1,-0.1 -30,-2.1 -31,-0.1 -29,-0.2 -0.298 86.3 -85.0 -68.3 153.4 56.2 162.3 33.4 289 296 A P B -L 257 0F 73 0, 0.0 3,-0.4 0, 0.0 -32,-0.2 -0.326 30.1-145.9 -60.5 137.2 55.0 165.9 33.7 290 297 A A S S+ 0 0 20 -34,-2.7 -33,-0.1 1,-0.2 -32,-0.1 0.913 98.2 54.4 -70.9 -44.9 53.7 167.4 30.5 291 298 A N 0 0 72 -35,-0.4 -1,-0.2 1,-0.2 -34,-0.1 0.596 360.0 360.0 -66.7 -9.2 55.0 170.9 31.1 292 299 A D 0 0 113 -3,-0.4 -1,-0.2 -4,-0.0 -2,-0.2 0.985 360.0 360.0 -61.6 360.0 58.4 169.4 31.6