==== 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 LIPID BINDING PROTEIN 11-MAY-04 1T7V . COMPND 2 MOLECULE: ZINC-ALPHA-2-GLYCOPROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.L.DELKER,A.P.WEST JR.,L.MCDERMOTT,M.W.KENNEDY,P.J.BJORKMAN . 273 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15788.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 200 73.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 100 36.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.5 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 . 16 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 54 19.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.8 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 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 1 2 0 3 0 1 3 1 1 1 1 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 2 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 5 A D 0 0 145 0, 0.0 2,-0.2 0, 0.0 101,-0.0 0.000 360.0 360.0 360.0 155.3 17.6 79.1 2.7 2 6 A G - 0 0 30 100,-0.1 101,-0.8 1,-0.0 102,-0.6 -0.449 360.0 -62.3-120.6-164.8 17.7 77.0 5.9 3 7 A R E +A 102 0A 130 99,-0.2 2,-0.4 -2,-0.2 99,-0.2 -0.701 47.2 176.3 -88.1 129.5 15.4 75.8 8.6 4 8 A Y E -A 101 0A 31 97,-2.7 97,-2.6 -2,-0.4 2,-0.4 -0.999 7.7-165.9-132.8 138.9 13.8 78.4 11.0 5 9 A S E -A 100 0A 35 -2,-0.4 25,-2.1 95,-0.2 2,-0.5 -0.968 9.7-161.6-128.4 139.7 11.3 77.8 13.8 6 10 A L E +AB 99 29A 0 93,-3.0 93,-1.9 -2,-0.4 2,-0.4 -0.988 21.8 177.3-117.0 120.9 9.0 80.2 15.7 7 11 A T E -AB 98 28A 24 21,-2.5 21,-2.7 -2,-0.5 2,-0.4 -0.986 14.6-168.0-133.6 135.7 7.8 78.7 19.0 8 12 A Y E -AB 97 27A 17 89,-2.9 89,-2.1 -2,-0.4 2,-0.4 -0.961 3.1-167.1-118.3 140.7 5.6 80.0 21.8 9 13 A I E -AB 96 26A 60 17,-2.3 17,-1.8 -2,-0.4 2,-0.4 -0.993 2.7-169.3-130.1 125.0 5.1 78.4 25.2 10 14 A Y E -AB 95 25A 6 85,-2.5 85,-2.5 -2,-0.4 2,-0.4 -0.928 2.2-171.3-112.0 139.8 2.4 79.6 27.7 11 15 A T E -AB 94 24A 37 13,-2.7 13,-2.2 -2,-0.4 2,-0.4 -0.993 3.5-178.4-134.1 123.8 2.2 78.4 31.3 12 16 A G E -AB 93 23A 0 81,-2.8 81,-2.1 -2,-0.4 2,-0.4 -0.959 10.3-158.8-124.6 143.4 -0.7 79.0 33.7 13 17 A L E -A 92 0A 39 9,-2.2 3,-0.5 -2,-0.4 79,-0.2 -0.982 10.3-152.1-121.0 130.9 -1.0 78.0 37.4 14 18 A S S S+ 0 0 42 77,-2.3 2,-0.2 -2,-0.4 78,-0.1 0.751 95.6 22.0 -76.4 -24.3 -4.4 77.8 39.0 15 19 A K S S- 0 0 93 76,-0.5 -1,-0.3 7,-0.1 2,-0.1 -0.687 84.2-167.8-141.6 80.7 -3.1 78.5 42.5 16 20 A H - 0 0 99 -3,-0.5 2,-0.1 -2,-0.2 6,-0.1 -0.448 13.1-134.9 -74.4 143.4 0.3 80.3 42.1 17 21 A V > - 0 0 95 1,-0.2 3,-2.0 -2,-0.1 -1,-0.1 -0.401 46.5 -54.9 -90.1 173.4 2.4 80.6 45.2 18 22 A E T 3 S+ 0 0 165 1,-0.3 -1,-0.2 -2,-0.1 0, 0.0 -0.169 122.4 6.1 -52.8 129.9 4.3 83.8 46.3 19 23 A D T 3 S+ 0 0 159 1,-0.2 -1,-0.3 -3,-0.1 21,-0.0 0.541 101.6 107.0 74.7 7.3 6.6 85.3 43.7 20 24 A V S < S- 0 0 53 -3,-2.0 -1,-0.2 20,-0.0 -7,-0.0 -0.977 71.7-126.6-115.3 120.9 5.6 82.9 40.9 21 25 A P - 0 0 25 0, 0.0 -4,-0.1 0, 0.0 3,-0.1 -0.383 9.7-132.8 -65.2 143.4 3.4 84.6 38.3 22 26 A A S S+ 0 0 19 1,-0.2 -9,-2.2 -6,-0.1 2,-0.4 0.837 92.6 29.5 -65.5 -31.0 0.1 82.9 37.5 23 27 A F E +B 12 0A 0 -11,-0.2 16,-2.5 2,-0.0 2,-0.3 -0.996 66.9 173.9-135.8 133.7 0.8 83.2 33.8 24 28 A Q E -BC 11 38A 83 -13,-2.2 -13,-2.7 -2,-0.4 2,-0.3 -0.985 5.7-172.2-137.8 147.3 4.0 83.3 31.9 25 29 A A E +BC 10 37A 5 12,-2.7 12,-1.9 -2,-0.3 2,-0.3 -0.982 4.5 176.9-138.7 147.8 4.8 83.3 28.1 26 30 A L E -BC 9 36A 51 -17,-1.8 -17,-2.3 -2,-0.3 2,-0.3 -0.974 10.9-155.5-146.2 160.8 7.9 83.0 26.2 27 31 A G E -BC 8 35A 0 8,-1.6 7,-2.1 -2,-0.3 8,-1.2 -1.000 6.9-165.8-141.4 142.9 8.9 82.8 22.5 28 32 A S E -BC 7 33A 27 -21,-2.7 -21,-2.5 -2,-0.3 2,-0.5 -0.956 14.9-155.5-130.7 147.6 11.9 81.4 20.7 29 33 A L E > S-BC 6 32A 0 3,-2.9 3,-2.3 -2,-0.4 -23,-0.2 -0.992 76.0 -47.0-119.0 115.2 13.4 81.7 17.2 30 34 A N T 3 S- 0 0 50 -25,-2.1 -23,-0.1 -2,-0.5 -26,-0.1 -0.351 127.1 -16.1 54.6-128.5 15.5 78.6 16.6 31 35 A D T 3 S+ 0 0 57 -3,-0.1 2,-0.4 146,-0.1 -1,-0.3 0.419 123.0 85.2 -87.2 6.8 17.7 78.0 19.7 32 36 A L E < -C 29 0A 2 -3,-2.3 -3,-2.9 204,-0.0 2,-0.5 -0.864 70.0-134.3-118.0 140.9 17.2 81.5 21.1 33 37 A Q E +C 28 0A 48 -2,-0.4 -5,-0.3 -5,-0.3 3,-0.1 -0.765 22.3 177.7 -88.5 126.7 14.5 83.1 23.3 34 38 A F E + 0 0 1 -7,-2.1 13,-2.0 -2,-0.5 2,-0.3 0.585 58.8 9.0-106.3 -12.8 13.5 86.5 21.9 35 39 A F E -CD 27 46A 1 -8,-1.2 -8,-1.6 11,-0.3 2,-0.3 -0.994 50.5-168.6-160.3 165.0 10.7 87.6 24.3 36 40 A R E -CD 26 45A 121 9,-1.5 9,-2.7 -2,-0.3 2,-0.3 -0.970 3.9-177.5-151.6 161.4 8.9 87.0 27.6 37 41 A Y E -C 25 0A 4 -12,-1.9 -12,-2.7 -2,-0.3 2,-0.3 -0.956 5.2-175.3-158.2 141.3 5.8 88.2 29.3 38 42 A N E > -C 24 0A 26 5,-0.3 4,-2.4 -2,-0.3 5,-0.3 -0.965 38.0-113.4-142.3 161.0 4.2 87.4 32.7 39 43 A S T 4 S+ 0 0 18 -16,-2.5 -15,-0.1 -2,-0.3 -1,-0.0 0.509 109.9 60.6 -70.1 -4.5 1.0 88.3 34.6 40 44 A K T 4 S+ 0 0 162 -17,-0.3 -1,-0.2 3,-0.1 -16,-0.0 0.942 121.0 18.6 -84.1 -58.6 3.0 90.3 37.2 41 45 A D T 4 S- 0 0 76 2,-0.1 -2,-0.2 1,-0.0 3,-0.1 0.768 88.0-152.0 -82.8 -29.9 4.6 93.0 35.0 42 46 A R < + 0 0 83 -4,-2.4 2,-0.4 1,-0.2 -3,-0.1 0.810 51.5 123.5 62.5 31.5 2.1 92.5 32.1 43 47 A K - 0 0 86 -5,-0.3 2,-0.6 23,-0.1 -5,-0.3 -0.981 60.9-134.8-128.7 134.5 4.7 93.6 29.6 44 48 A S - 0 0 5 15,-0.5 -7,-0.2 -2,-0.4 19,-0.2 -0.757 34.2-172.1 -84.0 122.9 6.0 91.8 26.5 45 49 A Q E -D 36 0A 67 -9,-2.7 -9,-1.5 -2,-0.6 6,-0.1 -0.949 21.6-126.4-123.2 134.5 9.7 92.4 26.6 46 50 A P E -D 35 0A 33 0, 0.0 2,-0.3 0, 0.0 -11,-0.3 -0.328 30.7-152.9 -70.2 162.2 12.4 91.5 24.0 47 51 A M > - 0 0 35 -13,-2.0 3,-1.8 186,-0.0 4,-0.2 -0.914 43.4 -11.0-135.7 160.7 15.3 89.4 25.2 48 52 A G G > S- 0 0 5 -2,-0.3 3,-2.0 1,-0.3 4,-0.2 -0.185 128.2 -6.1 55.7-138.5 18.9 88.8 24.3 49 53 A L G > S+ 0 0 29 184,-0.5 3,-1.2 1,-0.3 -1,-0.3 0.667 126.5 71.9 -63.8 -17.3 20.1 90.3 21.0 50 54 A W G X S+ 0 0 4 -3,-1.8 3,-0.9 1,-0.3 -1,-0.3 0.648 79.1 75.3 -74.6 -12.6 16.6 91.4 20.2 51 55 A R G < S+ 0 0 158 -3,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.751 100.1 44.8 -68.1 -20.4 16.8 94.1 22.9 52 56 A Q G < S+ 0 0 153 -3,-1.2 2,-0.4 -4,-0.2 -1,-0.3 0.416 92.8 101.6-100.4 -1.6 19.0 95.9 20.4 53 57 A V < - 0 0 34 -3,-0.9 2,-0.4 -4,-0.1 3,-0.1 -0.691 57.1-158.0 -88.4 134.9 16.7 95.3 17.4 54 58 A E + 0 0 172 -2,-0.4 -2,-0.0 1,-0.1 -3,-0.0 -0.915 63.6 10.6-117.6 138.8 14.5 98.1 16.3 55 59 A G S S+ 0 0 56 -2,-0.4 -1,-0.1 2,-0.3 3,-0.1 0.469 87.7 107.9 84.1 2.1 11.3 98.0 14.3 56 60 A M S S+ 0 0 7 1,-0.3 2,-0.3 -6,-0.1 -2,-0.1 0.882 90.7 0.4 -79.2 -37.3 10.7 94.3 14.4 57 61 A E - 0 0 49 112,-0.0 2,-1.1 4,-0.0 -2,-0.3 -0.994 63.7-125.5-150.8 148.3 7.8 94.4 16.8 58 62 A D >> - 0 0 95 -2,-0.3 4,-2.4 1,-0.2 3,-0.5 -0.814 27.5-168.9 -94.9 95.2 5.8 97.0 18.7 59 63 A W H 3> S+ 0 0 50 -2,-1.1 4,-2.0 1,-0.2 -15,-0.5 0.792 80.3 59.9 -59.5 -27.6 6.2 95.6 22.2 60 64 A K H 3> S+ 0 0 173 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.927 110.6 40.5 -68.9 -40.2 3.6 97.9 23.7 61 65 A Q H <> S+ 0 0 124 -3,-0.5 4,-1.9 1,-0.2 3,-0.3 0.879 111.4 56.4 -74.6 -35.0 0.9 96.6 21.4 62 66 A D H X S+ 0 0 18 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.885 101.0 60.6 -61.6 -33.4 2.2 93.0 21.8 63 67 A S H X S+ 0 0 5 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.884 104.3 48.4 -58.5 -39.8 1.7 93.6 25.5 64 68 A Q H X S+ 0 0 88 -4,-1.0 4,-1.8 -3,-0.3 -1,-0.2 0.886 110.5 50.7 -68.9 -39.6 -2.0 94.2 24.9 65 69 A L H X S+ 0 0 72 -4,-1.9 4,-2.9 1,-0.2 -2,-0.2 0.960 109.3 50.3 -61.8 -49.4 -2.3 91.1 22.8 66 70 A Q H X S+ 0 0 2 -4,-2.9 4,-3.4 1,-0.2 -1,-0.2 0.842 107.0 55.5 -58.9 -34.1 -0.6 88.9 25.5 67 71 A K H X S+ 0 0 49 -4,-1.7 4,-2.1 -5,-0.2 -1,-0.2 0.913 110.2 45.3 -65.4 -40.4 -3.0 90.3 28.1 68 72 A A H X S+ 0 0 49 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.925 114.4 48.5 -68.3 -40.9 -5.9 89.2 25.9 69 73 A R H X S+ 0 0 72 -4,-2.9 4,-2.8 1,-0.2 -2,-0.2 0.933 109.8 52.6 -61.7 -45.5 -4.2 85.8 25.4 70 74 A E H X S+ 0 0 13 -4,-3.4 4,-2.8 1,-0.2 5,-0.3 0.910 106.5 54.0 -56.5 -45.6 -3.6 85.5 29.1 71 75 A D H X S+ 0 0 101 -4,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.908 113.0 40.6 -57.7 -46.2 -7.2 86.1 29.8 72 76 A I H X S+ 0 0 103 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.915 114.8 52.9 -69.8 -42.6 -8.5 83.3 27.5 73 77 A F H X S+ 0 0 7 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.939 111.5 44.9 -58.6 -48.7 -5.7 80.9 28.6 74 78 A M H X S+ 0 0 42 -4,-2.8 4,-2.9 1,-0.2 -1,-0.2 0.829 110.0 54.9 -69.0 -28.5 -6.5 81.3 32.3 75 79 A E H X S+ 0 0 105 -4,-1.4 4,-2.6 -5,-0.3 -1,-0.2 0.880 106.4 52.6 -69.1 -37.9 -10.2 81.0 31.7 76 80 A T H X S+ 0 0 9 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.951 111.6 45.4 -60.6 -47.5 -9.6 77.7 29.9 77 81 A L H X S+ 0 0 1 -4,-2.0 4,-2.7 1,-0.2 5,-0.3 0.945 111.2 53.6 -61.3 -45.8 -7.6 76.5 33.0 78 82 A K H X S+ 0 0 90 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.920 108.0 50.7 -55.4 -43.9 -10.3 77.7 35.3 79 83 A D H X S+ 0 0 43 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.862 109.7 49.7 -62.4 -37.8 -12.9 75.7 33.4 80 84 A I H X S+ 0 0 0 -4,-1.8 4,-1.9 2,-0.2 5,-0.2 0.959 110.8 48.4 -66.6 -50.3 -10.9 72.5 33.5 81 85 A V H <>S+ 0 0 5 -4,-2.7 5,-2.0 1,-0.2 4,-0.4 0.896 111.6 51.5 -57.5 -37.9 -10.4 72.8 37.2 82 86 A E H ><5S+ 0 0 108 -4,-2.2 3,-0.8 -5,-0.3 -1,-0.2 0.884 105.7 55.1 -64.7 -41.4 -14.1 73.5 37.6 83 87 A Y H 3<5S+ 0 0 119 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.868 112.2 42.3 -62.0 -37.9 -15.0 70.4 35.6 84 88 A Y T 3<5S- 0 0 84 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.491 107.0-130.4 -88.3 0.7 -12.9 68.2 38.0 85 89 A K T < 5S+ 0 0 188 -3,-0.8 -3,-0.2 -4,-0.4 3,-0.1 0.926 70.0 121.5 53.9 50.4 -14.3 70.1 41.0 86 90 A D > < + 0 0 57 -5,-2.0 3,-2.0 1,-0.1 -4,-0.1 -0.122 9.6 138.1-139.1 45.1 -10.8 70.6 42.4 87 91 A S T 3 S+ 0 0 72 1,-0.3 4,-0.1 -6,-0.1 -1,-0.1 0.625 72.2 66.3 -64.6 -13.4 -10.1 74.3 42.8 88 92 A T T 3 S+ 0 0 123 -3,-0.1 -1,-0.3 2,-0.1 2,-0.1 0.596 93.3 79.8 -82.5 -9.4 -8.4 73.6 46.2 89 93 A G S < S- 0 0 15 -3,-2.0 2,-0.6 -8,-0.1 -3,-0.0 -0.412 87.7-117.1 -89.8 169.5 -5.8 71.8 44.3 90 94 A S + 0 0 82 -2,-0.1 2,-0.3 -76,-0.1 -2,-0.1 -0.942 42.0 174.8-108.8 117.9 -2.9 73.4 42.4 91 95 A H - 0 0 19 -2,-0.6 -77,-2.3 -4,-0.1 -76,-0.5 -0.780 16.9-150.6-122.8 168.8 -3.1 72.7 38.7 92 96 A V E -A 13 0A 30 -2,-0.3 24,-2.5 -79,-0.2 2,-0.4 -0.989 6.2-166.7-140.6 144.9 -1.2 73.7 35.6 93 97 A L E -AE 12 115A 0 -81,-2.1 -81,-2.8 -2,-0.3 2,-0.4 -0.995 11.4-174.6-126.3 133.5 -2.0 74.2 31.9 94 98 A Q E -AE 11 114A 74 20,-2.5 20,-3.0 -2,-0.4 2,-0.4 -0.977 2.0-169.8-128.3 141.4 0.9 74.6 29.4 95 99 A G E -AE 10 113A 1 -85,-2.5 -85,-2.5 -2,-0.4 2,-0.4 -0.984 3.6-168.4-132.8 143.9 0.3 75.4 25.7 96 100 A R E +AE 9 112A 93 16,-2.7 16,-2.4 -2,-0.4 2,-0.3 -0.999 16.0 158.9-132.8 134.2 2.8 75.3 22.8 97 101 A F E +AE 8 111A 9 -89,-2.1 -89,-2.9 -2,-0.4 2,-0.3 -0.996 13.4 101.9-153.4 155.5 2.3 76.7 19.4 98 102 A G E -AE 7 110A 0 12,-1.9 12,-2.0 -2,-0.3 2,-0.3 -0.988 41.5-117.4 160.7-169.8 4.3 77.8 16.4 99 103 A C E -AE 6 109A 1 -93,-1.9 -93,-3.0 -2,-0.3 2,-0.3 -0.931 11.0-140.4-154.5 176.4 5.5 77.0 13.0 100 104 A E E -AE 5 108A 42 8,-2.5 7,-2.8 -2,-0.3 8,-1.0 -0.979 4.4-160.0-145.4 154.9 8.6 76.4 10.9 101 105 A I E -AE 4 106A 2 -97,-2.6 -97,-2.7 -2,-0.3 2,-0.3 -0.931 3.4-170.9-130.6 155.3 9.9 77.1 7.4 102 106 A E E > S+AE 3 105A 79 3,-2.2 3,-2.1 -2,-0.3 -99,-0.2 -0.965 79.2 1.2-146.9 129.3 12.6 75.5 5.4 103 107 A N T 3 S- 0 0 99 -101,-0.8 -100,-0.1 -2,-0.3 3,-0.1 0.902 131.5 -62.1 56.6 40.4 14.0 76.9 2.2 104 108 A N T 3 S+ 0 0 78 -102,-0.6 2,-0.4 1,-0.2 -1,-0.3 0.536 115.7 113.7 62.5 9.8 11.5 79.7 2.6 105 109 A R E < S-E 102 0A 191 -3,-2.1 -3,-2.2 2,-0.0 -1,-0.2 -0.919 78.9-103.7-113.0 134.8 8.5 77.2 2.5 106 110 A S E +E 101 0A 69 -2,-0.4 -5,-0.3 -5,-0.2 3,-0.1 -0.314 45.0 170.3 -50.8 128.0 6.2 76.5 5.5 107 111 A S E + 0 0 49 -7,-2.8 2,-0.3 1,-0.4 -6,-0.2 0.337 53.6 0.5-127.0 4.7 7.3 73.1 6.7 108 112 A G E -E 100 0A 25 -8,-1.0 -8,-2.5 50,-0.1 -1,-0.4 -0.885 49.1-177.0 175.0 152.6 5.5 72.5 10.0 109 113 A A E +E 99 0A 33 -10,-0.3 2,-0.3 -2,-0.3 -10,-0.2 -0.967 8.1 179.0-158.9 152.8 3.0 73.9 12.5 110 114 A F E +E 98 0A 40 -12,-2.0 -12,-1.9 -2,-0.3 2,-0.2 -0.992 13.8 179.4-157.6 157.1 1.7 72.8 15.9 111 115 A W E +E 97 0A 44 -2,-0.3 12,-2.5 12,-0.3 2,-0.3 -0.747 24.7 151.2-164.3 106.5 -0.7 73.9 18.6 112 116 A K E -EF 96 122A 40 -16,-2.4 -16,-2.7 -2,-0.2 2,-0.3 -0.995 26.9-150.1-146.4 148.7 -1.2 71.7 21.6 113 117 A Y E -EF 95 121A 22 8,-2.9 7,-3.0 -2,-0.3 8,-1.0 -0.888 4.8-159.5-120.7 153.5 -2.1 72.0 25.3 114 118 A Y E -EF 94 119A 58 -20,-3.0 -20,-2.5 -2,-0.3 2,-0.5 -0.997 3.2-158.8-133.2 135.4 -1.1 69.9 28.3 115 119 A Y E > S-EF 93 118A 15 3,-2.4 3,-2.1 -2,-0.4 -22,-0.2 -0.968 81.4 -13.8-119.5 122.1 -3.0 69.8 31.7 116 120 A D T 3 S- 0 0 44 -24,-2.5 -1,-0.2 -2,-0.5 -23,-0.1 0.860 130.6 -55.9 51.6 38.6 -1.1 68.6 34.7 117 121 A G T 3 S+ 0 0 53 1,-0.2 2,-0.3 -25,-0.2 -1,-0.3 0.305 115.3 112.0 82.9 -10.7 1.5 67.3 32.3 118 122 A K E < S-F 115 0A 133 -3,-2.1 -3,-2.4 1,-0.1 -1,-0.2 -0.735 80.9 -91.6 -99.0 148.4 -0.9 65.1 30.3 119 123 A D E +F 114 0A 74 -2,-0.3 -5,-0.3 -5,-0.2 -1,-0.1 -0.240 48.7 171.8 -51.9 133.6 -2.0 65.7 26.7 120 124 A Y E - 0 0 2 -7,-3.0 13,-2.7 1,-0.4 14,-1.3 0.813 53.4 -27.1-113.5 -57.1 -5.2 67.8 26.8 121 125 A I E -FG 113 132A 0 -8,-1.0 -8,-2.9 11,-0.2 -1,-0.4 -0.977 53.8-171.3-158.9 148.3 -6.2 69.1 23.3 122 126 A E E -FG 112 131A 62 9,-1.7 9,-2.7 -2,-0.3 2,-0.5 -0.989 24.8-116.6-144.1 156.9 -4.4 69.8 20.0 123 127 A F E - G 0 130A 14 -12,-2.5 2,-0.7 -2,-0.3 -12,-0.3 -0.799 16.2-163.8 -98.1 131.3 -5.4 71.4 16.7 124 128 A N E > > - G 0 129A 61 5,-2.8 5,-1.9 -2,-0.5 3,-1.1 -0.916 4.6-168.3-110.3 104.0 -5.3 69.3 13.5 125 129 A K T 3 5S+ 0 0 73 -2,-0.7 -1,-0.1 1,-0.2 5,-0.1 0.632 78.3 68.1 -71.7 -12.7 -5.4 71.9 10.7 126 130 A E T 3 5S+ 0 0 172 1,-0.1 -1,-0.2 3,-0.1 -3,-0.0 0.793 114.8 25.6 -75.4 -26.8 -6.0 69.3 8.0 127 131 A I T < 5S- 0 0 111 -3,-1.1 -2,-0.2 2,-0.2 -1,-0.1 0.971 109.6-130.1 -68.9 -55.4 -9.5 68.5 9.3 128 132 A P T 5 + 0 0 43 0, 0.0 2,-0.3 0, 0.0 -3,-0.2 0.665 62.4 97.4 -99.3 142.9 -9.5 71.3 10.5 129 133 A A E < -G 124 0A 16 -5,-1.9 -5,-2.8 22,-0.1 -2,-0.2 -0.955 69.5 -90.6-175.5 161.5 -10.6 70.8 14.1 130 134 A W E -G 123 0A 13 -2,-0.3 -7,-0.2 -7,-0.2 21,-0.0 -0.506 33.6-146.0 -81.1 150.2 -9.5 70.5 17.6 131 135 A V E -G 122 0A 37 -9,-2.7 -9,-1.7 -2,-0.2 2,-0.3 -0.972 11.1-146.2-121.6 116.7 -8.8 67.0 18.9 132 136 A P E +G 121 0A 45 0, 0.0 -11,-0.2 0, 0.0 -12,-0.1 -0.600 24.8 169.3 -86.4 141.2 -9.6 66.2 22.6 133 137 A F + 0 0 89 -13,-2.7 -12,-0.2 -2,-0.3 -13,-0.1 0.592 68.0 53.9-117.5 -24.4 -7.5 63.8 24.7 134 138 A D S >> S- 0 0 32 -14,-1.3 3,-0.9 1,-0.1 4,-0.5 -0.822 87.7-118.7-109.2 148.8 -8.9 64.5 28.2 135 139 A P H >> S+ 0 0 64 0, 0.0 3,-1.5 0, 0.0 4,-0.5 0.898 115.3 54.5 -56.6 -37.2 -12.7 64.3 29.0 136 140 A A H >> S+ 0 0 2 1,-0.3 4,-1.6 2,-0.2 3,-1.0 0.805 95.5 68.8 -65.9 -24.4 -12.7 68.0 29.9 137 141 A A H <> S+ 0 0 0 -3,-0.9 4,-2.7 1,-0.3 -1,-0.3 0.703 85.6 68.7 -68.4 -16.7 -11.2 68.9 26.5 138 142 A Q H < S+ 0 0 139 -4,-1.7 3,-0.5 1,-0.2 -1,-0.2 0.914 112.9 44.6 -56.0 -43.5 -17.3 72.6 22.0 143 147 A K H >< S+ 0 0 105 -4,-2.2 3,-1.2 1,-0.2 -1,-0.2 0.895 111.6 51.1 -68.6 -40.9 -16.5 76.2 23.1 144 148 A W H 3< S+ 0 0 49 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.572 117.3 41.0 -74.9 -6.8 -13.6 76.7 20.6 145 149 A E T << S+ 0 0 49 -4,-1.0 -1,-0.2 -3,-0.5 -2,-0.2 0.108 75.6 118.0-125.0 22.1 -15.8 75.5 17.8 146 150 A A S < S+ 0 0 61 -3,-1.2 -2,-0.1 -5,-0.1 -1,-0.1 0.750 80.6 34.8 -62.0 -29.5 -19.1 77.2 18.7 147 151 A E S > S- 0 0 107 -4,-0.2 3,-1.9 -3,-0.1 4,-0.5 -0.972 87.1-120.2-126.0 144.7 -19.1 79.2 15.4 148 152 A P T 3> S+ 0 0 99 0, 0.0 4,-0.9 0, 0.0 3,-0.5 0.802 108.3 62.9 -51.6 -38.0 -17.8 78.0 12.0 149 153 A V H 3> S+ 0 0 60 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.706 85.6 75.7 -66.4 -17.6 -15.3 80.8 11.8 150 154 A Y H <> S+ 0 0 86 -3,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.941 98.6 41.0 -63.0 -47.3 -13.4 79.6 14.9 151 155 A V H > S+ 0 0 25 -4,-0.5 4,-2.3 -3,-0.5 -1,-0.2 0.819 113.4 55.9 -70.7 -25.2 -11.6 76.6 13.2 152 156 A Q H X S+ 0 0 124 -4,-0.9 4,-2.3 2,-0.2 -1,-0.2 0.907 107.9 47.7 -69.5 -40.7 -11.0 78.7 10.1 153 157 A R H X S+ 0 0 162 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.870 112.0 50.6 -63.7 -38.9 -9.2 81.4 12.2 154 158 A A H X S+ 0 0 6 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.926 111.5 47.1 -66.8 -43.9 -7.2 78.6 13.9 155 159 A K H X S+ 0 0 66 -4,-2.3 4,-2.1 1,-0.2 5,-0.2 0.911 112.3 50.3 -64.2 -40.4 -6.2 77.1 10.6 156 160 A A H X>S+ 0 0 21 -4,-2.3 4,-2.6 1,-0.2 5,-2.2 0.841 106.3 56.6 -67.0 -33.5 -5.3 80.6 9.2 157 161 A Y H <>S+ 0 0 25 -4,-2.2 5,-3.0 3,-0.2 -1,-0.2 0.961 113.5 38.4 -62.3 -49.7 -3.1 81.3 12.3 158 162 A L H <5S+ 0 0 6 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.818 127.3 34.6 -70.5 -30.9 -1.0 78.2 11.7 159 163 A E H <5S+ 0 0 67 -4,-2.1 -3,-0.2 -5,-0.2 -2,-0.2 0.720 134.7 11.5 -98.2 -25.3 -0.9 78.5 7.9 160 164 A E T X5S+ 0 0 135 -4,-2.6 4,-1.6 -5,-0.2 -3,-0.2 0.744 125.2 40.1-117.6 -57.1 -0.8 82.2 7.2 161 165 A E H > S+ 0 0 5 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.873 112.0 53.3 -64.1 -28.6 4.6 81.9 9.1 164 168 A A H X S+ 0 0 56 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.890 109.7 48.7 -68.3 -38.1 4.1 85.6 8.1 165 169 A T H X S+ 0 0 44 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.917 110.9 49.9 -66.2 -43.0 5.3 86.6 11.5 166 170 A L H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.928 110.3 50.2 -61.5 -45.0 8.3 84.3 11.3 167 171 A R H X S+ 0 0 81 -4,-2.5 4,-1.4 2,-0.2 -1,-0.2 0.905 111.5 49.0 -60.2 -41.8 9.2 85.7 7.8 168 172 A K H >X S+ 0 0 91 -4,-2.1 4,-1.0 1,-0.2 3,-0.7 0.961 111.4 47.8 -62.4 -51.3 9.0 89.2 9.2 169 173 A Y H >X S+ 0 0 4 -4,-2.7 4,-0.6 1,-0.3 3,-0.6 0.872 107.4 57.9 -57.9 -37.1 11.1 88.5 12.2 170 174 A L H >< S+ 0 0 27 -4,-2.6 3,-0.7 1,-0.2 4,-0.5 0.855 98.5 60.0 -63.7 -32.2 13.7 86.8 9.9 171 175 A K H << S+ 0 0 168 -4,-1.4 3,-0.3 -3,-0.7 -1,-0.2 0.848 114.3 35.4 -63.2 -34.0 14.0 90.0 8.0 172 176 A Y H << S+ 0 0 105 -4,-1.0 -1,-0.2 -3,-0.6 -2,-0.2 0.377 115.4 58.2 -98.7 2.2 15.2 91.8 11.1 173 177 A S XX + 0 0 0 -3,-0.7 4,-2.9 -4,-0.6 3,-1.9 0.248 64.0 108.5-118.9 13.0 17.1 88.9 12.6 174 178 A K H 3> S+ 0 0 135 -4,-0.5 4,-1.7 1,-0.3 5,-0.2 0.910 81.2 52.8 -54.8 -47.0 19.6 88.0 9.9 175 179 A N H 34 S+ 0 0 149 1,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.398 118.2 40.1 -72.2 5.1 22.5 89.4 12.0 176 180 A I H <4 S+ 0 0 10 -3,-1.9 3,-0.4 3,-0.1 -2,-0.2 0.717 121.8 30.6-115.7 -55.6 21.3 87.1 14.8 177 181 A L H < S+ 0 0 9 -4,-2.9 -3,-0.2 1,-0.2 -2,-0.1 0.785 122.0 46.9 -80.6 -25.9 20.2 83.8 13.4 178 182 A D S < S+ 0 0 72 -4,-1.7 -1,-0.2 -5,-0.5 -3,-0.1 0.390 81.3 129.1 -98.5 5.3 22.5 83.5 10.5 179 183 A R - 0 0 26 -3,-0.4 2,-0.3 -5,-0.2 -3,-0.1 -0.166 42.5-162.7 -58.2 152.9 25.7 84.5 12.3 180 184 A Q - 0 0 92 82,-0.1 -1,-0.1 81,-0.0 -2,-0.0 -0.829 20.5-179.2-134.0 84.4 28.9 82.4 11.9 181 185 A D B -H 207 0B 54 26,-2.4 26,-1.6 -2,-0.3 81,-0.2 -0.844 22.0-133.0 -95.5 114.5 30.8 83.7 14.9 182 186 A P - 0 0 74 0, 0.0 2,-0.2 0, 0.0 22,-0.0 -0.268 24.2-108.2 -67.2 149.7 34.2 82.1 15.3 183 187 A P - 0 0 10 0, 0.0 2,-0.4 0, 0.0 22,-0.2 -0.524 16.9-145.0 -80.4 142.5 35.3 80.8 18.7 184 188 A S E -I 204 0C 52 20,-2.5 20,-2.7 -2,-0.2 2,-0.4 -0.786 25.0-152.9 -94.9 149.6 38.0 82.5 20.8 185 189 A V E -I 203 0C 31 -2,-0.4 2,-0.4 18,-0.2 18,-0.2 -0.950 17.1-174.4-127.3 148.6 39.9 79.8 22.7 186 190 A V E -I 202 0C 67 16,-2.3 16,-2.9 -2,-0.4 2,-0.4 -0.975 9.1-157.9-142.5 126.1 41.8 79.9 26.0 187 191 A V E +I 201 0C 28 -2,-0.4 2,-0.3 14,-0.2 14,-0.2 -0.859 21.4 165.9-103.7 138.9 43.9 77.0 27.4 188 192 A T E -I 200 0C 69 12,-2.9 12,-3.7 -2,-0.4 2,-0.3 -0.969 21.0-147.5-149.5 159.9 44.6 76.9 31.1 189 193 A S E -I 199 0C 45 -2,-0.3 2,-0.3 10,-0.3 10,-0.2 -0.947 8.2-167.1-132.7 154.9 45.8 74.5 33.7 190 194 A H E -I 198 0C 141 8,-2.5 8,-3.3 -2,-0.3 2,-0.5 -0.998 10.2-149.8-143.3 144.2 45.1 73.9 37.3 191 195 A Q E -I 197 0C 108 -2,-0.3 6,-0.2 6,-0.2 5,-0.1 -0.955 10.8-149.1-118.8 115.5 46.8 71.9 40.1 192 196 A A > - 0 0 17 4,-1.1 3,-1.6 -2,-0.5 2,-0.9 -0.696 37.4-103.2 -81.8 127.5 44.7 70.5 42.9 193 197 A P T 3 S+ 0 0 136 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.301 111.7 3.6 -53.5 95.6 46.8 70.4 46.1 194 198 A G T 3 S+ 0 0 84 -2,-0.9 2,-0.1 1,-0.5 -2,-0.0 -0.058 118.0 91.0 116.8 -31.3 47.5 66.6 46.1 195 199 A E S < S- 0 0 115 -3,-1.6 -1,-0.5 1,-0.2 3,-0.1 -0.430 84.0 -84.9 -93.8 169.7 45.8 65.8 42.7 196 200 A K - 0 0 102 -2,-0.1 -4,-1.1 1,-0.1 2,-0.3 -0.056 51.3 -93.3 -63.5 171.7 47.2 65.7 39.2 197 201 A K E -IJ 191 246C 66 49,-1.0 49,-3.6 -6,-0.2 2,-0.4 -0.693 41.6-152.3 -88.2 141.7 47.5 68.8 37.0 198 202 A K E -IJ 190 245C 53 -8,-3.3 -8,-2.5 -2,-0.3 2,-0.6 -0.959 5.4-147.1-123.7 137.6 44.5 69.4 34.7 199 203 A L E -IJ 189 244C 0 45,-2.8 45,-1.8 -2,-0.4 2,-0.5 -0.894 13.1-163.3-104.4 122.2 44.4 71.2 31.4 200 204 A K E -IJ 188 243C 85 -12,-3.7 -12,-2.9 -2,-0.6 2,-0.6 -0.903 3.5-165.5-108.8 126.0 41.3 73.1 30.5 201 205 A a E -IJ 187 242C 0 41,-2.6 41,-1.7 -2,-0.5 2,-0.5 -0.952 10.1-169.8-111.3 120.7 40.5 74.2 27.0 202 206 A L E -IJ 186 241C 34 -16,-2.9 -16,-2.3 -2,-0.6 2,-0.5 -0.943 11.5-171.1-118.1 121.4 37.7 76.7 26.6 203 207 A A E +IJ 185 240C 0 37,-3.1 37,-2.9 -2,-0.5 2,-0.3 -0.921 25.8 167.2-104.1 131.5 36.1 77.9 23.3 204 208 A Y E +IJ 184 239C 69 -20,-2.7 -20,-2.5 -2,-0.5 35,-0.2 -0.922 40.0 36.9-143.9 168.6 33.8 80.9 23.8 205 209 A D E S+ 0 0 70 33,-0.8 2,-0.2 -2,-0.3 34,-0.2 0.717 82.3 135.8 63.8 26.2 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