==== 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 CELL ADHESION 04-OCT-08 3ES6 . COMPND 2 MOLECULE: ZINC-ALPHA-2-GLYCOPROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.I.HASSAN,S.BILGRAMI,V.KUMAR,N.SINGH,S.YADAV,P.KAUR,T.P.SIN . 395 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22224.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 259 65.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 139 35.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 1.3 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 . 34 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 53 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.3 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 0 0 0 0 1 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 1 2 2 3 1 1 5 2 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 . 3 0 1 0 0 0 2 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 X 0 0 216 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 126.1 113.5 4.8 30.5 2 2 A E + 0 0 199 1,-0.1 0, 0.0 2,-0.0 0, 0.0 0.657 360.0 58.7-130.7-110.5 114.1 5.3 26.9 3 3 A N - 0 0 127 1,-0.1 -1,-0.1 2,-0.0 0, 0.0 -0.129 32.3-152.8 -75.6 153.5 116.0 6.8 23.6 4 4 A Q + 0 0 118 2,-0.0 -1,-0.1 103,-0.0 -2,-0.0 0.976 34.2 150.8 -72.9 -86.3 119.6 6.5 22.3 5 5 A D + 0 0 99 1,-0.1 101,-0.0 102,-0.0 2,-0.0 0.936 10.5 155.5 47.6 110.1 120.4 9.6 20.2 6 6 A G + 0 0 16 2,-0.0 101,-1.2 99,-0.0 102,-0.7 -0.495 18.8 160.4-150.4 77.4 123.9 11.1 19.7 7 7 A R E +A 106 0A 121 99,-0.3 2,-0.3 100,-0.1 99,-0.2 -0.902 11.1 179.4-108.4 128.6 124.0 13.0 16.4 8 8 A Y E -A 105 0A 16 97,-2.3 97,-2.5 -2,-0.5 2,-0.4 -0.922 10.7-151.6-129.1 149.7 126.6 15.6 15.7 9 9 A S E -A 104 0A 23 -2,-0.3 25,-2.5 95,-0.2 2,-0.5 -0.953 8.7-164.5-131.2 135.8 127.2 17.8 12.7 10 10 A L E +AB 103 33A 1 93,-2.9 93,-1.5 -2,-0.4 2,-0.4 -0.974 22.4 171.7-122.1 118.4 130.2 19.5 11.0 11 11 A T E -AB 102 32A 30 21,-2.2 21,-2.9 -2,-0.5 2,-0.4 -0.965 18.4-162.8-132.3 140.0 129.5 22.2 8.4 12 12 A Y E -AB 101 31A 13 89,-2.8 89,-1.9 -2,-0.4 2,-0.5 -0.978 3.1-163.6-119.8 134.6 131.5 24.7 6.5 13 13 A I E -AB 100 30A 38 17,-2.8 17,-2.1 -2,-0.4 2,-0.4 -0.985 9.2-169.9-115.6 122.6 130.1 27.8 4.7 14 14 A Y E -AB 99 29A 12 85,-3.0 85,-3.0 -2,-0.5 2,-0.4 -0.934 3.3-171.7-111.3 132.5 132.4 29.4 2.2 15 15 A T E +AB 98 28A 38 13,-3.4 13,-2.4 -2,-0.4 2,-0.3 -0.989 5.4 179.4-131.5 128.8 131.5 32.8 0.6 16 16 A G E -AB 97 27A 0 81,-2.6 81,-1.7 -2,-0.4 2,-0.4 -0.909 9.5-159.4-121.7 153.5 133.2 34.7 -2.2 17 17 A L E -A 96 0A 31 9,-1.7 79,-0.2 -2,-0.3 3,-0.1 -0.993 12.1-158.1-134.6 127.8 132.4 38.0 -3.9 18 18 A S S S+ 0 0 39 77,-1.8 2,-0.7 -2,-0.4 -1,-0.2 0.983 90.4 39.4 -63.7 -58.5 133.5 39.2 -7.3 19 19 A K S S+ 0 0 104 74,-0.3 2,-0.3 76,-0.2 -1,-0.2 -0.849 76.9 159.1 -98.2 113.5 133.1 42.9 -6.5 20 20 A H - 0 0 91 -2,-0.7 2,-0.1 -3,-0.1 6,-0.1 -0.951 33.4-124.6-130.0 152.6 134.2 43.9 -3.0 21 21 A V - 0 0 61 -2,-0.3 3,-0.3 4,-0.1 0, 0.0 -0.449 39.2 -93.6 -88.8 168.1 135.3 47.2 -1.4 22 22 A E S S+ 0 0 179 1,-0.2 -1,-0.1 -2,-0.1 -2,-0.0 0.874 123.5 38.1 -46.8 -53.8 138.6 47.8 0.4 23 23 A D S S+ 0 0 75 2,-0.1 -1,-0.2 335,-0.0 336,-0.1 0.771 101.4 84.2 -75.0 -27.8 137.4 47.0 3.9 24 24 A V S S- 0 0 2 -3,-0.3 334,-0.1 334,-0.1 302,-0.0 -0.698 83.9-123.3 -85.1 118.6 135.1 44.1 2.9 25 25 A P - 0 0 7 0, 0.0 -4,-0.1 0, 0.0 -2,-0.1 -0.306 8.6-145.3 -59.8 137.3 137.0 40.8 2.5 26 26 A A S S+ 0 0 15 1,-0.1 -9,-1.7 -6,-0.1 2,-0.4 0.871 83.3 32.3 -72.6 -39.6 136.7 39.1 -0.9 27 27 A F E +B 16 0A 1 -11,-0.2 16,-2.4 2,-0.0 17,-0.4 -0.931 67.5 175.2-123.3 144.9 136.6 35.5 0.5 28 28 A Q E -BC 15 42A 37 -13,-2.4 -13,-3.4 -2,-0.4 2,-0.3 -0.997 6.1-177.4-149.8 147.9 135.3 34.2 3.8 29 29 A A E +BC 14 41A 1 12,-2.6 12,-2.2 -2,-0.3 2,-0.3 -0.995 2.9 175.9-147.3 138.3 134.8 30.8 5.5 30 30 A L E -BC 13 40A 29 -17,-2.1 -17,-2.8 -2,-0.3 2,-0.4 -0.993 13.5-150.6-142.8 151.3 133.3 29.6 8.7 31 31 A G E -BC 12 39A 0 8,-2.0 7,-2.0 -2,-0.3 8,-1.2 -0.950 8.1-160.8-124.5 140.3 132.7 26.2 10.3 32 32 A S E -BC 11 37A 19 -21,-2.9 -21,-2.2 -2,-0.4 2,-0.6 -0.928 14.7-151.5-120.6 142.0 130.0 25.1 12.8 33 33 A L E > S-BC 10 36A 0 3,-3.3 3,-1.8 -2,-0.4 -23,-0.2 -0.971 80.0 -45.7-106.8 112.2 129.8 22.2 15.1 34 34 A N T 3 S- 0 0 48 -25,-2.5 -23,-0.1 -2,-0.6 -26,-0.1 -0.478 125.6 -21.5 55.9-126.8 126.0 21.6 15.3 35 35 A D T 3 S+ 0 0 53 -2,-0.2 2,-0.4 146,-0.1 -1,-0.2 0.469 124.4 86.1 -87.3 -2.1 124.4 25.1 15.8 36 36 A L E < S-C 33 0A 1 -3,-1.8 -3,-3.3 204,-0.0 2,-0.5 -0.845 72.2-133.9-109.0 136.4 127.6 26.7 17.2 37 37 A Q E +C 32 0A 57 -2,-0.4 -5,-0.3 -5,-0.3 17,-0.3 -0.743 20.8 178.6 -91.1 128.5 130.4 28.2 15.1 38 38 A F E + 0 0 1 -7,-2.0 13,-2.7 -2,-0.5 2,-0.3 0.619 61.2 11.6-104.9 -17.2 134.0 27.2 16.1 39 39 A F E -CD 31 50A 3 -8,-1.2 -8,-2.0 11,-0.3 2,-0.3 -0.989 51.3-165.5-160.1 151.2 136.2 29.1 13.6 40 40 A R E -CD 30 49A 67 9,-2.3 9,-2.2 -2,-0.3 2,-0.3 -0.934 5.3-176.3-133.3 161.1 136.3 31.8 10.9 41 41 A Y E -C 29 0A 0 -12,-2.2 -12,-2.6 -2,-0.3 2,-0.3 -0.940 4.5-175.6-155.4 133.8 138.8 32.7 8.2 42 42 A N E > -C 28 0A 10 5,-0.4 4,-1.6 -2,-0.3 5,-0.3 -0.877 35.2-119.1-130.1 166.6 138.8 35.6 5.7 43 43 A S T 4 S+ 0 0 18 -16,-2.4 -15,-0.1 -2,-0.3 -1,-0.1 0.706 109.2 53.7 -77.3 -22.7 141.0 36.7 2.8 44 44 A K T 4 S+ 0 0 98 -17,-0.4 -1,-0.1 1,-0.1 -20,-0.0 0.980 119.3 28.9 -70.6 -76.7 141.8 40.1 4.4 45 45 A D T 4 S- 0 0 57 1,-0.1 -2,-0.2 2,-0.1 -1,-0.1 0.808 90.0-159.2 -50.4 -37.7 143.2 38.9 7.8 46 46 A R < + 0 0 99 -4,-1.6 2,-0.4 1,-0.2 -3,-0.1 0.719 50.2 114.9 62.0 27.0 144.3 35.7 6.0 47 47 A K - 0 0 124 -5,-0.3 2,-0.7 23,-0.1 -5,-0.4 -0.987 66.8-129.1-132.9 132.0 144.4 33.9 9.4 48 48 A S - 0 0 5 -2,-0.4 -7,-0.2 15,-0.4 19,-0.2 -0.722 34.5-179.4 -79.4 115.9 142.4 31.0 10.8 49 49 A Q E -D 40 0A 62 -9,-2.2 -9,-2.3 -2,-0.7 2,-0.1 -0.950 25.3-124.2-118.8 137.9 141.0 32.0 14.2 50 50 A P E -D 39 0A 33 0, 0.0 -11,-0.3 0, 0.0 2,-0.3 -0.391 30.2-150.0 -69.1 156.7 138.8 30.0 16.6 51 51 A M > - 0 0 13 -13,-2.7 3,-1.5 -2,-0.1 4,-0.0 -0.878 42.7 -13.7-126.6 160.9 135.5 31.5 17.7 52 52 A G G > S- 0 0 4 -2,-0.3 3,-2.0 1,-0.3 186,-0.3 -0.097 125.2 -2.3 58.4-142.4 133.2 31.4 20.7 53 53 A L G > S+ 0 0 39 184,-0.9 3,-0.9 1,-0.3 -1,-0.3 0.681 123.8 74.0 -55.5 -18.7 133.6 28.8 23.4 54 54 A W G < S+ 0 0 7 -3,-1.5 -1,-0.3 -17,-0.3 -2,-0.2 0.387 71.8 82.4 -83.4 3.6 136.4 27.3 21.4 55 55 A R G < S+ 0 0 154 -3,-2.0 -1,-0.2 1,-0.2 -2,-0.1 0.842 93.8 47.2 -71.2 -33.8 138.9 30.1 22.2 56 56 A Q S < S+ 0 0 118 -3,-0.9 2,-0.6 -4,-0.3 -1,-0.2 0.520 90.7 96.9 -84.5 -7.7 139.7 28.4 25.6 57 57 A V - 0 0 35 -4,-0.2 3,-0.3 -3,-0.2 2,-0.2 -0.757 61.2-160.3 -87.1 118.0 140.2 24.9 24.0 58 58 A E + 0 0 160 -2,-0.6 -2,-0.1 1,-0.2 -3,-0.0 -0.650 61.8 10.2 -93.3 153.9 143.8 24.2 23.3 59 59 A G S S+ 0 0 61 -2,-0.2 -1,-0.2 2,-0.2 3,-0.1 0.716 82.8 115.3 55.8 30.7 145.3 21.6 20.9 60 60 A M S S+ 0 0 6 1,-0.4 2,-0.3 -3,-0.3 -1,-0.1 0.785 88.0 9.2 -86.3 -38.4 142.1 20.7 19.1 61 61 A E S S- 0 0 42 112,-0.0 2,-1.3 4,-0.0 -1,-0.4 -0.999 70.8-122.6-145.8 139.4 143.5 22.1 15.8 62 62 A D > - 0 0 83 -2,-0.3 4,-2.4 1,-0.2 5,-0.1 -0.712 31.2-172.0 -78.7 95.6 146.8 23.4 14.5 63 63 A W H > S+ 0 0 55 -2,-1.3 4,-2.2 1,-0.2 -15,-0.4 0.845 80.5 54.7 -65.6 -36.1 145.5 26.8 13.5 64 64 A K H > S+ 0 0 171 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.935 111.8 45.1 -58.0 -49.0 148.7 27.8 11.8 65 65 A Q H > S+ 0 0 133 1,-0.2 4,-1.3 2,-0.2 3,-0.5 0.895 110.1 54.8 -60.9 -43.8 148.5 24.7 9.7 66 66 A D H X S+ 0 0 14 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.894 99.6 60.6 -60.1 -43.0 144.8 25.2 9.0 67 67 A S H X S+ 0 0 20 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.865 101.8 57.0 -48.4 -42.9 145.5 28.7 7.6 68 68 A Q H X S+ 0 0 145 -4,-1.0 4,-1.9 -3,-0.5 -1,-0.2 0.959 111.7 36.3 -53.9 -62.0 147.7 27.1 5.0 69 69 A L H X S+ 0 0 63 -4,-1.3 4,-2.2 1,-0.2 -1,-0.2 0.756 112.5 60.1 -74.8 -22.6 145.1 24.8 3.5 70 70 A Q H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.939 105.5 49.7 -61.3 -47.2 142.3 27.3 3.9 71 71 A K H X S+ 0 0 66 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.936 107.9 54.0 -54.0 -49.7 144.4 29.6 1.7 72 72 A A H X S+ 0 0 52 -4,-1.9 4,-1.5 1,-0.2 -1,-0.2 0.916 110.6 45.8 -49.5 -50.0 144.7 26.7 -0.8 73 73 A R H X S+ 0 0 60 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.881 106.5 59.1 -64.4 -41.5 140.9 26.4 -0.9 74 74 A E H X S+ 0 0 19 -4,-2.7 4,-2.5 1,-0.2 5,-0.3 0.892 104.2 52.6 -52.6 -44.4 140.4 30.1 -1.2 75 75 A D H X S+ 0 0 83 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.957 112.4 42.0 -57.0 -54.8 142.5 30.0 -4.5 76 76 A I H X S+ 0 0 97 -4,-1.5 4,-1.2 1,-0.2 -1,-0.2 0.808 114.9 54.0 -64.0 -32.8 140.4 27.2 -6.1 77 77 A F H X S+ 0 0 11 -4,-2.5 4,-1.9 2,-0.2 3,-0.5 0.977 112.4 38.6 -66.8 -58.7 137.2 28.9 -4.8 78 78 A M H X S+ 0 0 44 -4,-2.5 4,-3.0 1,-0.2 5,-0.2 0.870 111.0 60.2 -62.4 -39.9 137.7 32.4 -6.3 79 79 A E H X S+ 0 0 87 -4,-2.2 4,-1.7 -5,-0.3 -1,-0.2 0.851 107.4 47.5 -54.5 -37.6 139.2 30.9 -9.5 80 80 A T H X S+ 0 0 5 -4,-1.2 4,-1.8 -3,-0.5 -2,-0.2 0.920 110.9 49.4 -68.5 -47.9 135.9 29.1 -10.0 81 81 A L H X S+ 0 0 2 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.856 109.2 53.8 -60.7 -38.4 133.8 32.3 -9.3 82 82 A K H X S+ 0 0 125 -4,-3.0 4,-3.3 1,-0.2 5,-0.3 0.958 106.9 51.9 -56.1 -51.7 136.0 34.2 -11.8 83 83 A D H X S+ 0 0 33 -4,-1.7 4,-1.3 1,-0.2 -2,-0.2 0.811 109.4 48.4 -59.8 -36.6 135.2 31.5 -14.4 84 84 A I H X S+ 0 0 1 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.939 115.6 44.4 -65.3 -48.6 131.5 31.8 -13.9 85 85 A V H <>S+ 0 0 8 -4,-2.1 5,-0.6 1,-0.2 -2,-0.2 0.904 112.8 50.6 -63.8 -46.4 131.6 35.6 -14.1 86 86 A E H ><5S+ 0 0 112 -4,-3.3 3,-0.7 1,-0.2 -1,-0.2 0.809 109.8 53.2 -58.5 -33.8 134.0 35.5 -17.1 87 87 A Y H 3<5S+ 0 0 101 -4,-1.3 -2,-0.2 -5,-0.3 -1,-0.2 0.844 109.3 46.0 -73.9 -36.4 131.6 33.1 -18.8 88 88 A Y T 3<5S- 0 0 84 -4,-1.7 -1,-0.2 -3,-0.1 -2,-0.2 0.250 104.6-130.1 -90.4 12.5 128.5 35.4 -18.3 89 89 A N T < 5S+ 0 0 146 -3,-0.7 2,-1.9 1,-0.2 3,-0.4 0.364 75.3 122.9 55.4 -5.0 130.6 38.4 -19.6 90 90 A D < + 0 0 65 -5,-0.6 -1,-0.2 1,-0.2 -4,-0.1 -0.290 22.7 149.0 -80.0 52.4 129.4 40.3 -16.5 91 91 A S + 0 0 82 -2,-1.9 2,-0.9 1,-0.2 -1,-0.2 0.863 67.4 53.5 -55.8 -40.0 133.0 40.9 -15.4 92 92 A N S S+ 0 0 132 -3,-0.4 2,-0.3 -7,-0.1 -1,-0.2 -0.814 90.0 92.4 -99.7 93.0 131.8 44.1 -13.8 93 93 A G S S- 0 0 14 -2,-0.9 2,-0.9 -3,-0.1 -74,-0.3 -0.876 78.2-101.8-177.4 145.0 129.0 43.1 -11.4 94 94 A S + 0 0 88 -2,-0.3 2,-0.3 -76,-0.2 -2,-0.1 -0.659 51.8 166.0 -82.0 105.4 128.5 42.1 -7.8 95 95 A H - 0 0 20 -2,-0.9 -77,-1.8 2,-0.0 2,-0.4 -0.886 24.6-142.6-122.6 153.2 128.0 38.3 -7.7 96 96 A V E -A 17 0A 54 -2,-0.3 24,-2.7 -79,-0.2 2,-0.5 -0.948 9.7-171.8-119.0 131.6 128.1 35.7 -5.0 97 97 A L E -AE 16 119A 1 -81,-1.7 -81,-2.6 -2,-0.4 2,-0.4 -0.989 15.2-176.2-115.1 119.8 129.5 32.2 -4.9 98 98 A Q E -AE 15 118A 52 20,-2.5 20,-3.2 -2,-0.5 2,-0.5 -0.952 7.1-162.2-118.5 137.4 128.6 30.3 -1.8 99 99 A G E -AE 14 117A 2 -85,-3.0 -85,-3.0 -2,-0.4 2,-0.5 -0.970 4.5-168.4-122.0 126.2 129.8 26.8 -0.9 100 100 A R E +AE 13 116A 89 16,-2.9 16,-3.2 -2,-0.5 2,-0.4 -0.961 15.4 166.2-112.3 128.5 128.4 24.4 1.7 101 101 A F E +AE 12 115A 9 -89,-1.9 -89,-2.8 -2,-0.5 2,-0.3 -0.998 14.6 127.4-141.9 131.4 130.3 21.3 2.6 102 102 A G E -AE 11 114A 0 12,-2.7 12,-2.9 -2,-0.4 2,-0.3 -0.941 33.6-148.0-179.7 157.8 129.8 19.0 5.6 103 103 A a E -AE 10 113A 1 -93,-1.5 -93,-2.9 -2,-0.3 2,-0.3 -0.882 14.0-158.3-129.3 164.0 129.2 15.6 7.2 104 104 A E E -AE 9 112A 39 8,-2.4 7,-2.3 -2,-0.3 8,-1.4 -0.998 4.6-149.2-145.1 149.1 127.3 14.3 10.2 105 105 A I E -AE 8 110A 4 -97,-2.5 -97,-2.3 -2,-0.3 2,-0.4 -0.907 3.8-164.3-117.7 145.4 127.4 11.3 12.5 106 106 A E E > S-AE 7 109A 74 3,-3.1 3,-2.0 -2,-0.4 -99,-0.3 -0.999 78.8 -10.6-128.3 128.0 124.5 9.6 14.4 107 107 A N T 3 S- 0 0 68 -101,-1.2 -100,-0.1 -2,-0.4 -1,-0.1 0.888 130.8 -53.1 46.0 48.0 125.2 7.2 17.2 108 108 A N T 3 S+ 0 0 119 -102,-0.7 2,-0.4 1,-0.2 -1,-0.3 0.402 120.0 104.4 76.6 0.4 129.0 7.2 16.4 109 109 A R E < S-E 106 0A 202 -3,-2.0 -3,-3.1 1,-0.0 -1,-0.2 -0.903 81.6-101.4-118.6 141.5 128.3 6.2 12.7 110 110 A S E +E 105 0A 72 -2,-0.4 -5,-0.2 -5,-0.2 3,-0.1 -0.380 44.6 166.1 -54.5 127.3 128.4 8.3 9.5 111 111 A S E - 0 0 60 -7,-2.3 2,-0.3 1,-0.4 -6,-0.2 0.541 55.7 -4.0-124.4 -18.7 124.7 9.1 8.7 112 112 A G E -E 104 0A 33 -8,-1.4 -8,-2.4 2,-0.0 -1,-0.4 -0.973 49.0-170.9-171.9 160.2 125.0 11.8 6.0 113 113 A A E -E 103 0A 35 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.983 5.6-171.8-157.1 152.2 127.2 14.1 3.9 114 114 A F E +E 102 0A 75 -12,-2.9 -12,-2.7 -2,-0.3 2,-0.3 -0.999 12.2 178.6-150.7 147.9 126.8 17.1 1.5 115 115 A W E +E 101 0A 45 12,-0.3 12,-2.6 -2,-0.3 2,-0.3 -0.848 25.3 155.1-152.3 108.6 128.8 19.2 -0.8 116 116 A K E -EF 100 126A 39 -16,-3.2 -16,-2.9 -2,-0.3 2,-0.4 -0.986 26.6-152.9-144.3 144.3 127.0 22.0 -2.8 117 117 A Y E -EF 99 125A 34 8,-2.9 7,-2.5 -2,-0.3 8,-1.1 -0.944 9.3-161.3-120.7 144.5 127.7 25.3 -4.5 118 118 A Y E -EF 98 123A 56 -20,-3.2 -20,-2.5 -2,-0.4 2,-0.5 -0.965 4.4-157.9-124.6 139.7 125.4 28.2 -5.1 119 119 A Y E > S-EF 97 122A 7 3,-3.0 3,-2.3 -2,-0.4 -22,-0.2 -0.969 79.9 -22.6-120.4 120.5 125.7 31.1 -7.6 120 120 A D T 3 S- 0 0 61 -24,-2.7 -1,-0.1 -2,-0.5 -23,-0.1 0.858 128.2 -52.5 47.8 40.3 123.7 34.3 -6.8 121 121 A G T 3 S+ 0 0 69 1,-0.3 -1,-0.3 -25,-0.2 2,-0.2 0.099 118.0 113.6 88.6 -22.0 121.4 32.2 -4.7 122 122 A K E < S-F 119 0A 110 -3,-2.3 -3,-3.0 1,-0.1 -1,-0.3 -0.489 79.7 -94.4 -86.7 152.9 120.8 29.7 -7.5 123 123 A D E +F 118 0A 63 -5,-0.2 -5,-0.2 1,-0.2 -1,-0.1 -0.468 48.6 167.6 -62.5 125.5 121.9 26.0 -7.5 124 124 A Y E - 0 0 4 -7,-2.5 13,-2.5 1,-0.4 14,-0.8 0.839 54.5 -17.1-106.1 -62.1 125.2 25.9 -9.3 125 125 A I E -FG 117 136A 0 -8,-1.1 -8,-2.9 11,-0.2 -1,-0.4 -0.971 54.6-167.5-149.6 158.5 126.9 22.5 -8.8 126 126 A E E -FG 116 135A 63 9,-0.8 9,-2.5 -2,-0.3 2,-0.6 -0.993 21.7-122.8-154.8 138.7 126.6 19.5 -6.5 127 127 A F E - G 0 134A 15 -12,-2.6 2,-0.8 -2,-0.3 -12,-0.3 -0.750 15.9-166.4 -88.5 120.0 128.5 16.3 -5.5 128 128 A N E > > - G 0 133A 62 5,-3.0 5,-1.8 -2,-0.6 3,-0.7 -0.892 2.9-171.8-101.1 101.5 126.7 13.0 -5.9 129 129 A K T 3 5S+ 0 0 53 -2,-0.8 -1,-0.1 1,-0.2 5,-0.1 0.537 75.5 71.4 -74.6 -7.5 129.0 10.6 -4.0 130 130 A E T 3 5S+ 0 0 139 1,-0.1 -1,-0.2 3,-0.1 -3,-0.0 0.912 115.8 18.0 -71.2 -43.4 127.0 7.6 -5.2 131 131 A I T < 5S- 0 0 110 -3,-0.7 -2,-0.2 2,-0.2 -1,-0.1 0.936 108.4-125.1 -61.6 -57.2 128.2 7.8 -8.8 132 132 A P T 5 + 0 0 26 0, 0.0 2,-0.3 0, 0.0 -3,-0.2 0.715 63.7 111.6 -85.4 155.0 130.5 9.5 -7.9 133 133 A A E < -G 128 0A 10 -5,-1.8 -5,-3.0 22,-0.1 2,-0.3 -0.971 63.3 -97.4-169.1 165.4 130.3 12.7 -10.0 134 134 A W E -G 127 0A 11 -2,-0.3 -7,-0.2 -7,-0.2 21,-0.0 -0.726 32.8-144.9 -92.4 150.8 129.6 16.4 -10.0 135 135 A V E -G 126 0A 42 -9,-2.5 -9,-0.8 -2,-0.3 2,-0.1 -0.932 8.0-148.2-125.4 105.4 126.1 17.5 -11.0 136 136 A P E +G 125 0A 36 0, 0.0 -11,-0.2 0, 0.0 -12,-0.1 -0.466 21.5 172.6 -73.7 142.8 125.7 20.8 -12.9 137 137 A F + 0 0 97 -13,-2.5 -12,-0.2 1,-0.2 -14,-0.1 0.306 69.0 54.6-125.1 -2.0 122.5 22.8 -12.4 138 138 A D S > S- 0 0 12 -14,-0.8 3,-1.1 1,-0.1 4,-0.4 -0.991 85.1-121.3-137.4 138.1 123.6 25.9 -14.4 139 139 A P T > S+ 0 0 80 0, 0.0 3,-1.5 0, 0.0 4,-0.3 0.873 115.8 53.4 -46.8 -43.2 124.9 26.1 -18.0 140 140 A A T >> S+ 0 0 1 1,-0.3 3,-2.0 2,-0.2 4,-0.8 0.848 93.9 71.4 -59.3 -36.6 128.2 27.6 -16.7 141 141 A A H <> S+ 0 0 0 -3,-1.1 4,-2.2 1,-0.3 -1,-0.3 0.580 79.7 76.7 -60.5 -11.9 128.6 24.6 -14.3 142 142 A Q H <> S+ 0 0 106 -3,-1.5 4,-1.1 -4,-0.4 -1,-0.3 0.853 94.3 49.7 -65.0 -35.7 129.4 22.4 -17.2 143 143 A I H <> S+ 0 0 66 -3,-2.0 4,-2.0 -4,-0.3 3,-0.4 0.937 111.0 46.7 -68.5 -50.5 132.9 23.9 -17.4 144 144 A T H X S+ 0 0 3 -4,-0.8 4,-3.2 1,-0.2 5,-0.3 0.911 107.6 58.9 -56.3 -45.3 133.6 23.4 -13.7 145 145 A K H X S+ 0 0 48 -4,-2.2 4,-0.6 1,-0.2 -1,-0.2 0.846 109.2 45.0 -50.1 -39.0 132.3 19.9 -14.1 146 146 A Q H < S+ 0 0 148 -4,-1.1 -1,-0.2 -3,-0.4 -2,-0.2 0.852 114.7 46.9 -77.3 -38.3 135.0 19.3 -16.7 147 147 A K H >< S+ 0 0 91 -4,-2.0 3,-1.4 1,-0.2 4,-0.3 0.936 113.3 46.7 -66.3 -50.3 137.8 21.0 -14.6 148 148 A W H 3< S+ 0 0 42 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.624 118.2 43.3 -72.5 -15.5 137.0 19.2 -11.4 149 149 A E T 3< S+ 0 0 48 -4,-0.6 -1,-0.3 -5,-0.3 -2,-0.2 0.115 75.6 120.7-113.3 17.5 136.8 15.8 -13.2 150 150 A A S < S+ 0 0 65 -3,-1.4 -2,-0.1 2,-0.1 -1,-0.1 0.918 80.1 36.3 -45.6 -58.0 139.9 16.4 -15.4 151 151 A E S >> S- 0 0 107 -4,-0.3 3,-1.1 -3,-0.1 4,-0.6 -0.829 85.5-131.3 -95.4 138.6 141.5 13.3 -13.9 152 152 A P T 34 S+ 0 0 104 0, 0.0 4,-0.5 0, 0.0 3,-0.3 0.722 105.3 66.3 -59.7 -21.4 139.3 10.3 -13.1 153 153 A V T >> S+ 0 0 63 1,-0.2 4,-1.5 2,-0.2 3,-1.4 0.855 85.1 69.6 -66.2 -39.3 141.0 10.2 -9.7 154 154 A Y H <> S+ 0 0 96 -3,-1.1 4,-2.2 1,-0.3 3,-0.3 0.846 96.0 52.2 -52.9 -42.2 139.6 13.5 -8.5 155 155 A V H 3X S+ 0 0 13 -4,-0.6 4,-1.3 -3,-0.3 -1,-0.3 0.772 107.5 54.0 -65.1 -27.0 136.1 12.2 -8.2 156 156 A Q H <> S+ 0 0 105 -3,-1.4 4,-1.4 -4,-0.5 -1,-0.2 0.810 108.9 47.3 -78.6 -31.7 137.4 9.4 -6.0 157 157 A R H X S+ 0 0 149 -4,-1.5 4,-2.9 -3,-0.3 -2,-0.2 0.865 107.3 56.3 -75.5 -40.1 139.1 11.8 -3.6 158 158 A A H X S+ 0 0 10 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.884 109.2 47.4 -57.9 -41.2 136.0 14.0 -3.4 159 159 A K H X S+ 0 0 51 -4,-1.3 4,-2.9 2,-0.2 -1,-0.2 0.900 112.7 49.8 -63.7 -42.6 134.1 10.9 -2.3 160 160 A A H X>S+ 0 0 42 -4,-1.4 4,-2.2 2,-0.2 5,-1.9 0.870 107.0 53.9 -66.0 -38.8 136.9 10.1 0.2 161 161 A Y H <>S+ 0 0 78 -4,-2.9 5,-2.4 3,-0.2 -1,-0.2 0.937 116.9 37.3 -63.0 -47.2 136.9 13.6 1.7 162 162 A L H <5S+ 0 0 4 -4,-1.7 -2,-0.2 3,-0.2 -1,-0.2 0.972 122.1 42.4 -64.8 -56.5 133.2 13.5 2.4 163 163 A E H <5S- 0 0 62 -4,-2.9 -2,-0.2 -5,-0.2 -3,-0.2 0.699 137.8 -2.0 -71.9 -22.1 132.9 9.8 3.4 164 164 A E T X5S+ 0 0 132 -4,-2.2 4,-2.2 -5,-0.2 5,-0.2 0.658 122.2 56.9-134.9 -53.0 136.1 9.6 5.5 165 165 A E H > S+ 0 0 6 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.832 111.6 58.0 -62.2 -29.5 133.9 12.3 9.8 168 168 A A H X S+ 0 0 55 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.924 109.2 43.9 -61.1 -46.2 137.5 11.7 11.0 169 169 A T H X S+ 0 0 32 -4,-1.4 4,-2.6 -5,-0.2 -1,-0.2 0.884 111.4 55.9 -64.4 -40.2 137.9 15.4 11.6 170 170 A L H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.971 108.7 44.7 -56.3 -58.6 134.5 15.5 13.3 171 171 A R H X S+ 0 0 87 -4,-2.7 4,-1.4 1,-0.2 -1,-0.2 0.879 111.4 54.5 -54.9 -43.6 135.3 12.8 15.8 172 172 A K H >X S+ 0 0 93 -4,-1.9 3,-0.7 1,-0.2 4,-0.7 0.945 112.1 43.2 -54.7 -51.1 138.7 14.4 16.5 173 173 A Y H >X S+ 0 0 3 -4,-2.6 4,-1.1 1,-0.2 3,-0.7 0.828 107.3 63.0 -62.8 -33.2 136.9 17.7 17.3 174 174 A L H 3X S+ 0 0 15 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.767 91.4 63.8 -65.8 -29.6 134.3 15.8 19.3 175 175 A K H << S+ 0 0 180 -4,-1.4 -1,-0.2 -3,-0.7 4,-0.2 0.861 114.3 33.9 -58.7 -36.5 136.9 14.6 21.8 176 176 A Y H << S+ 0 0 92 -3,-0.7 -2,-0.2 -4,-0.7 -1,-0.2 0.628 128.5 36.8 -92.7 -15.9 137.4 18.3 22.7 177 177 A S H X S+ 0 0 0 -4,-1.1 4,-2.7 2,-0.1 3,-0.3 0.504 81.3 95.1-121.4 -9.5 133.8 19.4 22.2 178 178 A K H X S+ 0 0 95 -4,-2.4 4,-2.2 1,-0.2 5,-0.1 0.920 88.7 53.0 -49.6 -50.0 131.4 16.7 23.3 179 179 A N H 4 S+ 0 0 116 -5,-0.2 4,-0.3 -4,-0.2 -1,-0.2 0.875 112.8 45.1 -53.3 -42.7 131.1 18.3 26.8 180 180 A I H >4 S+ 0 0 14 -3,-0.3 3,-1.7 1,-0.2 -2,-0.2 0.979 115.3 44.2 -65.2 -59.4 130.1 21.6 25.1 181 181 A L H 3< S+ 0 0 10 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.738 109.3 58.0 -62.7 -25.8 127.6 20.3 22.6 182 182 A D T 3< S+ 0 0 77 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.2 0.479 77.7 130.8 -86.1 -2.9 125.9 18.0 25.1 183 183 A R < - 0 0 43 -3,-1.7 2,-0.1 -4,-0.3 -3,-0.1 -0.092 39.9-166.0 -52.7 146.1 125.0 20.8 27.5 184 184 A Q + 0 0 92 82,-0.1 -1,-0.1 81,-0.0 -2,-0.0 -0.635 17.1 174.9-133.2 72.2 121.4 21.0 28.8 185 185 A D B -H 211 0B 58 26,-1.4 26,-1.7 -2,-0.1 81,-0.2 -0.717 23.5-136.5 -85.0 124.2 121.2 24.4 30.4 186 186 A P - 0 0 71 0, 0.0 2,-0.3 0, 0.0 -2,-0.0 -0.459 23.0-110.3 -76.9 152.0 117.8 25.4 31.7 187 187 A P - 0 0 8 0, 0.0 2,-0.5 0, 0.0 22,-0.2 -0.645 13.2-142.8 -85.8 138.2 116.4 28.9 31.0 188 188 A S E -I 208 0C 56 20,-2.0 20,-2.0 -2,-0.3 2,-0.4 -0.838 27.4-152.5 -85.5 135.0 115.9 31.6 33.6 189 189 A V E -I 207 0C 25 -2,-0.5 2,-0.4 18,-0.2 18,-0.2 -0.900 14.1-171.0-118.0 145.9 112.7 33.5 32.6 190 190 A V E -I 206 0C 59 16,-2.3 16,-2.7 -2,-0.4 2,-0.4 -0.997 10.7-149.7-138.6 127.5 111.7 37.1 33.3 191 191 A V E +I 205 0C 33 -2,-0.4 2,-0.3 14,-0.2 14,-0.2 -0.795 18.6 179.9 -97.1 140.4 108.3 38.8 32.8 192 192 A T E -I 204 0C 70 12,-2.3 12,-3.4 -2,-0.4 2,-0.3 -0.967 14.0-157.8-146.0 125.2 108.2 42.6 32.0 193 193 A S E -I 203 0C 54 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.743 15.0-178.8 -96.9 150.5 105.3 45.0 31.4 194 194 A H E -I 202 0C 130 8,-1.6 8,-2.6 -2,-0.3 2,-0.4 -0.991 13.4-151.1-150.7 143.7 105.7 48.3 29.5 195 195 A Q E -I 201 0C 111 -2,-0.3 6,-0.1 6,-0.2 5,-0.1 -0.971 1.4-158.9-122.6 126.8 103.4 51.1 28.5 196 196 A A > - 0 0 26 4,-0.5 3,-2.4 -2,-0.4 -2,-0.0 -0.877 31.6-116.6-101.5 140.8 103.7 53.4 25.5 197 197 A P T 3 S+ 0 0 148 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.824 110.6 17.1 -47.2 -55.8 101.8 56.8 25.8 198 198 A G T 3 S+ 0 0 84 2,-0.1 2,-0.3 -3,-0.0 -3,-0.0 -0.155 116.9 91.9-107.1 36.6 99.3 56.3 22.9 199 199 A E S < S- 0 0 98 -3,-2.4 -3,-0.4 1,-0.0 3,-0.1 -0.960 80.3-102.4-135.1 144.6 99.8 52.5 22.8 200 200 A K - 0 0 106 -2,-0.3 -4,-0.5 1,-0.1 2,-0.1 -0.170 53.9 -88.4 -53.8 156.1 98.2 49.4 24.4 201 201 A K E -IJ 195 250C 59 49,-1.0 49,-2.6 -6,-0.1 2,-0.4 -0.453 43.7-150.0 -69.4 144.2 100.2 47.8 27.2 202 202 A K E -IJ 194 249C 53 -8,-2.6 -8,-1.6 47,-0.2 2,-0.6 -0.978 6.1-155.3-125.9 129.1 102.7 45.2 26.2 203 203 A L E -IJ 193 248C 0 45,-2.7 45,-2.2 -2,-0.4 2,-0.5 -0.903 11.0-162.8-105.4 119.9 103.9 42.1 28.1 204 204 A K E -IJ 192 247C 86 -12,-3.4 -12,-2.3 -2,-0.6 2,-0.6 -0.869 5.0-164.8-104.9 129.5 107.3 40.7 27.3 205 205 A b E -IJ 191 246C 0 41,-2.5 41,-1.9 -2,-0.5 2,-0.5 -0.934 11.8-166.8-115.4 108.5 108.4 37.2 28.3 206 206 A L E -IJ 190 245C 40 -16,-2.7 -16,-2.3 -2,-0.6 2,-0.4 -0.833 9.5-169.7-102.0 125.3 112.2 36.7 28.1 207 207 A A E +IJ 189 244C 0 37,-3.5 37,-3.1 -2,-0.5 2,-0.3 -0.930 23.5 167.3-105.6 135.1 113.9 33.3 28.3 208 208 A Y E +IJ 188 243C 69 -20,-2.0 -20,-2.0 -2,-0.4 35,-0.2 -0.967 40.1 33.4-150.1 162.3 117.7 33.5 28.6 209 209 A D E S+ 0 0 70 33,-0.7 2,-0.2 -2,-0.3 34,-0.2 0.732 82.5 134.0 65.2 29.9 120.9 31.6 29.3 210 210 A F E - J 0 242C 1 32,-1.5 32,-2.9 -22,-0.1 -1,-0.2 -0.696 41.0-138.8-111.4 160.1 119.7 28.3 27.8 211 211 A Y B S+H 185 0B 5 -26,-1.7 -26,-1.4 -2,-0.2 2,-0.2 -0.886 70.9 42.2-163.8 139.1 121.0 25.6 25.4 212 212 A P S S- 0 0 37 0, 0.0 30,-0.1 0, 0.0 54,-0.1 0.498 79.1-128.8 -69.4-175.4 120.1 23.9 23.1 213 213 A G S S+ 0 0 21 -2,-0.2 2,-0.5 28,-0.1 21,-0.1 0.716 74.6 105.8 -81.5 -24.9 118.1 26.4 21.1 214 214 A K + 0 0 184 2,-0.0 51,-0.5 50,-0.0 2,-0.3 -0.443 50.0 152.4 -64.1 111.9 114.8 24.4 20.6 215 215 A I E -P 264 0D 15 -2,-0.5 2,-0.6 49,-0.1 49,-0.2 -0.999 41.7-143.5-148.5 138.6 112.3 26.1 22.9 216 216 A D E +P 263 0D 56 47,-2.9 47,-3.1 -2,-0.3 2,-0.4 -0.930 26.0 168.0-100.9 120.1 108.6 26.8 23.3 217 217 A V E +P 262 0D 9 -2,-0.6 2,-0.3 45,-0.2 45,-0.2 -0.967 12.9 147.5-132.0 114.9 107.7 30.2 24.8 218 218 A H E -P 261 0D 48 43,-2.0 43,-3.2 -2,-0.4 2,-0.2 -0.991 36.7-127.4-146.6 152.0 104.1 31.4 24.6 219 219 A W E -PQ 260 226D 0 7,-0.6 7,-1.6 -2,-0.3 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