==== 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 MEMBRANE PROTEIN 04-FEB-00 1EF1 . COMPND 2 MOLECULE: MOESIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.A.PEARSON,D.RECZEK,A.BRETSCHER,P.A.KARPLUS . 768 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37570.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 533 69.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 115 15.0 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 . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 0.9 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 . 63 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 78 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 251 32.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 0.9 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 4 0 2 0 2 1 1 2 4 0 2 2 4 0 0 0 0 0 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 9 0 2 6 0 7 1 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 . 0 0 0 2 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 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 4 A T 0 0 150 0, 0.0 2,-0.5 0, 0.0 17,-0.2 0.000 360.0 360.0 360.0 151.0 48.8 140.4 84.8 2 5 A I E -A 17 0A 40 15,-3.4 15,-2.7 70,-0.0 2,-0.2 -0.856 360.0-127.9-103.0 124.0 47.8 137.8 82.3 3 6 A S E -A 16 0A 56 -2,-0.5 70,-2.5 13,-0.2 2,-0.4 -0.492 31.9-176.6 -72.6 134.4 49.9 137.3 79.2 4 7 A V E -Ab 15 73A 1 11,-1.9 11,-3.2 68,-0.3 2,-0.5 -0.996 17.8-167.1-141.4 138.0 47.9 137.4 75.9 5 8 A R E -Ab 14 74A 75 68,-3.0 70,-3.0 -2,-0.4 2,-0.5 -0.988 7.1-169.8-125.1 124.9 48.7 137.0 72.3 6 9 A V E -Ab 13 75A 0 7,-2.9 7,-1.8 -2,-0.5 2,-0.5 -0.947 5.0-162.9-120.3 112.4 46.3 138.0 69.5 7 10 A T E -Ab 12 76A 55 68,-2.4 70,-2.6 -2,-0.5 5,-0.2 -0.845 5.3-173.3 -99.8 122.3 46.9 136.9 66.0 8 11 A T E > -A 11 0A 9 3,-2.5 3,-0.6 -2,-0.5 70,-0.1 -0.329 52.3 -83.3 -92.5-177.7 45.2 138.6 63.0 9 12 A X T 3 S+ 0 0 49 68,-0.2 3,-0.1 1,-0.2 69,-0.0 0.692 125.9 11.9 -66.7 -16.7 45.6 137.3 59.4 10 13 A D T 3 S+ 0 0 73 1,-0.2 2,-0.3 0, 0.0 -1,-0.2 0.120 121.7 53.3-147.6 28.0 48.9 139.2 59.0 11 14 A A E < -A 8 0A 42 -3,-0.6 -3,-2.5 2,-0.0 2,-0.4 -0.988 57.3-142.8-162.0 153.3 50.0 140.5 62.4 12 15 A E E -A 7 0A 108 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.987 15.9-167.3-123.7 133.9 50.7 139.4 66.0 13 16 A L E -A 6 0A 24 -7,-1.8 -7,-2.9 -2,-0.4 2,-0.5 -0.962 7.7-155.2-125.1 136.2 49.9 141.4 69.0 14 17 A E E +A 5 0A 110 -2,-0.4 2,-0.4 -9,-0.2 -9,-0.2 -0.957 19.0 175.9-112.5 127.3 51.1 140.9 72.6 15 18 A F E -A 4 0A 32 -11,-3.2 -11,-1.9 -2,-0.5 2,-0.5 -0.999 23.9-149.7-133.0 140.3 48.9 142.2 75.5 16 19 A A E -A 3 0A 67 -2,-0.4 2,-0.4 -13,-0.2 -13,-0.2 -0.928 27.6-172.5-107.7 122.9 49.2 142.0 79.3 17 20 A I E -A 2 0A 3 -15,-2.7 -15,-3.4 -2,-0.5 -2,-0.0 -0.934 23.6-119.1-122.5 144.7 45.7 142.1 80.9 18 21 A Q > - 0 0 99 -2,-0.4 3,-2.2 -17,-0.2 0, 0.0 -0.413 34.3-111.3 -72.2 155.1 44.4 142.3 84.4 19 22 A P T 3 S+ 0 0 82 0, 0.0 44,-0.4 0, 0.0 -1,-0.1 0.784 117.8 65.8 -57.8 -24.7 42.2 139.4 85.7 20 23 A N T 3 S+ 0 0 108 41,-0.1 -2,-0.0 42,-0.1 -3,-0.0 0.658 76.1 121.6 -70.7 -17.1 39.3 141.9 85.7 21 24 A T < - 0 0 5 -3,-2.2 41,-2.7 40,-0.1 42,-0.5 -0.186 48.5-154.5 -60.7 132.4 39.5 142.2 81.8 22 25 A T B >> -E 61 0B 38 39,-0.3 4,-1.8 40,-0.1 3,-1.1 -0.720 32.0-104.7-102.6 157.7 36.3 141.3 79.9 23 26 A G H 3> S+ 0 0 0 37,-2.6 4,-2.8 34,-0.5 3,-0.2 0.899 120.6 57.2 -48.9 -44.1 36.3 140.1 76.3 24 27 A K H 3> S+ 0 0 97 34,-2.4 4,-2.0 36,-0.3 -1,-0.3 0.815 105.6 49.1 -57.4 -36.5 35.0 143.5 75.2 25 28 A Q H <> S+ 0 0 75 -3,-1.1 4,-1.4 33,-0.3 -1,-0.2 0.860 112.4 47.8 -72.4 -38.8 38.0 145.3 76.7 26 29 A L H X S+ 0 0 0 -4,-1.8 4,-1.9 -3,-0.2 -2,-0.2 0.916 111.7 50.6 -66.8 -44.6 40.5 142.9 75.1 27 30 A F H X S+ 0 0 6 -4,-2.8 4,-2.8 1,-0.2 5,-0.3 0.915 107.7 53.6 -58.5 -46.3 38.7 143.3 71.7 28 31 A D H X S+ 0 0 60 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.865 106.3 51.9 -59.0 -38.5 38.9 147.1 72.0 29 32 A Q H X S+ 0 0 67 -4,-1.4 4,-3.1 2,-0.2 -1,-0.2 0.938 111.8 47.4 -64.9 -45.6 42.6 147.0 72.5 30 33 A V H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.935 115.4 41.7 -61.7 -52.3 43.1 144.9 69.4 31 34 A V H X>S+ 0 0 8 -4,-2.8 5,-2.5 2,-0.2 4,-0.8 0.913 116.6 51.8 -64.3 -34.0 41.0 146.9 67.1 32 35 A K H ><5S+ 0 0 166 -4,-2.2 3,-1.0 -5,-0.3 -2,-0.2 0.966 111.2 46.7 -63.0 -53.1 42.4 150.1 68.6 33 36 A T H 3<5S+ 0 0 82 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.896 115.7 43.3 -57.9 -49.0 46.0 148.9 68.0 34 37 A I H 3<5S- 0 0 32 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.508 111.3-117.2 -80.8 -2.3 45.5 147.7 64.4 35 38 A G T <<5 + 0 0 28 -3,-1.0 2,-0.5 -4,-0.8 59,-0.2 0.817 58.5 155.4 72.7 36.4 43.5 150.9 63.5 36 39 A L < + 0 0 6 -5,-2.5 -1,-0.2 -6,-0.2 3,-0.1 -0.850 20.2 166.7-103.4 122.5 40.3 149.1 62.7 37 40 A R + 0 0 179 -2,-0.5 2,-1.7 1,-0.1 3,-0.2 0.671 66.4 76.4-102.2 -26.0 36.9 150.9 62.9 38 41 A E > + 0 0 15 1,-0.2 3,-0.9 -7,-0.1 4,-0.2 -0.330 58.8 148.1 -86.2 63.0 34.6 148.4 61.0 39 42 A V G > + 0 0 39 -2,-1.7 3,-1.0 1,-0.2 -1,-0.2 0.553 41.7 84.9 -71.7 -21.3 34.6 146.2 64.1 40 43 A W G 3 S+ 0 0 98 1,-0.2 -1,-0.2 -3,-0.2 247,-0.1 0.648 88.4 54.7 -61.8 -17.4 31.1 144.6 63.8 41 44 A F G < S+ 0 0 0 -3,-0.9 39,-3.3 39,-0.1 40,-2.5 0.731 101.1 80.8 -84.3 -27.0 32.3 141.9 61.4 42 45 A F E < +C 79 0A 16 -3,-1.0 2,-0.3 37,-0.3 37,-0.2 -0.392 45.6 165.3 -92.8 163.4 35.0 140.7 63.8 43 46 A G E -C 78 0A 11 35,-2.4 35,-2.2 -2,-0.1 2,-0.5 -0.946 34.9-109.2-157.3 167.8 35.6 138.6 66.8 44 47 A L E -C 77 0A 1 12,-0.3 12,-2.8 -2,-0.3 2,-0.3 -0.962 31.9-164.1-108.8 125.7 38.2 136.8 68.9 45 48 A Q E +CD 76 55A 27 31,-3.0 31,-3.1 -2,-0.5 2,-0.3 -0.820 10.6 174.0-108.4 147.4 38.4 133.0 68.7 46 49 A Y E - D 0 54A 17 8,-2.2 8,-2.7 -2,-0.3 2,-0.5 -0.955 36.2-107.6-145.1 161.1 40.2 130.7 71.1 47 50 A Q E - D 0 53A 82 27,-0.5 21,-1.4 -2,-0.3 6,-0.2 -0.809 41.6-142.2 -87.2 126.5 40.6 127.0 71.8 48 51 A D B > -F 67 0C 10 4,-2.3 3,-2.4 -2,-0.5 19,-0.2 -0.418 30.2 -90.5 -86.5 173.8 38.7 126.1 74.9 49 52 A T T 3 S+ 0 0 81 17,-1.9 18,-0.1 1,-0.3 -1,-0.1 0.781 130.6 50.2 -48.4 -32.6 39.7 123.6 77.7 50 53 A K T 3 S- 0 0 139 16,-0.2 -1,-0.3 2,-0.1 -3,-0.0 0.638 124.5-105.6 -82.5 -18.0 37.9 120.8 75.7 51 54 A G S < S+ 0 0 32 -3,-2.4 2,-0.3 1,-0.3 -2,-0.2 0.559 72.2 141.6 103.3 12.4 39.7 121.8 72.5 52 55 A F - 0 0 84 1,-0.0 -4,-2.3 -5,-0.0 2,-0.4 -0.689 57.4-117.4 -92.0 138.0 36.8 123.6 70.7 53 56 A S E +D 47 0A 55 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.600 47.2 178.2 -69.8 125.8 37.2 126.8 68.6 54 57 A T E -D 46 0A 19 -8,-2.7 -8,-2.2 -2,-0.4 2,-0.5 -0.989 32.9-123.6-137.8 139.1 35.0 129.3 70.5 55 58 A W E -D 45 0A 31 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.738 35.9-118.9 -82.2 126.3 34.2 133.0 70.1 56 59 A L - 0 0 8 -12,-2.8 -12,-0.3 -2,-0.5 2,-0.2 -0.508 26.9-124.4 -63.8 121.6 35.1 134.9 73.3 57 60 A K - 0 0 98 -2,-0.3 -34,-0.5 1,-0.1 3,-0.5 -0.545 15.0-149.8 -68.3 133.9 31.9 136.5 74.7 58 61 A L S S+ 0 0 57 -35,-0.2 -34,-2.4 -2,-0.2 -33,-0.3 0.773 89.2 57.4 -81.8 -22.4 32.5 140.2 75.0 59 62 A N S S+ 0 0 126 -36,-0.2 2,-0.2 -37,-0.1 -1,-0.2 0.448 100.2 68.3 -86.8 -3.5 30.2 140.8 78.1 60 63 A K S S- 0 0 109 -3,-0.5 -37,-2.6 1,-0.0 -36,-0.3 -0.703 93.7 -92.4-111.8 163.7 32.0 138.3 80.4 61 64 A K B > -E 22 0B 27 -39,-0.3 3,-0.6 -2,-0.2 -39,-0.3 -0.526 30.2-128.2 -73.7 142.9 35.6 138.4 81.9 62 65 A V G > S+ 0 0 0 -41,-2.7 3,-1.9 1,-0.2 5,-0.4 0.963 110.4 51.5 -53.9 -50.2 38.3 136.6 79.8 63 66 A T G 3 S+ 0 0 69 -42,-0.5 -1,-0.2 -44,-0.4 -41,-0.1 0.702 101.8 61.0 -61.1 -24.5 39.4 134.5 82.8 64 67 A A G < S+ 0 0 78 -3,-0.6 2,-0.3 2,-0.1 -1,-0.3 0.424 92.2 81.9 -83.2 -3.3 35.7 133.4 83.5 65 68 A Q S < S- 0 0 22 -3,-1.9 2,-2.8 -4,-0.3 -9,-0.1 -0.737 100.7 -98.9-101.8 154.0 35.6 131.7 80.0 66 69 A D + 0 0 45 -2,-0.3 -17,-1.9 2,-0.1 -16,-0.2 -0.134 58.7 167.2 -71.1 50.3 37.0 128.3 79.4 67 70 A V B -F 48 0C 20 -2,-2.8 2,-1.0 -5,-0.4 -19,-0.2 -0.364 51.5 -98.3 -65.3 139.2 40.2 129.6 77.9 68 71 A R - 0 0 110 -21,-1.4 6,-0.2 6,-0.2 -1,-0.1 -0.504 44.8-121.6 -60.8 97.1 42.9 126.9 77.6 69 72 A K + 0 0 96 -2,-1.0 2,-0.3 4,-0.1 -1,-0.1 -0.271 69.7 107.4 -49.7 109.3 44.9 127.7 80.7 70 73 A E - 0 0 90 -67,-0.1 -67,-0.1 -2,-0.1 -3,-0.0 -0.919 66.7 -70.6-169.0-179.6 48.3 128.4 79.3 71 74 A S S S+ 0 0 93 -2,-0.3 2,-0.2 1,-0.1 -67,-0.1 -0.950 109.5 19.8-151.9 126.9 50.6 131.4 78.8 72 75 A P S S- 0 0 23 0, 0.0 2,-0.4 0, 0.0 -68,-0.3 0.603 92.7-124.7 -74.2 169.5 50.2 133.5 76.9 73 76 A L E -b 4 0A 12 -70,-2.5 -68,-3.0 -2,-0.2 2,-0.6 -0.716 28.9-137.1 -75.4 132.0 46.5 133.0 76.2 74 77 A L E +b 5 0A 80 -2,-0.4 -27,-0.5 -6,-0.2 2,-0.4 -0.857 27.9 172.7-102.4 119.5 46.2 132.6 72.4 75 78 A F E -b 6 0A 4 -70,-3.0 -68,-2.4 -2,-0.6 2,-0.5 -0.949 22.0-145.9-122.6 146.9 43.4 134.3 70.5 76 79 A K E -bC 7 45A 127 -31,-3.1 -31,-3.0 -2,-0.4 2,-0.7 -0.910 12.6-144.5-111.9 123.2 42.8 134.5 66.7 77 80 A F E + C 0 44A 3 -70,-2.6 2,-0.3 -2,-0.5 -68,-0.2 -0.825 39.2 154.2 -87.1 114.7 41.2 137.8 65.5 78 81 A R E - C 0 43A 56 -35,-2.2 -35,-2.4 -2,-0.7 2,-0.4 -0.919 50.2 -94.6-139.6 162.0 38.8 136.8 62.6 79 82 A A E + C 0 42A 3 -2,-0.3 -37,-0.3 -37,-0.2 3,-0.1 -0.673 31.6 178.8 -77.2 127.9 35.7 137.9 60.8 80 83 A K S S+ 0 0 37 -39,-3.3 2,-0.3 -2,-0.4 -38,-0.2 0.610 72.1 39.8 -97.8 -27.0 32.7 136.3 62.3 81 84 A F S S- 0 0 21 -40,-2.5 -1,-0.2 202,-0.1 118,-0.0 -0.925 73.2-147.3-125.9 148.6 30.3 138.1 59.9 82 85 A Y - 0 0 39 -2,-0.3 2,-0.0 117,-0.2 4,-0.0 -0.906 21.1-115.5-115.3 144.9 30.6 138.9 56.3 83 86 A P - 0 0 4 0, 0.0 3,-0.2 0, 0.0 136,-0.1 -0.325 19.4-127.7 -71.6 160.1 29.3 141.9 54.4 84 87 A E S S+ 0 0 15 1,-0.3 2,-0.4 135,-0.1 136,-0.0 0.852 99.5 17.4 -76.9 -28.6 26.6 141.4 51.7 85 88 A D > - 0 0 33 1,-0.1 4,-1.5 -3,-0.0 -1,-0.3 -0.989 66.3-156.6-145.5 123.8 28.7 143.3 49.3 86 89 A V H > S+ 0 0 0 -2,-0.4 4,-2.1 1,-0.2 -1,-0.1 0.886 91.2 58.6 -70.7 -38.1 32.4 144.1 49.7 87 90 A S H 4 S+ 0 0 67 1,-0.2 -1,-0.2 2,-0.2 99,-0.0 0.716 116.0 35.7 -68.9 -18.6 32.6 147.2 47.5 88 91 A E H 4 S+ 0 0 130 -3,-0.2 -1,-0.2 1,-0.0 -2,-0.2 0.729 125.3 35.8-105.5 -16.2 29.9 148.9 49.6 89 92 A E H < S+ 0 0 27 -4,-1.5 2,-0.9 1,-0.2 -2,-0.2 0.595 97.6 70.8-114.7 -13.0 30.8 147.7 53.1 90 93 A L < + 0 0 2 -4,-2.1 -1,-0.2 1,-0.2 6,-0.0 -0.851 52.3 159.2-108.2 94.1 34.5 147.4 53.5 91 94 A I + 0 0 126 -2,-0.9 -1,-0.2 -3,-0.1 2,-0.1 0.850 48.1 70.9 -84.0 -37.3 35.7 151.0 53.5 92 95 A Q S > S- 0 0 31 1,-0.1 4,-1.5 4,-0.0 5,-0.1 -0.409 74.2-130.7 -85.2 161.1 39.1 150.7 55.2 93 96 A D H > S+ 0 0 91 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.849 110.2 50.3 -71.3 -44.2 42.3 149.2 53.9 94 97 A I H > S+ 0 0 21 -59,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.890 110.4 51.2 -63.9 -36.5 42.9 147.1 57.0 95 98 A T H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.897 112.2 45.3 -68.5 -42.6 39.3 145.7 56.8 96 99 A Q H X S+ 0 0 25 -4,-1.5 4,-2.6 2,-0.2 -1,-0.2 0.923 113.2 50.0 -66.4 -45.0 39.7 144.7 53.1 97 100 A R H X S+ 0 0 93 -4,-2.2 4,-3.1 2,-0.2 5,-0.2 0.955 111.1 49.0 -58.8 -48.3 43.1 143.2 53.7 98 101 A L H X S+ 0 0 3 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.886 114.3 44.2 -60.2 -46.9 41.8 141.2 56.7 99 102 A F H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.887 114.1 52.0 -63.1 -41.8 38.7 139.8 54.8 100 103 A F H X S+ 0 0 7 -4,-2.6 4,-3.1 2,-0.2 5,-0.2 0.938 110.4 46.2 -61.9 -47.8 40.9 139.1 51.8 101 104 A L H X S+ 0 0 31 -4,-3.1 4,-2.0 1,-0.2 -1,-0.2 0.902 116.1 46.1 -66.1 -38.0 43.5 137.1 53.7 102 105 A Q H X S+ 0 0 10 -4,-2.0 4,-1.6 -5,-0.2 -1,-0.2 0.897 115.8 44.4 -70.1 -40.8 40.8 135.1 55.5 103 106 A V H X S+ 0 0 1 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.941 112.6 52.1 -68.6 -44.4 38.8 134.4 52.4 104 107 A K H X S+ 0 0 50 -4,-3.1 4,-3.3 1,-0.2 5,-0.2 0.914 107.0 54.8 -58.3 -39.8 42.0 133.6 50.4 105 108 A E H X S+ 0 0 70 -4,-2.0 4,-1.8 -5,-0.2 -1,-0.2 0.891 108.5 47.4 -61.3 -43.7 42.9 131.1 53.2 106 109 A G H <>S+ 0 0 8 -4,-1.6 5,-2.2 2,-0.2 6,-1.5 0.866 113.4 48.5 -66.9 -38.0 39.5 129.3 52.9 107 110 A I H ><5S+ 0 0 3 -4,-2.4 3,-1.6 3,-0.2 -2,-0.2 0.977 112.4 48.1 -65.9 -46.5 39.9 129.2 49.1 108 111 A L H 3<5S+ 0 0 14 -4,-3.3 44,-0.5 1,-0.3 -2,-0.2 0.792 114.6 45.5 -64.6 -32.3 43.4 127.8 49.3 109 112 A N T 3<5S- 0 0 89 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.310 112.9-116.8 -92.3 2.8 42.4 125.2 51.8 110 113 A D T < 5S+ 0 0 56 -3,-1.6 -3,-0.2 -4,-0.2 3,-0.2 0.720 79.2 125.7 68.2 24.1 39.3 124.2 49.9 111 114 A D S - 0 0 5 0, 0.0 4,-2.6 0, 0.0 5,-0.1 -0.150 31.5-107.2 -63.4 162.0 36.4 126.2 40.2 116 119 A P H > S+ 0 0 4 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.883 114.8 50.3 -58.0 -47.0 39.8 126.1 38.4 117 120 A E H > S+ 0 0 46 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.944 116.0 42.9 -59.7 -48.3 39.5 129.1 36.1 118 121 A T H > S+ 0 0 18 2,-0.2 4,-3.4 1,-0.2 5,-0.2 0.898 110.1 57.2 -62.6 -40.1 38.3 131.3 38.9 119 122 A A H X S+ 0 0 3 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.900 109.8 45.5 -61.5 -38.2 41.0 129.9 41.2 120 123 A V H X S+ 0 0 2 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.893 112.8 49.1 -72.3 -37.7 43.7 130.9 38.7 121 124 A L H X S+ 0 0 0 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.931 112.5 49.0 -68.8 -38.6 42.2 134.4 38.2 122 125 A L H X S+ 0 0 2 -4,-3.4 4,-2.7 1,-0.2 3,-0.3 0.952 108.5 53.4 -63.2 -45.3 42.0 134.8 41.9 123 126 A A H X S+ 0 0 5 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.900 106.9 52.8 -54.4 -44.1 45.7 133.7 42.3 124 127 A S H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.862 109.9 46.8 -63.8 -35.0 46.8 136.3 39.7 125 128 A Y H X S+ 0 0 7 -4,-1.7 4,-2.5 -3,-0.3 -2,-0.2 0.936 110.7 52.6 -71.4 -42.7 45.0 139.1 41.7 126 129 A A H X S+ 0 0 17 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.849 110.0 50.0 -58.5 -36.0 46.6 137.8 44.9 127 130 A V H X S+ 0 0 1 -4,-2.2 4,-3.3 -5,-0.2 5,-0.5 0.958 109.1 49.6 -66.7 -50.0 50.0 138.0 43.1 128 131 A Q H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.868 112.2 50.4 -58.4 -36.8 49.4 141.6 41.9 129 132 A S H < S+ 0 0 22 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.901 117.0 38.6 -68.1 -42.3 48.4 142.5 45.5 130 133 A K H < S+ 0 0 119 -4,-1.9 -2,-0.2 -5,-0.2 -3,-0.2 0.934 131.5 24.4 -75.3 -44.3 51.6 140.9 47.0 131 134 A Y H < S- 0 0 45 -4,-3.3 -3,-0.2 1,-0.2 -2,-0.2 0.628 89.6-145.2 -99.6 -12.8 54.1 141.9 44.3 132 135 A G < + 0 0 5 -4,-2.0 -1,-0.2 -5,-0.5 -2,-0.1 -0.393 66.7 3.4 74.2-163.9 52.6 145.0 42.7 133 136 A D S S- 0 0 64 1,-0.1 41,-0.1 -4,-0.1 44,-0.1 -0.197 87.8-102.8 -55.4 135.7 53.4 145.3 38.9 134 137 A F - 0 0 17 39,-0.3 2,-0.4 36,-0.1 -1,-0.1 -0.345 40.6-168.5 -58.1 135.5 55.3 142.5 37.3 135 138 A N >> - 0 0 72 -3,-0.1 4,-3.2 1,-0.1 3,-1.1 -0.953 20.0-150.7-136.1 111.6 58.9 143.7 36.8 136 139 A K T 34 S+ 0 0 66 -2,-0.4 -1,-0.1 1,-0.2 -2,-0.0 0.647 96.9 55.7 -50.8 -24.5 61.2 141.5 34.6 137 140 A E T 34 S+ 0 0 140 3,-0.1 -1,-0.2 1,-0.1 3,-0.2 0.780 120.5 23.7 -79.7 -37.1 64.1 142.7 36.7 138 141 A V T <4 S+ 0 0 93 -3,-1.1 2,-1.7 1,-0.2 -2,-0.2 0.816 114.6 64.2 -98.0 -43.7 62.9 141.6 40.1 139 142 A H S < S+ 0 0 22 -4,-3.2 -1,-0.2 -8,-0.0 3,-0.1 -0.465 72.1 161.5 -90.9 73.4 60.4 138.9 39.3 140 143 A K > - 0 0 114 -2,-1.7 3,-2.0 1,-0.2 -3,-0.1 -0.166 54.7 -51.2 -82.9 174.4 62.8 136.3 37.8 141 144 A S T 3 S+ 0 0 128 1,-0.3 -1,-0.2 2,-0.1 26,-0.0 -0.172 130.3 24.7 -49.2 127.2 62.1 132.7 37.3 142 145 A G T > S+ 0 0 36 -3,-0.1 3,-1.7 21,-0.1 -1,-0.3 0.489 74.8 129.2 94.1 2.5 60.9 131.3 40.6 143 146 A Y T < S+ 0 0 37 -3,-2.0 3,-0.3 1,-0.3 -2,-0.1 0.757 81.0 44.8 -62.2 -21.5 59.5 134.5 42.2 144 147 A L T > S+ 0 0 0 1,-0.2 3,-1.1 2,-0.1 -1,-0.3 0.246 82.0 107.9-104.9 15.5 56.3 132.6 43.0 145 148 A A T < S+ 0 0 45 -3,-1.7 -1,-0.2 1,-0.2 -2,-0.1 0.792 81.2 42.2 -66.1 -30.1 58.0 129.5 44.3 146 149 A G T 3 S+ 0 0 81 -3,-0.3 2,-0.3 -4,-0.3 -1,-0.2 0.377 95.3 102.5 -94.8 -0.1 57.2 130.0 48.0 147 150 A D < - 0 0 36 -3,-1.1 2,-1.0 1,-0.0 3,-0.2 -0.650 68.4-136.4 -87.6 144.6 53.5 131.1 47.4 148 151 A K + 0 0 103 -2,-0.3 -40,-0.1 1,-0.2 -3,-0.1 -0.858 40.2 160.6 -95.9 96.1 50.4 129.0 48.0 149 152 A L + 0 0 26 -2,-1.0 -1,-0.2 1,-0.2 -23,-0.1 0.784 52.6 27.6 -92.0 -27.7 48.7 130.1 44.8 150 153 A L S S- 0 0 6 -3,-0.2 -1,-0.2 -42,-0.1 -42,-0.1 -0.958 80.8 -99.1-141.0 153.4 46.1 127.3 44.3 151 154 A P >> - 0 0 1 0, 0.0 4,-1.5 0, 0.0 3,-0.7 -0.388 40.4-117.5 -66.9 147.0 44.0 124.8 46.1 152 155 A Q H 3> S+ 0 0 104 -44,-0.5 4,-2.4 1,-0.2 5,-0.2 0.859 113.3 63.3 -48.8 -43.0 45.6 121.3 46.1 153 156 A R H 3> S+ 0 0 14 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.864 103.1 47.8 -52.0 -45.4 42.5 120.0 44.1 154 157 A V H <> S+ 0 0 0 -3,-0.7 4,-0.7 2,-0.2 3,-0.2 0.896 110.9 51.4 -65.1 -39.3 43.3 122.3 41.1 155 158 A L H >< S+ 0 0 57 -4,-1.5 3,-0.6 1,-0.2 5,-0.4 0.897 109.7 50.8 -63.9 -40.5 47.0 121.2 41.2 156 159 A E H 3< S+ 0 0 116 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.747 107.8 52.7 -71.7 -25.1 45.9 117.5 41.1 157 160 A Q H 3< S+ 0 0 4 -4,-1.1 185,-3.0 -3,-0.2 2,-0.4 0.533 99.8 67.2 -87.8 -14.6 43.6 117.9 38.2 158 161 A H B << S-G 341 0D 10 -4,-0.7 2,-2.2 -3,-0.6 183,-0.3 -0.949 78.3-130.6-114.2 139.7 46.0 119.6 35.7 159 162 A K + 0 0 145 181,-3.6 2,-0.4 -2,-0.4 -3,-0.1 -0.437 68.9 117.5 -84.0 65.8 49.0 118.0 34.2 160 163 A L - 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0 0 18 -185,-3.5 3,-1.8 -2,-0.3 -1,-0.1 -0.803 12.0-162.5 -89.7 100.1 14.9 114.4 33.2 729 535 D E T 3 S+ 0 0 104 -2,-1.0 -1,-0.1 1,-0.3 3,-0.1 0.492 83.3 65.9 -66.5 -1.7 18.6 115.1 32.6 730 536 D S T 3 S+ 0 0 47 1,-0.2 2,-0.5 -187,-0.1 -1,-0.3 0.257 89.1 70.3-101.0 7.0 18.4 118.3 34.7 731 537 D K < + 0 0 102 -3,-1.8 2,-0.4 -188,-0.2 -1,-0.2 -0.881 63.8 144.7-121.8 78.5 17.6 116.4 37.9 732 538 D K - 0 0 61 -2,-0.5 2,-0.2 -3,-0.1 -3,-0.0 -0.999 36.6-147.5-117.3 132.1 20.9 114.7 38.6 733 539 D T > - 0 0 28 -2,-0.4 4,-2.0 1,-0.1 5,-0.2 -0.513 31.2-105.2 -90.5 166.9 22.0 114.2 42.2 734 540 D A H > S+ 0 0 4 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.911 124.1 51.0 -56.7 -44.9 25.7 114.3 43.2 735 541 D N H > S+ 0 0 16 1,-0.2 4,-3.2 2,-0.2 -1,-0.2 0.891 105.7 56.1 -61.9 -40.5 25.7 110.5 43.6 736 542 D D H > S+ 0 0 12 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.934 111.2 44.0 -55.6 -44.4 24.2 110.1 40.1 737 543 D X H X S+ 0 0 23 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.877 113.4 49.2 -70.3 -35.3 27.1 112.1 38.7 738 544 D I H X S+ 0 0 2 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.965 113.6 48.5 -65.2 -47.4 29.7 110.2 40.7 739 545 D H H X S+ 0 0 18 -4,-3.2 4,-2.2 1,-0.2 -2,-0.2 0.896 110.8 48.2 -59.5 -45.4 28.2 107.0 39.6 740 546 D A H X S+ 0 0 56 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.876 113.1 48.8 -64.0 -39.2 28.0 107.9 35.8 741 547 D E H X S+ 0 0 20 -4,-1.7 4,-1.9 -5,-0.2 -2,-0.2 0.905 108.5 53.6 -67.6 -37.3 31.7 109.1 36.0 742 548 D N H <>S+ 0 0 3 -4,-2.5 5,-2.6 1,-0.2 -2,-0.2 0.902 112.4 45.2 -62.9 -40.3 32.6 105.8 37.7 743 549 D X H ><5S+ 0 0 117 -4,-2.2 3,-1.3 1,-0.2 -2,-0.2 0.888 109.0 55.4 -72.3 -39.3 30.9 103.9 34.8 744 550 D R H 3<5S+ 0 0 139 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.868 111.4 44.5 -60.6 -36.5 32.6 106.1 32.2 745 551 D L T 3<5S- 0 0 59 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.365 117.5-111.6 -87.5 1.4 36.0 105.2 33.7 746 552 D G T < 5 + 0 0 50 -3,-1.3 2,-0.2 1,-0.2 -3,-0.2 0.776 60.4 157.4 74.9 34.1 35.2 101.5 34.0 747 553 D R < + 0 0 80 -5,-2.6 2,-0.3 -6,-0.1 -1,-0.2 -0.609 15.9 173.1 -93.4 147.0 35.1 101.2 37.8 748 554 D D > - 0 0 40 -2,-0.2 4,-2.4 1,-0.0 5,-0.2 -0.906 46.5 -98.0-143.0 164.5 33.4 98.6 40.0 749 555 D K H > S+ 0 0 29 -169,-0.4 4,-1.8 -2,-0.3 5,-0.1 0.879 120.2 41.1 -49.8 -48.8 33.4 97.9 43.7 750 556 D Y H > S+ 0 0 2 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.919 112.9 51.5 -74.5 -40.2 36.1 95.1 43.6 751 557 D K H > S+ 0 0 123 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.900 112.7 48.2 -64.0 -40.3 38.4 96.7 41.1 752 558 D T H X S+ 0 0 12 -4,-2.4 4,-2.9 2,-0.2 -1,-0.2 0.904 108.9 52.2 -66.1 -42.2 38.4 99.9 43.3 753 559 D L H X S+ 0 0 9 -4,-1.8 4,-0.7 -5,-0.2 -2,-0.2 0.927 111.6 48.5 -57.0 -44.6 39.1 97.9 46.5 754 560 D R H >< S+ 0 0 97 -4,-2.2 3,-0.8 -54,-0.2 -2,-0.2 0.938 114.5 45.6 -60.8 -50.7 42.0 96.3 44.7 755 561 D Q H >< S+ 0 0 123 -4,-2.3 3,-1.1 1,-0.2 -2,-0.2 0.862 110.1 51.2 -63.4 -43.0 43.3 99.7 43.5 756 562 D I H 3< S+ 0 0 15 -4,-2.9 -134,-1.9 1,-0.2 -1,-0.2 0.497 104.3 58.3 -76.0 -8.4 42.9 101.6 46.8 757 563 D R T << S+ 0 0 5 -3,-0.8 -1,-0.2 -4,-0.7 -2,-0.2 0.289 83.1 112.2 -98.6 1.5 44.9 99.0 48.8 758 564 D Q < + 0 0 102 -3,-1.1 -136,-0.2 -4,-0.1 2,-0.1 -0.406 57.9 40.7 -71.6 157.1 47.9 99.4 46.5 759 565 D G S S- 0 0 43 -2,-0.1 2,-0.2 4,-0.1 -3,-0.0 -0.282 98.2 -67.0 91.7 171.4 51.0 100.9 48.0 760 566 D N > - 0 0 84 -2,-0.1 4,-1.9 1,-0.1 5,-0.2 -0.495 50.3 -97.0 -95.7 170.9 52.4 100.1 51.4 761 567 D T H > S+ 0 0 20 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.841 121.7 51.4 -54.7 -38.8 50.8 101.0 54.8 762 568 D K H > S+ 0 0 102 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.889 107.9 51.4 -70.0 -40.8 52.9 104.2 55.2 763 569 D Q H > S+ 0 0 107 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.893 113.0 45.6 -62.3 -42.6 52.0 105.6 51.8 764 570 D R H X S+ 0 0 7 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.806 111.2 51.8 -71.0 -32.1 48.3 105.1 52.4 765 571 D I H X S+ 0 0 5 -4,-1.9 4,-2.3 -5,-0.2 -2,-0.2 0.905 110.4 50.2 -72.0 -33.8 48.5 106.6 55.9 766 572 D D H X S+ 0 0 71 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.906 108.4 50.6 -69.8 -40.9 50.3 109.6 54.3 767 573 D E H X S+ 0 0 89 -4,-2.0 4,-0.6 1,-0.2 -1,-0.2 0.910 108.9 53.9 -61.0 -39.4 47.6 110.0 51.7 768 574 D F H >< S+ 0 0 0 -4,-1.8 3,-1.0 1,-0.2 -2,-0.2 0.909 108.7 47.3 -59.2 -46.0 45.0 109.9 54.4 769 575 D E H 3< S+ 0 0 48 -4,-2.3 -174,-0.3 1,-0.2 -1,-0.2 0.841 110.0 54.4 -66.6 -30.4 46.7 112.7 56.4 770 576 D S H 3< 0 0 74 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.579 360.0 360.0 -80.9 -6.7 47.0 114.7 53.2 771 577 D X << 0 0 47 -3,-1.0 -1,-0.2 -4,-0.6 -2,-0.2 0.571 360.0 360.0 -74.6 360.0 43.2 114.4 52.5