==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 28-FEB-05 1YZV . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: TRYPANOSOMA CRUZI; . AUTHOR J.CARUTHERS,E.A.MERRITT,STRUCTURAL GENOMICS OF PATHOGENIC PR . 195 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9099.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 152 77.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 35 17.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 19 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 15.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 58 29.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.1 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 0 0 0 0 2 0 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 1 1 2 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 . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 S 0 0 103 0, 0.0 4,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 137.8 59.2 44.3 89.2 2 3 A R + 0 0 211 2,-0.1 2,-0.2 126,-0.0 3,-0.1 0.907 360.0 39.0 -82.6 -30.6 59.0 46.7 92.1 3 4 A L S S- 0 0 81 1,-0.2 164,-0.0 167,-0.1 125,-0.0 -0.498 109.5 -68.5-103.5 173.5 59.6 44.1 94.8 4 5 A L - 0 0 0 -2,-0.2 -1,-0.2 1,-0.1 2,-0.1 -0.284 56.0-118.8 -57.0 140.9 62.0 41.1 94.8 5 6 A K - 0 0 63 1,-0.2 -1,-0.1 -4,-0.1 5,-0.1 -0.447 42.2 -77.8 -73.8 160.1 60.9 38.4 92.3 6 7 A H >> - 0 0 53 -2,-0.1 3,-2.5 1,-0.1 4,-0.6 -0.325 47.8-109.7 -58.3 142.7 60.0 34.9 93.5 7 8 A Y T 34 S+ 0 0 20 164,-2.2 3,-0.3 1,-0.3 -1,-0.1 0.708 116.9 53.7 -54.7 -27.9 63.1 32.9 94.2 8 9 A G T 34 S+ 0 0 45 163,-0.2 -1,-0.3 1,-0.2 3,-0.1 0.578 95.2 69.6 -79.8 -13.8 62.6 30.6 91.2 9 10 A S T <4 S- 0 0 75 -3,-2.5 2,-0.3 1,-0.2 -1,-0.2 0.753 118.6 -17.1 -71.1 -34.0 62.3 33.5 88.8 10 11 A C S < S- 0 0 11 -4,-0.6 2,-0.2 -3,-0.3 -1,-0.2 -0.949 81.6 -82.7-160.1 168.4 66.0 34.5 89.0 11 12 A K E -a 101 0A 49 89,-3.1 91,-1.2 -2,-0.3 92,-1.1 -0.608 38.2-149.0 -86.7 144.5 68.9 33.9 91.3 12 13 A T E -ab 103 52A 0 39,-2.0 41,-1.8 -2,-0.2 2,-0.4 -0.977 2.0-151.6-115.6 132.6 69.3 36.1 94.5 13 14 A A E -ab 104 53A 0 90,-2.2 92,-2.8 -2,-0.4 2,-0.7 -0.910 6.5-148.6-104.3 132.9 72.7 37.0 96.1 14 15 A F E -ab 105 54A 0 39,-2.9 41,-2.9 -2,-0.4 2,-0.8 -0.918 13.4-159.7 -98.9 112.0 72.9 37.7 99.8 15 16 A F E -ab 106 55A 0 90,-3.0 92,-2.1 -2,-0.7 2,-0.8 -0.857 5.9-169.1-100.1 106.7 75.5 40.3 100.4 16 17 A C E -ab 107 56A 0 39,-3.0 41,-1.9 -2,-0.8 2,-0.9 -0.828 16.2-152.0 -97.7 99.3 76.8 40.3 104.0 17 18 A C E -ab 108 57A 0 90,-2.7 92,-2.9 -2,-0.8 41,-0.1 -0.709 51.1 -50.9 -88.1 101.2 78.9 43.4 104.3 18 19 A D + 0 0 0 39,-1.0 2,-1.8 -2,-0.9 -1,-0.2 0.745 61.8 169.4 54.9 45.3 81.7 43.5 106.8 19 20 A I + 0 0 0 38,-0.3 49,-3.0 -3,-0.1 2,-0.2 -0.598 30.2 162.5 -89.4 77.8 80.0 42.2 110.0 20 21 A Q B >> -F 67 0B 0 -2,-1.8 3,-1.4 47,-0.3 4,-0.7 -0.632 52.7-104.1-110.6 162.1 83.3 41.9 111.8 21 22 A E H >> S+ 0 0 84 45,-2.4 3,-1.3 1,-0.3 4,-0.5 0.825 113.4 53.8 -53.3 -43.5 84.6 41.5 115.3 22 23 A K H 34 S+ 0 0 140 42,-2.3 -1,-0.3 1,-0.3 3,-0.2 0.770 108.0 50.8 -74.1 -17.1 86.0 45.0 115.8 23 24 A F H X> S+ 0 0 20 -3,-1.4 4,-1.8 41,-0.4 3,-1.7 0.576 88.4 84.1 -82.6 -20.1 82.7 46.7 114.8 24 25 A M H << S+ 0 0 34 -3,-1.3 6,-0.3 -4,-0.7 -1,-0.2 0.883 96.4 39.2 -59.3 -36.0 80.6 44.6 117.2 25 26 A G T 3< S+ 0 0 81 -4,-0.5 -1,-0.3 -3,-0.2 -2,-0.1 0.170 117.8 49.5 -93.7 5.6 81.3 46.8 120.2 26 27 A R T <4 S+ 0 0 151 -3,-1.7 2,-0.6 1,-0.2 -2,-0.2 0.486 95.6 71.0-121.5 -14.8 81.0 50.1 118.2 27 28 A I S >< S- 0 0 3 -4,-1.8 3,-2.0 1,-0.1 4,-0.2 -0.907 74.1-146.0-111.4 113.2 77.7 49.6 116.3 28 29 A A T 3 S+ 0 0 98 -2,-0.6 3,-0.3 110,-0.6 -1,-0.1 0.814 96.3 37.9 -49.6 -44.8 74.8 49.8 118.7 29 30 A N T >> S+ 0 0 39 109,-0.3 4,-1.3 1,-0.2 3,-1.1 0.057 75.4 127.5 -97.9 24.7 72.5 47.3 116.9 30 31 A S H <> + 0 0 14 -3,-2.0 4,-2.3 -6,-0.3 -1,-0.2 0.827 68.3 62.0 -47.3 -38.4 75.4 44.9 116.0 31 32 A A H 3> S+ 0 0 38 -3,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.892 103.3 48.3 -61.9 -35.8 73.4 42.0 117.6 32 33 A N H <> S+ 0 0 7 -3,-1.1 4,-2.5 2,-0.2 -1,-0.2 0.822 107.3 56.1 -69.2 -31.0 70.5 42.5 115.1 33 34 A C H X S+ 0 0 0 -4,-1.3 4,-2.2 2,-0.2 -2,-0.2 0.928 109.3 46.0 -72.2 -37.4 72.9 42.6 112.2 34 35 A V H X S+ 0 0 9 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.923 111.9 52.3 -62.0 -49.4 74.3 39.2 113.3 35 36 A F H X S+ 0 0 27 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.882 110.7 47.4 -52.4 -44.9 70.7 37.9 113.7 36 37 A V H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 5,-0.3 0.878 108.6 54.7 -67.5 -39.0 69.8 39.1 110.2 37 38 A A H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.929 111.6 45.5 -58.8 -42.9 73.0 37.4 108.8 38 39 A N H X S+ 0 0 45 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.871 110.0 53.4 -68.0 -37.0 71.8 34.1 110.4 39 40 A R H X S+ 0 0 3 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.926 112.6 43.4 -63.6 -48.8 68.3 34.5 109.2 40 41 A F H X S+ 0 0 0 -4,-2.6 4,-3.1 2,-0.2 -2,-0.2 0.836 109.7 57.8 -69.0 -28.7 69.5 34.9 105.6 41 42 A A H X S+ 0 0 7 -4,-1.9 4,-2.2 -5,-0.3 -2,-0.2 0.947 109.2 45.7 -62.1 -45.8 72.0 32.1 106.0 42 43 A G H X S+ 0 0 27 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.896 114.5 47.7 -63.7 -43.3 69.0 29.8 106.9 43 44 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.953 110.3 51.3 -59.3 -52.4 67.0 31.1 104.0 44 45 A H H X S+ 0 0 3 -4,-3.1 4,-2.0 2,-0.2 -2,-0.2 0.900 110.4 49.9 -49.8 -47.1 69.9 30.7 101.6 45 46 A T H < S+ 0 0 88 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.923 111.5 48.7 -65.7 -36.1 70.3 27.1 102.8 46 47 A A H < S+ 0 0 30 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.852 112.2 47.8 -68.5 -39.1 66.6 26.3 102.3 47 48 A L H < S- 0 0 13 -4,-2.5 -1,-0.2 -5,-0.1 4,-0.2 0.831 103.4-147.6 -72.2 -34.8 66.5 27.8 98.8 48 49 A G >X - 0 0 27 -4,-2.0 3,-1.8 -5,-0.2 4,-1.5 0.029 31.2 -65.0 85.2 168.2 69.6 26.0 97.6 49 50 A T T 34 S+ 0 0 91 1,-0.3 -1,-0.2 2,-0.2 -4,-0.0 0.724 124.6 70.1 -71.2 -15.9 72.4 26.8 95.2 50 51 A A T 34 S+ 0 0 70 -3,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.839 118.9 16.8 -60.6 -29.4 69.9 26.8 92.3 51 52 A H T <4 S+ 0 0 56 -3,-1.8 -39,-2.0 -4,-0.2 2,-0.3 0.516 120.8 49.4-125.9 -8.6 68.4 30.0 93.6 52 53 A S E < -b 12 0A 2 -4,-1.5 2,-0.3 -41,-0.2 -39,-0.2 -1.000 43.6-173.2-146.5 141.3 70.8 31.6 96.1 53 54 A V E -b 13 0A 13 -41,-1.8 -39,-2.9 -2,-0.3 2,-0.5 -0.964 16.5-149.5-131.4 137.8 74.4 32.6 96.6 54 55 A Y E -b 14 0A 1 -2,-0.3 24,-2.7 22,-0.3 2,-0.5 -0.955 15.8-173.7-116.7 113.8 75.8 33.9 99.9 55 56 A I E -bc 15 78A 0 -41,-2.9 -39,-3.0 -2,-0.5 2,-0.4 -0.906 2.3-173.1-116.0 123.3 78.7 36.4 99.6 56 57 A V E -bc 16 79A 0 22,-3.4 24,-2.5 -2,-0.5 2,-0.3 -0.963 1.7-168.4-116.7 133.1 80.6 37.8 102.6 57 58 A T E -bc 17 80A 0 -41,-1.9 -39,-1.0 -2,-0.4 2,-0.4 -0.876 5.8-159.2-115.1 153.6 83.2 40.5 102.6 58 59 A E E - c 0 81A 26 22,-2.1 24,-2.3 -2,-0.3 2,-0.5 -0.987 16.5-136.5-129.3 124.0 85.7 41.5 105.3 59 60 A Q E S- c 0 82A 25 -2,-0.4 5,-0.4 1,-0.2 24,-0.2 -0.689 78.7 -34.1 -79.7 116.8 87.2 44.9 105.3 60 61 A Y S >> S- 0 0 107 22,-2.5 4,-2.4 -2,-0.5 3,-1.9 0.771 71.9-172.1 38.0 63.0 90.9 44.7 106.1 61 62 A P H 3> S+ 0 0 33 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.746 76.8 71.1 -64.8 -18.1 90.4 41.7 108.5 62 63 A K H 34 S+ 0 0 183 1,-0.2 -2,-0.1 2,-0.2 4,-0.1 0.888 117.4 22.5 -59.4 -36.8 94.1 41.9 109.6 63 64 A G H <4 S+ 0 0 36 -3,-1.9 -1,-0.2 2,-0.1 -3,-0.1 0.749 133.5 36.7 -97.2 -33.2 93.0 45.1 111.4 64 65 A L H < S- 0 0 51 -4,-2.4 -42,-2.3 -5,-0.4 -41,-0.4 0.390 104.3-120.9-107.9 -2.6 89.2 44.8 111.9 65 66 A G < - 0 0 21 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.1 0.043 35.2 -59.7 87.3 169.6 88.9 41.0 112.6 66 67 A A S S- 0 0 55 1,-0.2 -45,-2.4 -46,-0.1 3,-0.1 -0.338 73.4 -66.5 -73.8 172.0 87.1 38.2 110.9 67 68 A T B S-F 20 0B 14 -47,-0.3 -47,-0.3 1,-0.2 -1,-0.2 -0.238 78.0 -78.1 -50.6 139.1 83.3 38.0 110.4 68 69 A S > - 0 0 2 -49,-3.0 3,-2.0 1,-0.2 -1,-0.2 -0.203 32.2-135.3 -51.3 134.2 81.7 37.7 113.8 69 70 A A T 3 S+ 0 0 81 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.1 0.645 101.8 71.5 -65.8 -14.2 81.8 34.2 115.3 70 71 A D T 3 S+ 0 0 109 2,-0.1 2,-0.5 0, 0.0 -1,-0.3 0.607 82.3 87.0 -76.8 -12.5 78.1 34.6 116.2 71 72 A I S < S- 0 0 11 -3,-2.0 2,-1.0 -52,-0.1 -36,-0.1 -0.801 70.9-150.7 -86.9 129.8 77.3 34.3 112.5 72 73 A R - 0 0 212 -2,-0.5 -3,-0.1 0, 0.0 -2,-0.1 -0.833 20.4-154.2 -98.4 90.0 76.9 30.7 111.3 73 74 A L - 0 0 60 -2,-1.0 -35,-0.1 1,-0.1 -36,-0.0 -0.452 22.1-105.2 -65.0 145.2 78.0 31.1 107.7 74 75 A P > - 0 0 8 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 -0.370 31.5-113.6 -61.2 155.5 76.6 28.6 105.3 75 76 A P T 3 S+ 0 0 135 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.811 117.2 48.6 -66.6 -22.8 79.2 26.0 104.2 76 77 A D T 3 S+ 0 0 62 2,-0.1 -22,-0.3 0, 0.0 -3,-0.0 0.163 79.4 136.0-101.3 18.0 79.2 27.3 100.7 77 78 A A < - 0 0 22 -3,-2.0 2,-0.6 -24,-0.1 -22,-0.2 -0.353 52.4-135.9 -58.7 139.2 79.5 31.0 101.6 78 79 A H E -c 55 0A 75 -24,-2.7 -22,-3.4 2,-0.0 2,-0.5 -0.951 25.3-168.4-100.4 114.7 82.0 32.9 99.5 79 80 A V E +c 56 0A 60 -2,-0.6 2,-0.4 -24,-0.2 -22,-0.2 -0.928 7.9 177.3-112.4 128.3 84.2 35.0 101.8 80 81 A F E -c 57 0A 25 -24,-2.5 -22,-2.1 -2,-0.5 2,-0.3 -0.982 24.4-131.4-134.0 150.0 86.6 37.7 100.5 81 82 A S E +c 58 0A 70 -2,-0.4 2,-0.3 -24,-0.2 -22,-0.2 -0.692 33.5 171.9 -92.2 145.6 88.9 40.3 101.9 82 83 A K E -c 59 0A 12 -24,-2.3 -22,-2.5 -2,-0.3 5,-0.0 -0.997 40.9-169.1-148.9 160.9 88.8 43.9 100.6 83 84 A K S S+ 0 0 151 -2,-0.3 -1,-0.1 -24,-0.2 -24,-0.1 0.561 72.9 95.1-114.4 -21.6 90.0 47.5 101.1 84 85 A R S S- 0 0 129 1,-0.1 5,-0.1 2,-0.1 30,-0.0 -0.393 75.4-138.0 -63.7 143.5 87.5 48.9 98.6 85 86 A F S S+ 0 0 94 -2,-0.1 33,-0.1 3,-0.1 -1,-0.1 0.980 86.9 70.3 -75.8 -47.1 84.4 50.2 100.5 86 87 A A S S- 0 0 9 31,-0.2 29,-0.1 1,-0.1 28,-0.1 -0.316 84.9-132.7 -62.6 145.8 81.9 48.7 97.9 87 88 A M S S+ 0 0 0 27,-0.4 2,-2.3 1,-0.2 5,-0.1 0.594 80.6 101.0 -79.4 -3.2 81.7 44.9 97.9 88 89 A L + 0 0 10 4,-0.1 -1,-0.2 3,-0.1 -2,-0.1 -0.270 48.8 151.5 -90.1 54.4 82.0 44.7 94.1 89 90 A V >> - 0 0 14 -2,-2.3 3,-2.0 -5,-0.1 4,-1.7 -0.370 63.7 -94.5 -80.6 160.5 85.7 43.7 94.0 90 91 A P T 34 S+ 0 0 102 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.819 124.6 53.6 -50.6 -33.1 87.1 41.6 91.1 91 92 A Q T 34 S+ 0 0 125 1,-0.2 -3,-0.1 2,-0.2 4,-0.0 0.681 110.6 47.4 -71.6 -25.4 86.7 38.3 93.1 92 93 A V T X> S+ 0 0 0 -3,-2.0 3,-2.4 -5,-0.1 4,-0.8 0.814 94.6 76.4 -81.6 -30.0 83.0 39.1 93.7 93 94 A M H >X S+ 0 0 58 -4,-1.7 4,-3.3 1,-0.3 3,-0.9 0.806 87.4 56.4 -57.6 -41.4 82.1 40.1 90.1 94 95 A P H 34 S+ 0 0 88 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.546 107.2 54.0 -66.7 -7.9 82.0 36.5 88.6 95 96 A L H <4 S+ 0 0 38 -3,-2.4 -2,-0.2 3,-0.0 3,-0.1 0.696 126.0 16.4 -93.5 -24.9 79.4 35.6 91.3 96 97 A V H << S+ 0 0 0 -3,-0.9 2,-2.1 -4,-0.8 5,-0.2 0.582 100.9 85.4-124.1 -25.9 76.9 38.5 90.5 97 98 A D S < S+ 0 0 97 -4,-3.3 -1,-0.1 -5,-0.3 5,-0.1 -0.318 70.7 107.4 -78.3 53.8 77.9 39.8 87.1 98 99 A L S > S- 0 0 65 -2,-2.1 3,-1.4 3,-0.3 -3,-0.0 -0.988 78.7-124.8-128.6 139.6 75.7 37.1 85.5 99 100 A P T 3 S+ 0 0 120 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.840 109.7 58.5 -58.4 -28.3 72.3 37.8 83.9 100 101 A E T 3 S+ 0 0 104 1,-0.1 -89,-3.1 -90,-0.1 2,-1.4 0.710 88.6 76.4 -69.4 -29.3 70.6 35.2 86.1 101 102 A V E < +a 11 0A 1 -3,-1.4 -3,-0.3 -91,-0.2 -89,-0.2 -0.738 58.1 153.0 -84.9 85.8 71.7 37.0 89.4 102 103 A E E + 0 0 68 -2,-1.4 26,-2.3 -91,-1.2 2,-0.3 0.672 52.7 39.8 -91.1 -22.1 69.1 39.8 89.1 103 104 A Q E -ad 12 128A 1 -92,-1.1 -90,-2.2 24,-0.2 2,-0.4 -0.979 57.6-161.1-143.1 140.8 68.6 40.8 92.7 104 105 A V E -ad 13 129A 0 24,-1.8 26,-2.5 -2,-0.3 2,-0.6 -0.985 10.8-151.0-126.0 130.0 70.8 41.3 95.8 105 106 A V E -ad 14 130A 0 -92,-2.8 -90,-3.0 -2,-0.4 2,-0.4 -0.957 28.9-167.4 -97.7 120.5 69.7 41.4 99.4 106 107 A L E +ad 15 131A 0 24,-3.0 26,-2.4 -2,-0.6 2,-0.3 -0.915 19.3 140.1-123.0 133.6 72.2 43.7 101.1 107 108 A W E +a 16 0A 0 -92,-2.1 -90,-2.7 -2,-0.4 2,-0.3 -0.966 22.8 72.4-159.6 164.2 73.0 44.3 104.8 108 109 A G E +ad 17 136A 0 27,-0.9 29,-1.8 -2,-0.3 2,-0.3 -0.942 62.3 19.9 134.9-149.6 75.8 44.9 107.3 109 110 A F E S+ d 0 137A 0 -92,-2.9 29,-0.1 -2,-0.3 -2,-0.1 -0.892 104.1 9.6-114.7 147.6 78.3 47.5 108.4 110 111 A E > > - 0 0 26 27,-0.6 5,-2.0 -2,-0.3 3,-1.5 0.748 57.8-162.0 -98.0 149.6 78.5 50.4 108.0 111 112 A T T 3 >S+ 0 0 0 26,-1.3 5,-1.2 1,-0.3 27,-0.1 0.859 93.5 42.1 -52.0 -43.2 75.2 51.7 106.5 112 113 A H T 3 5S+ 0 0 49 3,-0.2 -1,-0.3 4,-0.1 26,-0.1 0.386 126.5 28.0 -91.3 -1.0 76.7 55.0 105.3 113 114 A V T <>5S+ 0 0 36 -3,-1.5 4,-2.7 -28,-0.1 5,-0.3 0.417 128.6 14.6-121.2 -87.5 80.0 53.6 103.9 114 115 A C H >5S+ 0 0 9 1,-0.2 4,-1.9 2,-0.2 -27,-0.4 0.900 130.5 45.2 -65.4 -40.1 80.3 50.0 102.6 115 116 A I H ><>S+ 0 0 0 -4,-2.6 5,-2.2 1,-0.2 3,-0.6 0.898 107.9 53.8 -65.7 -36.4 75.0 47.5 92.1 123 124 A L H ><5S+ 0 0 31 -4,-2.4 3,-1.7 1,-0.3 -1,-0.2 0.907 104.1 55.6 -66.4 -37.1 72.7 50.1 90.7 124 125 A D H 3<5S+ 0 0 138 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.755 105.8 51.8 -60.7 -30.6 75.4 51.0 88.2 125 126 A M T <<5S- 0 0 43 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.229 118.3-115.1 -84.8 4.2 75.3 47.3 87.2 126 127 A K T < 5 + 0 0 203 -3,-1.7 2,-0.3 1,-0.2 -3,-0.2 0.790 67.5 144.0 62.0 37.0 71.5 47.5 86.7 127 128 A K < - 0 0 21 -5,-2.2 2,-0.3 -24,-0.0 -1,-0.2 -0.720 55.2-115.6 -96.2 154.1 70.8 45.0 89.5 128 129 A K E -d 103 0A 27 -26,-2.3 -24,-1.8 -2,-0.3 2,-0.4 -0.666 36.2-168.4 -80.6 134.6 67.8 45.3 91.9 129 130 A V E -de 104 159A 0 29,-2.7 31,-2.0 -2,-0.3 2,-0.5 -0.997 11.2-168.2-134.8 128.1 69.1 45.8 95.4 130 131 A V E -de 105 160A 0 -26,-2.5 -24,-3.0 -2,-0.4 2,-0.5 -0.987 13.7-146.3-119.6 119.9 67.1 45.6 98.6 131 132 A I E -de 106 161A 0 29,-2.8 31,-3.2 -2,-0.5 2,-1.2 -0.801 5.6-146.4 -83.1 131.0 68.6 46.9 101.8 132 133 A A E > - e 0 162A 0 -26,-2.4 3,-2.0 -2,-0.5 -24,-0.3 -0.763 17.2-171.0 -93.4 91.8 67.6 44.9 105.0 133 134 A V E > S+ 0 0 36 29,-2.4 3,-1.6 -2,-1.2 -1,-0.2 0.795 78.7 62.3 -57.4 -35.0 67.6 47.9 107.3 134 135 A D E 3 S+ 0 0 11 28,-0.3 -1,-0.3 1,-0.3 -98,-0.2 0.667 106.8 47.2 -67.3 -11.0 67.2 45.7 110.5 135 136 A G E < S+ 0 0 0 -3,-2.0 -27,-0.9 -29,-0.1 2,-0.3 0.079 99.7 89.5-112.6 13.3 70.5 44.1 109.6 136 137 A C E < +d 108 0A 0 -3,-1.6 2,-0.3 -29,-0.2 -27,-0.2 -0.887 48.6 160.2-110.5 148.5 72.3 47.5 108.9 137 138 A G E -d 109 0A 0 -29,-1.8 -26,-1.3 -2,-0.3 -27,-0.6 -0.988 20.6-160.3-161.3 159.6 74.2 49.7 111.3 138 139 A S - 0 0 6 -2,-0.3 -110,-0.6 -28,-0.3 -109,-0.3 -0.856 40.6-105.7-132.8 169.1 76.7 52.5 111.7 139 140 A Q S S+ 0 0 83 -2,-0.3 2,-0.4 -112,-0.2 -111,-0.2 0.831 111.2 39.8 -69.5 -22.7 78.8 53.7 114.6 140 141 A S S > S- 0 0 45 1,-0.1 4,-1.8 -113,-0.1 5,-0.1 -0.966 76.4-138.5-125.7 143.4 76.5 56.7 114.9 141 142 A Q H > S+ 0 0 159 -2,-0.4 4,-3.2 1,-0.2 5,-0.2 0.871 104.2 55.8 -61.6 -39.8 72.7 56.6 114.5 142 143 A G H > S+ 0 0 39 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.884 106.6 49.4 -61.9 -43.4 72.8 59.9 112.5 143 144 A D H > S+ 0 0 78 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.915 115.5 44.8 -59.9 -43.0 75.2 58.5 109.9 144 145 A H H X S+ 0 0 31 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.950 113.5 47.6 -66.9 -53.7 73.0 55.4 109.6 145 146 A C H X S+ 0 0 44 -4,-3.2 4,-2.3 2,-0.2 -1,-0.2 0.891 111.1 50.1 -57.6 -46.4 69.6 57.2 109.4 146 147 A T H X S+ 0 0 92 -4,-2.0 4,-2.2 -5,-0.2 -1,-0.2 0.932 112.1 48.5 -62.0 -38.0 70.7 59.7 106.8 147 148 A A H X S+ 0 0 6 -4,-1.6 4,-2.6 -5,-0.2 -2,-0.2 0.868 108.9 51.6 -70.7 -37.7 72.1 57.0 104.6 148 149 A I H X S+ 0 0 12 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.936 110.9 49.9 -60.0 -50.3 69.0 54.8 104.8 149 150 A Q H X S+ 0 0 120 -4,-2.3 4,-1.2 2,-0.2 -2,-0.2 0.890 108.6 52.8 -56.3 -36.7 67.0 57.9 103.8 150 151 A L H >< S+ 0 0 75 -4,-2.2 3,-0.8 2,-0.2 4,-0.4 0.970 110.3 46.9 -63.5 -48.7 69.3 58.5 100.9 151 152 A M H >< S+ 0 0 0 -4,-2.6 3,-1.8 1,-0.3 -2,-0.2 0.863 104.5 61.2 -63.4 -32.0 68.8 54.9 99.7 152 153 A Q H >< S+ 0 0 108 -4,-2.5 3,-1.0 1,-0.3 -1,-0.3 0.818 97.3 60.2 -65.6 -29.1 65.0 55.3 100.1 153 154 A S T << S+ 0 0 83 -4,-1.2 3,-0.4 -3,-0.8 -1,-0.3 0.650 94.6 65.6 -72.2 -5.7 65.2 58.1 97.5 154 155 A W T X > + 0 0 58 -3,-1.8 5,-1.6 -4,-0.4 3,-1.5 0.279 62.9 110.6 -99.1 11.0 66.7 55.6 94.9 155 156 A S G X 5S+ 0 0 73 -3,-1.0 3,-1.6 1,-0.3 -1,-0.2 0.846 70.3 64.4 -48.7 -39.4 63.5 53.3 94.6 156 157 A G G 3 5S+ 0 0 78 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.833 105.2 44.8 -58.1 -30.6 62.9 54.6 91.0 157 158 A D G < 5S- 0 0 132 -3,-1.5 -1,-0.3 2,-0.2 -2,-0.2 0.332 129.6 -85.5-102.6 9.2 66.1 53.0 89.9 158 159 A G T < 5S+ 0 0 24 -3,-1.6 -29,-2.7 1,-0.3 2,-0.5 0.540 92.4 109.5 98.3 14.2 65.8 49.6 91.6 159 160 A C E < +e 129 0A 0 -5,-1.6 2,-0.3 -31,-0.2 -1,-0.3 -0.979 37.9 161.0-118.7 121.8 67.2 50.1 95.1 160 161 A Y E -e 130 0A 24 -31,-2.0 -29,-2.8 -2,-0.5 2,-0.5 -0.928 34.7-119.2-135.6 168.6 64.7 50.0 98.0 161 162 A I E +e 131 0A 26 -2,-0.3 2,-0.2 -31,-0.2 -29,-0.2 -0.920 41.0 148.0-110.5 130.3 64.8 49.5 101.8 162 163 A S E -e 132 0A 16 -31,-3.2 -29,-2.4 -2,-0.5 -28,-0.3 -0.523 40.7-101.7-139.8-171.7 62.9 46.7 103.4 163 164 A T > - 0 0 46 -31,-0.2 4,-2.8 -2,-0.2 3,-0.3 -0.959 32.8-108.9-119.6 159.8 63.2 44.4 106.5 164 165 A S H > S+ 0 0 0 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.860 118.1 49.9 -56.7 -38.1 64.4 40.8 106.7 165 166 A E H > S+ 0 0 88 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.941 112.6 46.6 -69.7 -39.0 61.0 39.4 107.4 166 167 A S H > S+ 0 0 50 -3,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.933 112.0 52.5 -65.3 -39.0 59.4 41.3 104.5 167 168 A I H X S+ 0 0 0 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.927 106.8 51.6 -65.3 -46.6 62.3 40.2 102.3 168 169 A L H X S+ 0 0 0 -4,-2.9 4,-1.0 1,-0.2 -1,-0.2 0.912 113.7 43.8 -52.9 -49.2 61.7 36.5 103.2 169 170 A M H X S+ 0 0 55 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.811 108.7 58.7 -76.9 -24.9 58.0 36.7 102.4 170 171 A Q H < S+ 0 0 15 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.872 106.9 47.7 -62.5 -40.5 58.8 38.7 99.1 171 172 A L H < S+ 0 0 0 -4,-2.0 -164,-2.2 1,-0.2 -163,-0.2 0.740 120.2 38.1 -72.6 -32.0 60.9 35.8 97.9 172 173 A L H < S- 0 0 2 -4,-1.0 2,-1.0 -5,-0.2 -2,-0.2 0.745 75.4-175.8 -88.8 -41.6 58.2 33.2 98.7 173 174 A K < + 0 0 109 -4,-2.6 2,-0.3 -5,-0.1 -4,-0.1 0.061 62.8 43.8 71.4 -18.2 54.9 35.0 97.9 174 175 A D S > S- 0 0 94 -2,-1.0 3,-1.7 1,-0.0 6,-0.2 -0.988 71.1-132.9-163.1 131.7 52.6 32.3 99.1 175 176 A A T 3 S+ 0 0 69 -2,-0.3 6,-0.1 1,-0.3 9,-0.1 0.616 106.8 63.1 -65.3 -16.9 52.3 30.0 102.2 176 177 A S T 3 S+ 0 0 96 4,-0.1 -1,-0.3 3,-0.0 -3,-0.1 0.475 73.7 122.4 -87.4 -1.7 51.8 27.0 99.9 177 178 A D S X> S- 0 0 21 -3,-1.7 3,-1.8 1,-0.1 4,-0.5 -0.307 76.3-117.3 -54.5 135.0 55.2 27.4 98.4 178 179 A P T 34 S+ 0 0 114 0, 0.0 4,-0.3 0, 0.0 -1,-0.1 0.722 112.2 45.9 -49.8 -31.8 57.2 24.2 98.8 179 180 A V T 3> S+ 0 0 20 1,-0.1 4,-2.0 2,-0.1 5,-0.2 0.510 86.1 92.0 -89.2 -7.4 59.9 25.9 101.0 180 181 A F H <> S+ 0 0 58 -3,-1.8 4,-3.1 1,-0.2 3,-0.1 0.919 84.7 50.6 -53.1 -49.3 57.5 27.9 103.3 181 182 A K H < S+ 0 0 181 -4,-0.5 -1,-0.2 1,-0.2 -2,-0.1 0.893 112.5 48.4 -58.5 -34.4 57.3 25.2 105.9 182 183 A T H 4 S+ 0 0 93 -4,-0.3 -1,-0.2 -3,-0.2 -2,-0.2 0.851 118.6 38.5 -70.9 -35.8 61.1 25.0 106.0 183 184 A I H >X S+ 0 0 1 -4,-2.0 3,-1.6 1,-0.1 4,-0.9 0.729 94.2 82.9 -85.5 -32.4 61.5 28.9 106.2 184 185 A A H >X S+ 0 0 16 -4,-3.1 4,-0.8 1,-0.3 3,-0.7 0.828 83.7 60.4 -48.5 -41.0 58.5 29.7 108.6 185 186 A P H >> S+ 0 0 73 0, 0.0 4,-0.8 0, 0.0 3,-0.6 0.834 96.5 62.7 -59.9 -26.7 60.5 28.8 111.8 186 187 A L H X4 S+ 0 0 27 -3,-1.6 3,-0.8 1,-0.2 -2,-0.2 0.897 101.0 51.8 -66.2 -36.4 63.0 31.6 110.9 187 188 A M H << S+ 0 0 47 -4,-0.9 -1,-0.2 -3,-0.7 -3,-0.1 0.729 101.1 60.9 -75.9 -18.1 60.3 34.2 111.2 188 189 A K H << S+ 0 0 169 -4,-0.8 -1,-0.2 -3,-0.6 -2,-0.2 0.685 84.0 96.8 -78.4 -15.3 59.3 32.9 114.6 189 190 A Q S << S- 0 0 103 -3,-0.8 2,-0.4 -4,-0.8 -150,-0.0 -0.404 75.2-131.4 -71.4 148.0 62.8 33.8 115.9 190 191 A T - 0 0 118 -2,-0.0 -2,-0.1 1,-0.0 -1,-0.1 -0.849 16.6-109.6-108.8 139.7 62.9 37.2 117.7 191 192 A H - 0 0 35 -2,-0.4 -159,-0.1 1,-0.2 4,-0.1 -0.394 25.5-128.1 -59.1 144.7 65.5 40.0 117.1 192 193 A P S S+ 0 0 78 0, 0.0 2,-0.5 0, 0.0 -1,-0.2 0.783 100.8 43.2 -63.8 -32.1 67.8 40.3 120.0 193 194 A I S S- 0 0 73 -164,-0.1 -2,-0.1 0, 0.0 -164,-0.0 -0.994 105.0-104.7-116.9 113.9 67.0 44.0 120.1 194 195 A R 0 0 211 -2,-0.5 -162,-0.0 1,-0.1 -4,-0.0 -0.103 360.0 360.0 -18.2 120.4 63.4 45.1 119.6 195 196 A I 0 0 124 -4,-0.1 -1,-0.1 0, 0.0 0, 0.0 0.715 360.0 360.0-109.4 360.0 62.5 46.5 116.2