==== 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 AMINOTRANSFERASE 13-JUL-93 1AAW . COMPND 2 MOLECULE: ASPARTATE AMINOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR S.C.ALMO,D.L.SMITH,A.T.DANISHEFSKY,D.RINGE . 396 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18881.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 267 67.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 6.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 5.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 22 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 142 35.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.0 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 2 2 0 0 1 2 1 1 0 2 0 0 0 0 0 0 0 0 0 0 0 1 0 0 RESIDUES PER ALPHA HELIX . 0 2 0 1 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 PARALLEL BRIDGES PER LADDER . 1 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 2 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 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 13 A M 0 0 201 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -31.1 115.1 30.0 55.6 2 14 A F + 0 0 167 4,-0.0 2,-1.0 1,-0.0 0, 0.0 0.438 360.0 115.4-113.3 -7.8 117.4 28.1 53.2 3 15 A E S S+ 0 0 176 3,-0.0 2,-0.1 2,-0.0 -1,-0.0 -0.620 79.1 6.7 -92.3 112.1 116.9 24.6 54.8 4 16 A N S S+ 0 0 146 -2,-1.0 0, 0.0 -3,-0.0 0, 0.0 0.355 115.7 18.8 83.2 138.9 115.4 22.5 52.3 5 17 A I + 0 0 165 -2,-0.1 2,-0.2 1,-0.1 -2,-0.0 0.944 56.5 125.5 35.0 112.6 114.6 23.3 48.8 6 18 A T - 0 0 112 1,-0.1 2,-0.1 -3,-0.0 -1,-0.1 -0.209 53.6-136.9-139.6-120.1 116.2 26.1 46.9 7 19 A A - 0 0 97 -2,-0.2 -1,-0.1 1,-0.1 -2,-0.0 -0.355 15.8-134.2-164.4-115.6 117.8 24.6 43.6 8 20 A A - 0 0 96 -2,-0.1 -1,-0.1 1,-0.1 0, 0.0 0.046 9.2-179.4-167.5 -94.0 120.5 24.2 40.9 9 21 A P - 0 0 121 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.748 28.7-124.1 -65.5 140.6 121.2 24.1 37.3 10 22 A A - 0 0 83 1,-0.1 4,-0.0 2,-0.1 -2,-0.0 0.111 26.9-108.1 -51.6 144.0 124.6 23.7 35.7 11 23 A D > - 0 0 77 1,-0.1 4,-2.0 2,-0.1 5,-0.4 -0.683 27.4-125.5 -76.8 117.1 126.1 26.0 33.1 12 24 A P T 4 S+ 0 0 92 0, 0.0 4,-0.3 0, 0.0 359,-0.2 0.807 106.4 16.2 -7.8 -75.5 126.1 24.5 29.5 13 25 A I T >4 S+ 0 0 36 1,-0.2 3,-2.9 2,-0.1 4,-0.4 0.987 121.2 62.9 -84.9 -55.7 129.8 25.0 29.0 14 26 A L T 34 S+ 0 0 121 1,-0.3 4,-0.2 2,-0.2 -1,-0.2 0.488 101.5 50.6 -46.6 -17.5 131.1 25.6 32.6 15 27 A G T >< S+ 0 0 24 -4,-2.0 3,-0.6 -3,-0.2 -1,-0.3 0.631 95.4 72.7 -92.5 -18.3 130.1 22.1 34.0 16 28 A L G X S+ 0 0 24 -3,-2.9 3,-0.7 -5,-0.4 -2,-0.2 0.623 85.9 67.8 -67.0 -15.4 131.8 20.3 31.1 17 29 A A G >> S+ 0 0 54 -4,-0.4 3,-1.9 1,-0.2 4,-1.4 0.851 85.2 66.0 -76.1 -34.2 135.3 21.2 32.6 18 30 A D G <4 S+ 0 0 106 -3,-0.6 -1,-0.2 1,-0.3 -2,-0.1 0.349 103.3 47.5 -76.2 8.8 135.0 19.0 35.7 19 31 A L G <4 S+ 0 0 70 -3,-0.7 -1,-0.3 3,-0.0 3,-0.2 0.157 98.3 69.7-123.4 9.1 135.0 15.8 33.5 20 32 A F T X4 S+ 0 0 58 -3,-1.9 3,-1.2 1,-0.4 2,-1.0 0.893 101.9 47.6 -87.3 -53.9 138.0 17.0 31.5 21 33 A R T 3< S+ 0 0 182 -4,-1.4 -1,-0.4 1,-0.2 0, 0.0 -0.856 102.5 60.3 -93.0 109.9 140.1 16.5 34.6 22 34 A A T 3 S+ 0 0 73 -2,-1.0 -1,-0.2 -3,-0.2 -2,-0.1 0.021 75.8 102.7 156.8 -1.0 139.0 13.1 35.6 23 35 A D < - 0 0 29 -3,-1.2 2,-2.4 1,-0.2 5,-0.2 0.301 45.1-172.3 -99.4 19.2 140.0 11.2 32.5 24 36 A E + 0 0 181 2,-0.0 -1,-0.2 4,-0.0 -3,-0.0 0.050 50.9 110.6 38.8 -62.9 143.3 9.1 32.9 25 37 A R S S- 0 0 58 -2,-2.4 3,-0.2 1,-0.1 -2,-0.1 0.027 73.2-121.9 -39.1 143.6 143.6 8.1 29.2 26 38 A P S S+ 0 0 126 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.980 99.0 54.4 -44.5 -72.8 146.3 9.5 26.9 27 39 A G + 0 0 52 2,-0.0 339,-0.1 360,-0.0 -2,-0.0 0.570 65.1 148.2 -45.1 -40.7 144.4 11.2 24.2 28 40 A K - 0 0 44 -5,-0.2 2,-0.4 -3,-0.2 339,-0.2 0.438 22.4-176.1 -7.8 107.2 142.1 13.6 26.1 29 41 A I E -a 367 0A 11 337,-2.4 339,-3.2 358,-0.1 2,-1.0 -0.957 12.9-155.2-117.4 109.7 141.5 16.8 24.0 30 42 A N E +a 368 0A 19 -2,-0.4 3,-0.3 337,-0.2 2,-0.2 -0.680 27.9 155.2 -88.9 95.8 139.4 19.7 25.4 31 43 A L + 0 0 1 337,-2.1 344,-0.1 -2,-1.0 3,-0.1 -0.622 61.5 71.8 -87.0 173.6 137.8 21.8 22.7 32 44 A G + 0 0 4 1,-0.3 -1,-0.1 -2,-0.2 337,-0.1 0.581 69.3 120.2 90.2 -4.5 134.8 23.4 24.6 33 45 A I - 0 0 22 -3,-0.3 -1,-0.3 335,-0.1 346,-0.1 -0.361 60.2-142.8 -73.8 172.1 137.0 25.6 26.6 34 46 A G + 0 0 27 -2,-0.1 2,-0.2 2,-0.1 313,-0.1 0.349 69.0 78.9-121.6 3.1 136.3 29.5 26.2 35 47 A V S S- 0 0 43 1,-0.1 2,-0.2 341,-0.0 -2,-0.1 -0.613 81.9-100.2-106.6 171.0 139.9 30.9 26.3 36 48 A Y - 0 0 18 -2,-0.2 2,-0.3 343,-0.1 -2,-0.1 -0.567 34.4-169.3 -81.3 155.6 142.7 31.1 23.8 37 49 A K - 0 0 49 -2,-0.2 6,-0.2 6,-0.1 343,-0.1 -0.983 14.6-131.0-146.1 143.1 145.5 28.7 23.9 38 50 A D > - 0 0 40 4,-1.9 3,-2.6 -2,-0.3 4,-0.1 -0.316 46.5 -78.0 -83.7 176.4 148.8 28.8 22.1 39 51 A E T 3 S+ 0 0 70 1,-0.3 344,-0.3 2,-0.1 -1,-0.0 0.538 131.4 49.7 -55.1 -7.4 150.5 25.9 20.0 40 52 A T T 3 S- 0 0 108 2,-0.2 -1,-0.3 341,-0.1 341,-0.1 0.310 118.2-105.6-114.9 1.4 151.6 24.3 23.3 41 53 A G S < S+ 0 0 32 -3,-2.6 2,-0.3 1,-0.3 -2,-0.1 0.699 78.4 118.8 87.8 17.0 148.3 24.3 25.2 42 54 A K - 0 0 140 -4,-0.1 -4,-1.9 1,-0.0 -1,-0.3 -0.818 60.1-139.9-115.5 158.8 148.8 27.1 27.7 43 55 A T - 0 0 57 -2,-0.3 -6,-0.1 -6,-0.2 3,-0.1 -0.737 38.4-167.1-111.0 81.8 147.1 30.5 28.2 44 56 A P - 0 0 63 0, 0.0 2,-0.4 0, 0.0 3,-0.0 0.023 27.7-102.8 -66.7 161.2 150.3 32.5 28.9 45 57 A V - 0 0 74 1,-0.1 204,-0.1 205,-0.0 205,-0.1 -0.774 50.6-104.1 -81.3 139.1 150.4 36.1 30.3 46 58 A L > - 0 0 14 202,-0.4 4,-2.1 -2,-0.4 5,-0.2 -0.372 18.9-127.5 -62.8 142.7 151.1 38.5 27.4 47 59 A T H > S+ 0 0 84 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.928 111.2 53.3 -55.5 -44.3 154.7 39.8 27.2 48 60 A S H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 3,-0.2 0.884 107.2 48.2 -61.3 -39.6 153.2 43.3 27.0 49 61 A V H > S+ 0 0 0 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.869 107.4 56.2 -82.2 -24.6 151.0 42.9 30.1 50 62 A K H X S+ 0 0 120 -4,-2.1 4,-1.4 2,-0.2 -1,-0.2 0.827 108.3 49.7 -60.5 -31.4 154.0 41.6 32.2 51 63 A K H X S+ 0 0 108 -4,-1.5 4,-1.9 -3,-0.2 3,-0.3 0.947 110.7 47.7 -73.5 -42.9 155.9 44.7 31.3 52 64 A A H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.810 107.7 57.5 -68.1 -26.1 153.0 47.0 32.3 53 65 A E H X S+ 0 0 48 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.880 106.3 47.7 -71.6 -34.7 152.7 45.0 35.5 54 66 A Q H X S+ 0 0 99 -4,-1.4 4,-1.8 -3,-0.3 -2,-0.2 0.885 110.7 53.1 -69.4 -40.1 156.4 45.8 36.5 55 67 A Y H X S+ 0 0 122 -4,-1.9 4,-2.7 1,-0.2 3,-0.3 0.956 110.3 47.3 -53.7 -59.5 155.8 49.5 35.6 56 68 A L H X S+ 0 0 6 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.841 109.4 53.3 -52.6 -43.0 152.7 49.5 38.0 57 69 A L H < S+ 0 0 132 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.899 116.2 39.3 -57.2 -44.3 154.7 47.8 40.9 58 70 A E H < S+ 0 0 115 -4,-1.8 -2,-0.2 -3,-0.3 -1,-0.2 0.892 125.1 36.7 -78.4 -34.4 157.4 50.4 40.7 59 71 A N H < S+ 0 0 79 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.943 87.7 90.5 -92.0 -46.9 155.2 53.4 40.1 60 72 A E < + 0 0 69 -4,-1.7 3,-0.1 -5,-0.2 0, 0.0 -0.159 39.3 175.3 -50.7 137.3 151.9 53.1 42.1 61 73 A T + 0 0 135 1,-0.3 2,-0.3 0, 0.0 -1,-0.1 0.485 63.4 33.4-121.9 -11.9 152.0 54.7 45.5 62 74 A T - 0 0 101 2,-0.1 -1,-0.3 1,-0.0 0, 0.0 -0.970 51.6-154.6-140.9 163.1 148.4 54.2 46.6 63 75 A K + 0 0 163 -2,-0.3 3,-0.1 -3,-0.1 225,-0.1 -0.162 46.7 151.3-123.9 31.4 145.6 51.8 46.2 64 76 A N - 0 0 121 1,-0.2 -2,-0.1 0, 0.0 0, 0.0 -0.306 53.3 -72.3 -74.2 148.3 142.8 54.4 46.8 65 77 A Y - 0 0 185 1,-0.1 2,-0.2 -2,-0.0 -1,-0.2 0.092 41.0-135.1 -42.1 140.8 139.3 54.1 45.3 66 78 A L - 0 0 40 220,-0.3 5,-0.1 1,-0.1 -1,-0.1 -0.530 35.4 -92.7 -87.7 159.0 138.8 54.8 41.7 67 79 A G B > -B 70 0B 43 3,-0.6 3,-2.3 -2,-0.2 -1,-0.1 -0.355 47.6 -95.6 -67.5 168.6 135.8 57.0 40.7 68 80 A I T 3 S+ 0 0 48 1,-0.3 -1,-0.1 217,-0.2 31,-0.1 0.822 128.4 43.0 -58.1 -33.7 132.6 55.1 39.9 69 81 A D T 3 S- 0 0 40 1,-0.3 30,-1.1 29,-0.1 -1,-0.3 0.292 109.8-136.7 -97.6 9.8 133.4 55.1 36.2 70 82 A G B < +B 67 0B 10 -3,-2.3 -3,-0.6 28,-0.2 -1,-0.3 -0.458 52.4 2.4 83.3-143.9 137.1 54.2 36.7 71 83 A I > - 0 0 27 -2,-0.2 4,-1.7 1,-0.1 3,-0.3 -0.786 54.6-146.0 -87.5 116.6 140.4 55.5 35.1 72 84 A P H > S+ 0 0 94 0, 0.0 4,-1.7 0, 0.0 5,-0.3 0.894 99.3 57.5 -46.8 -48.7 139.9 58.4 32.6 73 85 A E H > S+ 0 0 70 1,-0.2 4,-1.9 2,-0.2 3,-0.5 0.925 105.8 50.4 -47.6 -54.5 142.9 57.2 30.4 74 86 A F H > S+ 0 0 2 -3,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.909 106.2 56.6 -50.0 -55.1 141.1 53.7 30.0 75 87 A G H X S+ 0 0 11 -4,-1.7 4,-1.8 1,-0.2 -1,-0.2 0.816 112.8 37.8 -51.2 -38.0 137.8 55.4 29.0 76 88 A R H X S+ 0 0 145 -4,-1.7 4,-2.4 -3,-0.5 -1,-0.2 0.770 110.9 57.8 -92.8 -21.2 139.3 57.3 26.0 77 89 A C H X S+ 0 0 19 -4,-1.9 4,-1.8 -5,-0.3 -2,-0.2 0.936 111.3 46.3 -65.6 -38.6 141.6 54.6 25.0 78 90 A T H X S+ 0 0 0 -4,-2.6 4,-3.2 2,-0.2 5,-0.2 0.915 111.3 50.2 -64.9 -51.3 138.4 52.5 24.7 79 91 A Q H X S+ 0 0 21 -4,-1.8 4,-1.9 1,-0.2 5,-0.4 0.904 112.7 47.0 -58.2 -45.3 136.5 55.2 22.8 80 92 A E H X S+ 0 0 94 -4,-2.4 4,-1.5 3,-0.2 -1,-0.2 0.866 114.3 47.3 -66.9 -32.3 139.4 55.6 20.4 81 93 A L H < S+ 0 0 14 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.934 117.9 42.1 -72.5 -41.0 139.6 51.7 19.9 82 94 A L H < S+ 0 0 2 -4,-3.2 -2,-0.2 1,-0.2 -1,-0.2 0.792 132.3 16.7 -75.3 -30.3 135.8 51.3 19.4 83 95 A F H < S- 0 0 11 -4,-1.9 -3,-0.2 -5,-0.2 -2,-0.2 0.564 104.6-106.0-121.6 -18.7 135.1 54.3 17.2 84 96 A G < - 0 0 17 -4,-1.5 3,-0.3 -5,-0.4 -1,-0.2 -0.225 35.2 -81.4 103.0 160.7 138.3 55.6 15.7 85 97 A K S S+ 0 0 176 1,-0.2 2,-1.1 -2,-0.1 -1,-0.1 0.916 120.4 42.2 -69.4 -51.5 140.5 58.7 16.3 86 98 A G S S+ 0 0 69 -6,-0.1 2,-0.4 -3,-0.1 -1,-0.2 -0.726 80.0 147.3 -99.9 83.8 138.6 61.3 14.4 87 99 A S >> - 0 0 16 -2,-1.1 4,-1.9 -3,-0.3 3,-1.0 -0.977 54.1-136.2-119.4 138.0 135.0 60.4 15.1 88 100 A A H 3> S+ 0 0 69 -2,-0.4 4,-2.2 1,-0.2 6,-0.2 0.863 106.7 64.3 -51.8 -31.4 132.1 62.9 15.4 89 101 A L H 34>S+ 0 0 11 1,-0.2 5,-2.5 2,-0.2 6,-0.5 0.849 107.3 35.9 -63.4 -39.0 131.2 60.9 18.5 90 102 A I H X45S+ 0 0 33 -3,-1.0 3,-1.3 3,-0.2 -1,-0.2 0.885 117.3 48.1 -83.0 -46.2 134.4 61.8 20.6 91 103 A N H 3<5S+ 0 0 126 -4,-1.9 -2,-0.2 1,-0.2 -3,-0.2 0.926 113.0 51.4 -65.0 -34.8 135.0 65.3 19.5 92 104 A D T 3<5S- 0 0 98 -4,-2.2 173,-0.6 -5,-0.3 -1,-0.2 0.342 108.7-125.4 -80.4 7.3 131.3 66.1 20.2 93 105 A K T < 5 + 0 0 135 -3,-1.3 -3,-0.2 1,-0.1 175,-0.1 0.898 64.7 139.4 48.2 47.7 131.5 64.6 23.7 94 106 A R < + 0 0 29 -5,-2.5 168,-1.6 -6,-0.2 2,-0.4 0.472 49.2 68.3 -95.6 -5.3 128.6 62.2 22.9 95 107 A A E -C 261 0C 8 -6,-0.5 2,-0.4 166,-0.2 166,-0.2 -0.947 53.1-171.3-127.6 141.6 130.0 59.2 24.6 96 108 A R E -C 260 0C 78 164,-2.0 164,-2.8 -2,-0.4 2,-0.4 -0.994 10.5-159.7-129.5 134.0 130.6 58.2 28.2 97 109 A T E -C 259 0C 6 -2,-0.4 2,-0.4 162,-0.2 162,-0.3 -0.950 2.3-159.2-116.9 120.6 132.5 55.0 29.2 98 110 A A E -C 258 0C 0 160,-2.3 160,-2.4 -2,-0.4 2,-0.5 -0.879 22.9-128.0-100.3 139.8 132.3 53.3 32.6 99 111 A Q E -C 257 0C 5 -30,-1.1 158,-0.2 -2,-0.4 156,-0.1 -0.782 41.5-178.2 -82.4 136.6 135.1 51.0 33.5 100 112 A T E -C 256 0C 1 156,-2.5 156,-1.7 -2,-0.5 2,-1.5 -0.924 37.3 -90.8-141.4 150.0 133.4 47.8 34.5 101 113 A P S > S- 0 0 31 0, 0.0 4,-0.8 0, 0.0 154,-0.3 -0.440 90.8 -42.7 -68.1 82.6 134.3 44.2 35.8 102 114 A G H > S- 0 0 0 -2,-1.5 4,-1.1 152,-0.5 154,-0.3 -0.090 80.5 -73.8 83.6 167.9 134.6 42.2 32.5 103 115 A G H > S+ 0 0 7 152,-0.2 4,-1.2 2,-0.2 3,-0.2 0.887 135.9 55.6 -64.8 -35.9 132.3 42.4 29.5 104 116 A T H >> S+ 0 0 43 1,-0.2 4,-2.5 2,-0.2 3,-1.0 0.939 104.1 56.5 -57.4 -46.1 129.5 40.5 31.4 105 117 A G H 3X S+ 0 0 15 -4,-0.8 4,-1.4 1,-0.3 -1,-0.2 0.856 106.3 49.6 -50.7 -37.5 129.9 43.2 34.1 106 118 A A H 3X S+ 0 0 0 -4,-1.1 4,-1.6 2,-0.2 -1,-0.3 0.727 108.6 51.7 -74.9 -26.0 129.2 45.8 31.4 107 119 A L H X S+ 0 0 5 -4,-2.6 4,-1.8 2,-0.2 3,-0.8 0.989 114.6 51.5 -60.9 -58.4 118.0 50.3 31.0 115 127 A A H 3< S+ 0 0 40 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.791 121.2 34.2 -50.8 -32.4 115.6 48.3 33.3 116 128 A K H 3< S+ 0 0 162 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.630 127.6 28.2-100.8 -16.1 115.4 51.2 35.8 117 129 A N H << S+ 0 0 63 -4,-1.9 2,-0.2 -3,-0.8 -3,-0.2 0.452 111.9 55.6-128.3 -1.9 115.6 54.5 33.8 118 130 A T S < S- 0 0 61 -4,-1.8 54,-0.0 -5,-0.3 -4,-0.0 -0.588 82.1-115.1-127.0 172.8 114.2 53.7 30.4 119 131 A S + 0 0 101 -2,-0.2 53,-0.1 -3,-0.0 -4,-0.1 0.372 68.6 136.1 -92.0 2.9 110.9 52.3 29.2 120 132 A V + 0 0 13 -6,-0.2 -2,-0.2 1,-0.2 53,-0.1 -0.311 16.7 158.1 -65.5 130.1 112.7 49.1 27.8 121 133 A K + 0 0 137 51,-0.6 22,-1.0 1,-0.2 2,-0.3 0.637 57.7 37.9-122.9 -38.5 111.1 45.9 28.5 122 134 A R E -d 143 0C 62 50,-0.4 52,-1.8 20,-0.2 2,-0.4 -0.919 56.9-161.8-115.0 146.7 112.3 43.3 25.9 123 135 A V E -de 144 174C 1 20,-1.6 22,-2.5 -2,-0.3 2,-0.6 -0.989 14.8-141.4-119.2 143.7 115.8 42.7 24.4 124 136 A W E +de 145 175C 10 50,-2.6 52,-2.6 -2,-0.4 2,-0.3 -0.892 23.5 177.9 -98.9 118.7 116.3 40.6 21.1 125 137 A V E -d 146 0C 9 20,-2.7 22,-1.9 -2,-0.6 4,-0.1 -0.780 32.2 -95.5-116.1 159.7 119.4 38.4 21.1 126 138 A S E -d 147 0C 3 -2,-0.3 22,-0.2 50,-0.2 23,-0.1 -0.278 36.5-101.6 -74.7 159.8 120.4 36.0 18.3 127 139 A N E S+d 148 0C 76 20,-1.6 23,-1.3 1,-0.2 22,-0.6 -0.932 114.0 27.5-122.0 105.4 119.6 32.3 18.0 128 140 A P S S+ 0 0 21 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.566 92.7 145.0 -86.0 166.9 122.2 31.0 18.7 129 141 A S - 0 0 19 -2,-0.1 -4,-0.0 -4,-0.1 -2,-0.0 -0.879 60.5 -60.8-145.2 179.8 123.9 33.3 21.1 130 142 A W > - 0 0 56 53,-0.3 3,-2.0 -2,-0.3 4,-0.3 -0.622 50.5-136.4 -62.2 117.8 126.2 33.3 24.2 131 143 A P T >> S+ 0 0 68 0, 0.0 3,-0.9 0, 0.0 4,-0.6 0.787 97.3 64.4 -55.7 -32.6 123.9 31.5 26.8 132 144 A N H 3> S+ 0 0 48 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.680 83.5 79.0 -73.0 -9.2 124.8 33.9 29.7 133 145 A H H <> S+ 0 0 2 -3,-2.0 4,-1.9 1,-0.2 5,-0.3 0.932 89.2 53.8 -55.3 -48.1 123.1 36.7 27.8 134 146 A K H <> S+ 0 0 109 -3,-0.9 4,-2.8 -4,-0.3 -1,-0.2 0.891 110.8 47.5 -55.8 -38.0 119.5 35.5 28.9 135 147 A S H X S+ 0 0 52 -4,-0.6 4,-2.5 2,-0.2 -1,-0.2 0.852 109.5 49.2 -73.9 -41.3 120.5 35.5 32.6 136 148 A V H X S+ 0 0 9 -4,-1.8 4,-1.0 2,-0.2 -2,-0.2 0.996 119.0 40.3 -62.0 -59.0 122.1 38.9 32.8 137 149 A F H <>S+ 0 0 0 -4,-1.9 5,-1.9 1,-0.2 3,-0.5 0.848 115.3 50.2 -60.2 -39.0 119.1 40.4 31.0 138 150 A N H ><5S+ 0 0 52 -4,-2.8 3,-1.9 -5,-0.3 -1,-0.2 0.930 104.6 59.3 -68.9 -37.2 116.5 38.4 33.0 139 151 A S H 3<5S+ 0 0 61 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.773 100.4 56.6 -61.1 -23.7 118.1 39.3 36.3 140 152 A A T 3<5S- 0 0 12 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.081 127.2-101.4 -89.9 22.3 117.4 43.0 35.4 141 153 A G T < 5S+ 0 0 71 -3,-1.9 2,-0.4 1,-0.2 -3,-0.2 0.481 84.9 127.0 72.8 1.0 113.7 42.1 35.1 142 154 A L < - 0 0 6 -5,-1.9 2,-0.2 -6,-0.2 -1,-0.2 -0.764 52.3-140.4 -95.8 130.2 113.9 42.1 31.2 143 155 A E E -d 122 0C 128 -22,-1.0 -20,-1.6 -2,-0.4 2,-0.4 -0.627 20.1-130.0 -86.1 153.8 112.6 39.1 29.2 144 156 A V E -d 123 0C 24 -2,-0.2 2,-0.3 -22,-0.2 -20,-0.2 -0.843 19.7-170.6-109.8 140.3 114.6 38.0 26.2 145 157 A R E -d 124 0C 106 -22,-2.5 -20,-2.7 -2,-0.4 2,-0.4 -0.721 17.1-128.0-119.2 165.5 113.4 37.3 22.7 146 158 A E E -d 125 0C 109 -2,-0.3 2,-0.4 -22,-0.2 -20,-0.2 -0.969 9.5-159.4-130.5 138.1 115.2 35.7 19.8 147 159 A Y E -d 126 0C 3 -22,-1.9 -20,-1.6 -2,-0.4 15,-0.2 -0.901 35.4-104.0-110.7 138.6 115.8 36.7 16.2 148 160 A A E +d 127 0C 20 13,-0.5 17,-0.1 -2,-0.4 18,-0.1 -0.164 51.2 150.0 -56.0 154.1 116.8 34.1 13.6 149 161 A Y S S- 0 0 9 -22,-0.6 9,-2.6 -23,-0.1 -1,-0.2 0.334 74.2 -2.9-154.1 -46.9 120.5 34.1 12.6 150 162 A Y + 0 0 24 -23,-1.3 2,-1.9 7,-0.2 6,-0.3 0.758 53.2 175.6-123.2 -51.0 121.6 30.6 11.5 151 163 A D - 0 0 102 -24,-0.6 2,-0.1 2,-0.1 -1,-0.1 -0.646 59.3-106.3 64.1 -79.8 118.9 27.9 11.9 152 164 A A S >> S+ 0 0 46 -2,-1.9 3,-1.6 4,-0.1 4,-0.6 -0.528 83.7 96.2 177.0 -98.0 121.5 25.6 10.2 153 165 A E T 34 S+ 0 0 175 1,-0.3 -2,-0.1 2,-0.1 -3,-0.0 0.061 94.0 35.7 22.3 -90.3 121.6 24.1 6.6 154 166 A N T 34 S- 0 0 138 -4,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.512 102.1-125.5 -61.0 -9.7 123.9 26.3 4.4 155 167 A H T <4 S+ 0 0 49 -3,-1.6 2,-0.2 1,-0.2 -2,-0.1 0.803 75.7 97.3 62.1 36.4 126.2 26.9 7.4 156 168 A T S < S- 0 0 70 -4,-0.6 2,-0.5 -6,-0.3 -1,-0.2 -0.616 86.6 -64.8-135.5-171.5 125.8 30.6 6.9 157 169 A L - 0 0 14 -2,-0.2 2,-1.5 -3,-0.1 -7,-0.2 -0.781 39.5-144.0 -81.8 129.2 123.9 33.8 8.1 158 170 A D > - 0 0 61 -9,-2.6 4,-1.6 -2,-0.5 3,-0.1 -0.648 25.9-179.6 -90.0 77.9 120.2 33.4 7.1 159 171 A F H > S+ 0 0 34 -2,-1.5 4,-1.6 1,-0.2 3,-0.3 0.880 72.5 46.7 -54.4 -52.9 119.8 37.2 6.3 160 172 A D H > S+ 0 0 119 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.872 110.8 53.0 -55.9 -45.1 116.1 37.3 5.3 161 173 A A H > S+ 0 0 25 1,-0.2 4,-1.3 2,-0.2 -13,-0.5 0.877 106.7 52.6 -63.1 -32.3 115.0 35.1 8.3 162 174 A L H X S+ 0 0 1 -4,-1.6 4,-1.9 -3,-0.3 -2,-0.2 0.919 116.2 40.0 -68.5 -37.7 116.7 37.5 10.8 163 175 A I H X S+ 0 0 35 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.947 112.3 52.4 -76.3 -48.8 114.9 40.5 9.3 164 176 A N H < S+ 0 0 119 -4,-2.7 4,-0.2 1,-0.2 -1,-0.2 0.805 117.9 42.9 -55.5 -25.7 111.5 38.8 8.8 165 177 A S H >< S+ 0 0 27 -4,-1.3 3,-1.1 -5,-0.3 -2,-0.2 0.813 107.6 58.0 -90.0 -29.8 111.9 37.9 12.5 166 178 A L H >< S+ 0 0 0 -4,-1.9 3,-1.7 1,-0.2 -2,-0.2 0.765 89.9 73.6 -73.6 -21.8 113.2 41.3 13.6 167 179 A N T 3< S+ 0 0 72 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.1 0.766 82.2 70.2 -60.1 -24.3 110.1 43.0 12.3 168 180 A E T < S+ 0 0 143 -3,-1.1 2,-0.3 -4,-0.2 -1,-0.3 0.428 82.2 97.2 -69.9 1.0 108.2 41.6 15.3 169 181 A A < - 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0 0 4 5,-0.8 4,-3.2 -4,-0.3 5,-0.1 0.235 36.4-116.1 -2.1 122.4 129.3 35.8 16.7 183 195 A N T 4 S+ 0 0 10 1,-0.3 -53,-0.3 2,-0.2 -1,-0.1 -0.938 101.5 14.6-105.8 114.5 129.6 33.5 19.7 184 196 A P T 4 S+ 0 0 10 0, 0.0 -1,-0.3 0, 0.0 191,-0.2 -0.955 133.3 37.2-107.3 -2.6 128.9 30.6 19.0 185 197 A T T 4 S- 0 0 1 -57,-0.2 165,-0.5 164,-0.1 -2,-0.2 0.600 77.7-136.0 -88.2 -18.2 128.9 30.5 15.3 186 198 A G < + 0 0 0 -4,-3.2 159,-2.7 1,-0.2 2,-0.4 0.459 57.1 144.3 68.9 5.3 131.8 32.7 14.1 187 199 A I - 0 0 4 157,-0.2 -5,-0.8 -5,-0.1 -1,-0.2 -0.699 31.3-157.7 -91.7 126.7 129.3 34.1 11.5 188 200 A D - 0 0 36 -2,-0.4 2,-0.4 -7,-0.2 -1,-0.1 -0.077 23.7-121.3 -60.7 162.8 129.4 37.8 10.4 189 201 A P - 0 0 12 0, 0.0 2,-0.2 0, 0.0 -8,-0.1 -0.916 39.2-125.5 -81.9 141.5 127.4 40.3 8.9 190 202 A T >> - 0 0 70 -2,-0.4 4,-2.5 1,-0.1 3,-0.7 -0.544 29.1-105.3 -68.0 158.8 129.2 41.5 5.9 191 203 A L H 3> S+ 0 0 89 1,-0.3 4,-1.6 2,-0.2 5,-0.1 0.803 124.6 55.6 -54.6 -29.8 129.8 45.3 5.9 192 204 A E H 3> S+ 0 0 153 2,-0.2 4,-1.5 1,-0.2 -1,-0.3 0.838 110.3 44.9 -79.2 -26.3 127.0 45.6 3.3 193 205 A Q H <> S+ 0 0 39 -3,-0.7 4,-2.2 2,-0.2 -2,-0.2 0.874 108.7 54.5 -80.2 -39.7 124.6 43.8 5.7 194 206 A W H X S+ 0 0 16 -4,-2.5 4,-1.6 2,-0.2 -2,-0.2 0.850 111.9 47.1 -56.8 -37.9 125.7 45.9 8.8 195 207 A Q H X S+ 0 0 103 -4,-1.6 4,-1.6 -5,-0.3 -2,-0.2 0.912 110.8 50.9 -69.6 -38.8 124.8 48.9 6.6 196 208 A T H X S+ 0 0 71 -4,-1.5 4,-0.8 1,-0.2 -2,-0.2 0.813 115.3 43.2 -68.4 -27.7 121.5 47.2 5.6 197 209 A L H X S+ 0 0 1 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.736 106.0 60.7 -86.8 -28.0 120.8 46.6 9.4 198 210 A A H X S+ 0 0 1 -4,-1.6 4,-1.2 2,-0.2 -2,-0.2 0.906 107.6 45.7 -67.5 -42.0 121.9 50.0 10.7 199 211 A Q H X S+ 0 0 87 -4,-1.6 4,-1.6 2,-0.2 -1,-0.2 0.842 110.1 54.2 -63.0 -41.1 119.2 51.8 8.5 200 212 A L H X S+ 0 0 27 -4,-0.8 4,-1.0 1,-0.2 5,-0.3 0.919 109.6 47.1 -57.5 -49.4 116.5 49.3 9.5 201 213 A S H X>S+ 0 0 1 -4,-1.8 4,-1.5 1,-0.2 5,-0.6 0.831 109.6 54.0 -64.7 -34.7 117.1 50.0 13.2 202 214 A V H <5S+ 0 0 61 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.833 114.8 42.7 -69.4 -28.6 117.1 53.8 12.5 203 215 A E H <5S+ 0 0 135 -4,-1.6 -2,-0.2 1,-0.1 -1,-0.2 0.550 117.5 41.0 -94.9 -12.0 113.7 53.4 10.8 204 216 A K H <5S- 0 0 71 -4,-1.0 -3,-0.2 -3,-0.3 -2,-0.2 0.563 107.6-116.7-110.6 -21.7 112.0 51.0 13.2 205 217 A G T <5 + 0 0 33 -4,-1.5 -32,-0.3 -5,-0.3 -3,-0.1 0.634 55.0 156.1 95.7 15.9 113.3 52.6 16.4 206 218 A W < - 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