==== 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 TRANSFERASE 22-FEB-05 1YXU . COMPND 2 MOLECULE: PROTO-ONCOGENE SERINE/THREONINE-PROTEIN KINASE PI . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.KUMAR,V.MANDIYAN,Y.SUZUKI,C.ZHANG,J.RICE,J.TSAI,D.R.ARTIS, . 1091 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 50009.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 696 63.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 204 18.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.7 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 . 73 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 94 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 295 27.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 1.5 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 4 8 0 9 3 4 0 0 0 0 0 0 0 4 0 4 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 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 . 4 4 8 4 3 2 11 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 . 8 0 4 4 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 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 33 A P 0 0 145 0, 0.0 3,-0.2 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 119.5 9.0 70.8 43.4 2 34 A L - 0 0 130 1,-0.2 3,-0.4 2,-0.1 0, 0.0 0.043 360.0 -71.0 63.6-176.0 11.2 70.9 40.2 3 35 A E S > S+ 0 0 72 1,-0.2 3,-1.0 2,-0.1 -1,-0.2 0.488 105.6 103.8 -88.4 -4.6 10.3 72.6 36.9 4 36 A S T 3 + 0 0 75 1,-0.3 -1,-0.2 -3,-0.2 -2,-0.1 0.490 55.5 88.2 -54.1 -7.3 7.6 69.9 36.3 5 37 A Q T 3 S+ 0 0 59 -3,-0.4 21,-0.8 1,-0.1 22,-0.7 0.284 83.5 68.4 -75.2 9.8 5.1 72.6 37.3 6 38 A Y E < -A 25 0A 19 -3,-1.0 2,-0.2 19,-0.2 19,-0.2 -0.965 65.5-155.4-140.8 123.5 5.1 73.6 33.6 7 39 A Q E -A 24 0A 124 17,-1.4 17,-1.5 -2,-0.4 2,-0.6 -0.560 34.6-120.7 -81.2 153.0 3.8 71.9 30.4 8 40 A V E -A 23 0A 81 -2,-0.2 15,-0.3 15,-0.2 14,-0.1 -0.894 26.0-167.2-113.6 116.4 5.6 73.2 27.3 9 41 A G E - 0 0 28 13,-2.2 2,-0.2 -2,-0.6 14,-0.1 0.419 39.5 -66.2 -69.8-156.7 3.9 74.9 24.4 10 42 A P E - 0 0 68 0, 0.0 12,-2.8 0, 0.0 -1,-0.2 -0.582 59.9 -82.9 -95.1 168.6 5.5 75.7 21.0 11 43 A L E -A 21 0A 28 10,-0.2 10,-0.2 -2,-0.2 3,-0.1 -0.235 32.3-169.6 -66.4 155.9 8.3 78.0 20.2 12 44 A L E - 0 0 98 8,-2.3 2,-0.2 1,-0.3 9,-0.2 0.571 62.1 -41.9-119.5 -18.1 7.4 81.7 19.8 13 45 A G E -A 20 0A 30 7,-0.8 7,-1.6 2,-0.0 -1,-0.3 -0.613 48.5-131.8 154.5 142.8 10.7 83.1 18.4 14 46 A S E +A 19 0A 47 -2,-0.2 2,-0.3 5,-0.2 5,-0.2 -0.735 42.6 109.5-110.4 162.2 14.5 82.9 18.8 15 47 A G S S- 0 0 20 3,-1.8 424,-0.1 -2,-0.3 -2,-0.0 -0.959 79.9 -39.8 170.3-155.6 17.1 85.7 19.1 16 48 A G S S+ 0 0 69 -2,-0.3 3,-0.1 1,-0.2 -2,-0.0 0.626 128.3 61.5 -75.6 -17.1 19.5 87.5 21.4 17 49 A F S S- 0 0 62 1,-0.2 2,-0.4 20,-0.0 -1,-0.2 0.866 114.2-118.4 -73.5 -39.1 16.9 87.3 24.1 18 50 A G - 0 0 3 19,-0.1 -3,-1.8 2,-0.1 2,-0.4 -0.981 47.9 -36.9 143.1-128.4 17.1 83.4 23.9 19 51 A S E -AB 14 36A 3 17,-1.4 17,-1.9 -2,-0.4 2,-0.4 -0.917 55.9-162.6-140.0 106.7 14.4 80.9 23.1 20 52 A V E -AB 13 35A 29 -7,-1.6 -8,-2.3 -2,-0.4 -7,-0.8 -0.778 7.4-168.6 -99.8 139.5 10.9 81.7 24.3 21 53 A Y E -AB 11 34A 22 13,-2.3 13,-3.1 -2,-0.4 -10,-0.2 -0.946 25.8-115.7-131.5 141.8 8.2 79.1 24.5 22 54 A S E + B 0 33A 15 -12,-2.8 -13,-2.2 -2,-0.3 2,-0.3 -0.412 46.1 177.0 -65.3 153.4 4.4 79.0 25.1 23 55 A G E -AB 8 32A 0 9,-1.4 9,-1.5 -15,-0.3 2,-0.3 -0.973 32.1-143.9-158.3 162.4 3.6 77.2 28.3 24 56 A I E -AB 7 31A 64 -17,-1.5 -17,-1.4 -2,-0.3 2,-0.3 -0.804 20.8-140.0-140.1 90.5 0.7 76.2 30.6 25 57 A R E > > -AB 6 30A 55 5,-1.9 5,-1.0 -2,-0.3 3,-0.8 -0.382 14.9-155.8 -49.9 110.0 1.6 76.3 34.3 26 58 A V T 3 5S+ 0 0 89 -21,-0.8 -1,-0.2 -2,-0.3 -20,-0.1 0.589 80.0 80.7 -73.3 -12.9 -0.3 73.1 35.4 27 59 A S T 3 5S- 0 0 87 -22,-0.7 -1,-0.2 1,-0.2 -21,-0.1 0.926 125.6 -4.9 -58.7 -42.1 -0.7 74.2 39.0 28 60 A D T < 5S- 0 0 84 -3,-0.8 -2,-0.2 2,-0.1 -1,-0.2 -0.006 98.9-104.4-141.7 31.3 -3.7 76.4 37.9 29 61 A N T 5 + 0 0 128 -4,-0.4 -3,-0.2 1,-0.2 -4,-0.1 0.691 66.2 161.9 50.7 23.0 -3.8 76.0 34.1 30 62 A L E < -B 25 0A 53 -5,-1.0 -5,-1.9 -6,-0.1 2,-0.5 -0.493 42.5-116.1 -74.5 137.6 -2.3 79.6 33.8 31 63 A P E +B 24 0A 47 0, 0.0 59,-1.7 0, 0.0 2,-0.3 -0.639 44.1 168.1 -73.6 119.0 -0.7 80.6 30.5 32 64 A V E -BC 23 89A 0 -9,-1.5 -9,-1.4 -2,-0.5 2,-0.4 -0.851 31.0-133.1-126.0 166.6 3.0 81.3 30.8 33 65 A A E -BC 22 88A 11 55,-3.3 55,-2.8 -2,-0.3 2,-0.6 -0.947 18.3-149.2-115.2 138.1 6.1 81.9 28.5 34 66 A I E -BC 21 87A 7 -13,-3.1 -13,-2.3 -2,-0.4 2,-0.6 -0.941 10.2-166.5-116.1 121.1 9.3 80.1 29.2 35 67 A K E -BC 20 86A 9 51,-1.9 51,-2.6 -2,-0.6 2,-0.4 -0.927 4.1-159.4-111.0 122.8 12.5 81.8 28.3 36 68 A H E -BC 19 85A 8 -17,-1.9 -17,-1.4 -2,-0.6 2,-0.4 -0.819 10.1-175.1-100.1 133.6 15.7 79.8 28.2 37 69 A V E - C 0 84A 6 47,-1.3 47,-2.8 -2,-0.4 -19,-0.1 -0.959 21.1-131.2-136.0 114.6 18.9 81.9 28.5 38 70 A E E - C 0 83A 28 -2,-0.4 45,-0.3 45,-0.3 3,-0.3 -0.354 8.2-137.0 -66.4 142.3 22.3 80.2 28.1 39 71 A K S > S+ 0 0 60 43,-3.5 3,-1.5 1,-0.2 44,-0.1 0.897 103.1 59.4 -63.4 -40.2 24.9 81.0 30.8 40 72 A D T 3 S+ 0 0 124 42,-0.5 -1,-0.2 1,-0.3 43,-0.1 0.789 104.1 48.7 -59.2 -36.5 27.5 81.3 28.0 41 73 A R T 3 S+ 0 0 101 -3,-0.3 2,-0.5 2,-0.0 -1,-0.3 0.259 87.7 99.5 -94.1 7.9 25.7 84.1 26.2 42 74 A I < + 0 0 27 -3,-1.5 3,-0.1 1,-0.2 -5,-0.0 -0.865 36.2 166.3 -96.5 129.3 25.1 86.3 29.3 43 75 A S + 0 0 103 -2,-0.5 2,-0.5 1,-0.2 -1,-0.2 0.741 61.2 65.7-105.8 -45.1 27.6 89.2 29.6 44 76 A D + 0 0 68 112,-0.2 12,-1.8 114,-0.0 13,-0.3 -0.754 64.5 174.1 -89.7 122.0 25.8 91.3 32.2 45 77 A W E +E 55 0B 62 -2,-0.5 2,-0.3 10,-0.2 8,-0.1 -0.665 5.2 157.9-117.7 172.0 25.4 89.8 35.7 46 78 A G E -E 54 0B 16 8,-1.9 8,-1.2 -2,-0.2 2,-0.3 -0.859 29.5-100.0-167.8-161.2 24.2 91.0 39.1 47 79 A E E -E 53 0B 136 -2,-0.3 6,-0.2 6,-0.2 -2,-0.0 -1.000 17.7-119.9-150.3 150.7 22.7 89.9 42.4 48 80 A L > - 0 0 11 4,-1.8 3,-3.5 -2,-0.3 4,-0.2 -0.488 42.4-102.9 -80.7 152.6 19.5 89.4 44.4 49 81 A P T 3 S+ 0 0 142 0, 0.0 -1,-0.1 0, 0.0 10,-0.0 0.816 125.7 58.9 -42.9 -35.4 18.9 91.2 47.7 50 82 A N T 3 S- 0 0 120 2,-0.1 -3,-0.0 1,-0.0 -2,-0.0 0.541 123.4-106.7 -73.9 -8.7 19.7 87.8 49.3 51 83 A G < + 0 0 49 -3,-3.5 2,-0.3 1,-0.3 -1,-0.0 0.738 68.3 143.1 92.8 26.5 23.2 87.8 47.6 52 84 A T - 0 0 53 -4,-0.2 -4,-1.8 1,-0.0 2,-0.6 -0.764 51.6-119.1 -99.2 145.1 22.8 85.2 44.8 53 85 A R E +E 47 0B 157 -2,-0.3 -6,-0.2 -6,-0.2 3,-0.0 -0.737 48.6 151.2 -87.8 115.2 24.5 85.6 41.4 54 86 A V E -E 46 0B 0 -8,-1.2 -8,-1.9 -2,-0.6 2,-0.1 -0.815 52.9 -75.3-133.6 171.6 21.9 85.7 38.6 55 87 A P E >> -E 45 0B 4 0, 0.0 4,-1.5 0, 0.0 3,-1.0 -0.446 44.8-118.3 -66.0 146.8 21.6 87.2 35.1 56 88 A M H 3> S+ 0 0 26 -12,-1.8 4,-2.8 1,-0.2 5,-0.2 0.833 112.1 70.3 -55.4 -31.3 20.9 91.0 35.3 57 89 A E H 3> S+ 0 0 18 -13,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.884 100.3 44.6 -51.6 -45.6 17.6 90.2 33.5 58 90 A V H <> S+ 0 0 0 -3,-1.0 4,-2.4 2,-0.2 5,-0.2 0.934 110.8 53.1 -65.1 -49.8 16.3 88.4 36.7 59 91 A V H X S+ 0 0 13 -4,-1.5 4,-1.6 1,-0.2 -2,-0.2 0.937 113.2 44.6 -52.2 -47.5 17.5 91.2 39.0 60 92 A L H X S+ 0 0 0 -4,-2.8 4,-1.1 1,-0.2 -1,-0.2 0.896 112.1 49.9 -65.2 -47.4 15.6 93.8 36.9 61 93 A L H X S+ 0 0 3 -4,-2.2 4,-0.7 -5,-0.2 13,-0.4 0.847 107.4 54.8 -58.6 -39.5 12.4 91.8 36.4 62 94 A K H >< S+ 0 0 107 -4,-2.4 3,-1.0 1,-0.2 -1,-0.2 0.937 106.9 51.8 -64.7 -41.6 12.1 91.1 40.2 63 95 A K H 3< S+ 0 0 91 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.750 110.6 48.3 -63.8 -27.7 12.4 94.9 40.8 64 96 A V H 3< S+ 0 0 3 -4,-1.1 2,-0.6 -3,-0.3 -1,-0.2 0.451 82.4 112.9 -97.7 0.8 9.5 95.6 38.4 65 97 A S << + 0 0 40 -3,-1.0 2,-0.2 -4,-0.7 8,-0.1 -0.649 35.4 116.8 -81.7 117.2 7.0 93.0 39.6 66 98 A S S S- 0 0 49 -2,-0.6 5,-0.1 2,-0.3 -2,-0.0 -0.844 82.4 -71.0-157.0-176.5 3.8 94.5 41.2 67 99 A G S S+ 0 0 76 -2,-0.2 2,-0.4 2,-0.1 -2,-0.1 0.671 94.8 112.8 -64.4 -17.7 0.0 94.5 40.3 68 100 A F > - 0 0 72 1,-0.1 3,-0.8 -4,-0.1 -2,-0.3 -0.453 56.9-157.4 -62.1 113.7 0.7 96.8 37.4 69 101 A S T 3 S+ 0 0 43 -2,-0.4 -1,-0.1 1,-0.2 4,-0.1 0.338 72.3 93.5 -72.9 2.1 -0.0 94.9 34.1 70 102 A G T 3 S+ 0 0 6 81,-0.1 82,-2.1 51,-0.1 2,-0.4 0.568 83.7 47.9 -76.0 -15.3 2.2 97.3 32.1 71 103 A V B < S-f 152 0C 2 -3,-0.8 82,-0.2 80,-0.2 2,-0.1 -0.959 98.5-100.7-122.5 144.7 5.4 95.2 32.4 72 104 A I - 0 0 10 80,-2.3 2,-0.4 -2,-0.4 -8,-0.1 -0.480 45.9-133.3 -56.3 127.9 5.7 91.5 31.8 73 105 A R - 0 0 75 -2,-0.1 16,-1.8 -4,-0.1 2,-0.5 -0.767 5.1-134.1 -92.3 136.8 5.7 90.0 35.3 74 106 A L E +D 88 0A 17 -2,-0.4 14,-0.2 -13,-0.4 3,-0.1 -0.792 22.7 179.7 -88.4 125.0 8.3 87.4 36.3 75 107 A L E - 0 0 45 12,-1.8 2,-0.3 -2,-0.5 13,-0.2 0.747 62.2 -21.7 -95.0 -32.8 6.5 84.5 38.1 76 108 A D E -D 87 0A 57 11,-1.1 11,-2.2 2,-0.0 -1,-0.3 -0.966 52.6-150.9-165.6 169.2 9.5 82.3 38.8 77 109 A W E -D 86 0A 49 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.962 8.3-165.5-154.0 143.4 13.1 81.5 37.7 78 110 A F E -D 85 0A 42 7,-3.0 7,-1.8 -2,-0.3 2,-0.6 -0.871 18.7-129.6-126.4 159.2 15.2 78.3 37.7 79 111 A E E -D 84 0A 98 -2,-0.3 5,-0.2 5,-0.2 7,-0.0 -0.896 22.4-170.0-122.7 103.3 19.0 77.6 37.3 80 112 A R E > -D 83 0A 69 3,-3.1 3,-1.7 -2,-0.6 -41,-0.1 -0.639 42.4 -98.7 -84.2 149.1 19.9 74.9 34.8 81 113 A P T 3 S+ 0 0 107 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.764 120.9 11.0 -35.0 -47.9 23.5 73.7 34.5 82 114 A D T 3 S+ 0 0 100 1,-0.1 -43,-3.5 -43,-0.1 -42,-0.5 0.197 129.8 44.9-121.1 12.9 24.1 76.0 31.5 83 115 A S E < -CD 38 80A 17 -3,-1.7 -3,-3.1 -45,-0.3 2,-0.6 -0.998 65.1-129.5-159.9 148.6 21.1 78.1 31.4 84 116 A F E -CD 37 79A 1 -47,-2.8 -47,-1.3 -2,-0.3 2,-0.5 -0.924 29.0-154.3 -97.3 118.8 18.6 80.3 33.5 85 117 A V E -CD 36 78A 5 -7,-1.8 -7,-3.0 -2,-0.6 2,-0.4 -0.836 11.4-160.4 -96.6 132.3 15.1 79.2 32.7 86 118 A L E -CD 35 77A 1 -51,-2.6 -51,-1.9 -2,-0.5 2,-0.5 -0.892 11.0-150.3-114.2 142.5 12.6 82.0 33.3 87 119 A I E +CD 34 76A 2 -11,-2.2 -12,-1.8 -2,-0.4 -11,-1.1 -0.967 25.3 175.5-106.6 126.5 8.8 81.7 33.8 88 120 A L E -CD 33 74A 15 -55,-2.8 -55,-3.3 -2,-0.5 -14,-0.2 -0.954 35.1-100.6-132.2 151.1 6.8 84.7 32.5 89 121 A E E -C 32 0A 45 -16,-1.8 -57,-0.2 -2,-0.3 -59,-0.0 -0.355 34.2-155.7 -65.1 150.2 3.1 85.6 32.2 90 122 A R - 0 0 45 -59,-1.7 -67,-0.0 -67,-0.1 -1,-0.0 -0.946 3.1-148.9-132.9 108.6 1.8 85.3 28.7 91 123 A P - 0 0 17 0, 0.0 3,-0.2 0, 0.0 52,-0.0 -0.332 25.5-123.6 -65.0 161.2 -1.3 87.2 27.7 92 124 A E S S+ 0 0 137 1,-0.4 2,-0.2 3,-0.0 52,-0.1 -0.748 89.2 29.1-167.5 123.6 -3.6 85.5 25.0 93 125 A P S S+ 0 0 49 0, 0.0 52,-1.2 0, 0.0 53,-0.5 0.387 93.4 161.8 -72.6 153.8 -4.5 86.4 22.4 94 126 A V E +G 144 0C 58 50,-0.2 2,-0.3 -3,-0.2 50,-0.2 -0.977 24.0 175.3-142.5 151.6 -1.3 88.5 21.8 95 127 A Q E -G 143 0C 36 48,-1.3 48,-2.0 -2,-0.3 -3,-0.0 -0.944 32.0-118.6-152.7 135.7 0.7 90.2 19.1 96 128 A D E > -G 142 0C 37 -2,-0.3 4,-1.9 46,-0.2 46,-0.3 -0.307 28.5-110.9 -76.0 160.9 3.8 92.4 19.4 97 129 A L H > S+ 0 0 0 44,-2.8 4,-2.4 41,-0.9 42,-0.2 0.844 115.4 58.8 -60.7 -34.8 3.8 96.0 18.2 98 130 A F H > S+ 0 0 86 40,-0.9 4,-2.3 43,-0.3 -1,-0.2 0.911 110.2 40.5 -58.7 -49.5 6.2 95.2 15.4 99 131 A D H > S+ 0 0 74 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.813 112.5 57.3 -70.4 -30.5 3.9 92.6 13.8 100 132 A F H X S+ 0 0 4 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.917 112.3 40.4 -67.2 -40.4 1.0 94.8 14.5 101 133 A I H X S+ 0 0 6 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.879 109.6 59.4 -75.3 -38.5 2.6 97.7 12.5 102 134 A T H < S+ 0 0 96 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.940 116.3 34.0 -54.5 -46.5 3.9 95.3 9.8 103 135 A E H < S+ 0 0 143 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.893 129.2 32.8 -76.3 -43.5 0.3 94.2 9.1 104 136 A R H < S- 0 0 121 -4,-2.1 -3,-0.2 1,-0.2 -2,-0.2 0.608 92.5-150.9 -96.0 -12.3 -1.6 97.4 9.7 105 137 A G < + 0 0 29 -4,-2.9 101,-0.2 -5,-0.2 -1,-0.2 -0.313 59.1 7.2 74.1-161.7 0.9 100.0 8.6 106 138 A A S S- 0 0 34 99,-0.3 2,-0.3 98,-0.1 98,-0.2 -0.200 82.1-125.5 -48.6 138.2 1.0 103.5 10.1 107 139 A L - 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0 0 15 -2,-0.3 -9,-0.1 1,-0.1 -10,-0.1 -0.387 32.8-131.8 -74.6 154.1 11.6 104.1 12.0 209 241 A P S S+ 0 0 14 0, 0.0 2,-0.4 0, 0.0 13,-0.2 0.837 84.6 40.6 -77.1 -34.0 13.0 107.5 11.0 210 242 A F + 0 0 2 -36,-0.3 3,-0.1 1,-0.1 -2,-0.1 -0.908 43.3 167.8-122.3 144.1 16.7 106.6 10.8 211 243 A E + 0 0 108 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.589 67.0 54.6-118.3 -25.8 18.5 103.6 9.5 212 244 A H S >> S- 0 0 127 1,-0.1 4,-1.6 -38,-0.1 3,-1.0 -0.830 81.2-115.8-120.0 151.4 22.2 104.8 9.4 213 245 A D H 3> S+ 0 0 61 -2,-0.3 4,-2.4 1,-0.3 3,-0.2 0.857 113.9 54.1 -44.2 -46.9 24.6 106.3 11.9 214 246 A E H 3> S+ 0 0 144 1,-0.3 4,-1.8 2,-0.2 -1,-0.3 0.817 106.0 52.1 -64.5 -35.3 24.8 109.6 9.9 215 247 A E H <> S+ 0 0 77 -3,-1.0 4,-1.2 2,-0.2 5,-0.5 0.854 109.6 48.9 -68.8 -39.2 21.1 110.1 10.0 216 248 A I H >< S+ 0 0 2 -4,-1.6 3,-0.8 -3,-0.2 -2,-0.2 0.972 112.9 47.3 -62.8 -54.2 20.9 109.6 13.8 217 249 A I H 3< S+ 0 0 63 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.837 113.2 48.3 -54.9 -40.1 23.8 112.1 14.3 218 250 A R H 3< S- 0 0 171 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.691 89.3-159.2 -76.5 -23.8 22.1 114.7 12.0 219 251 A G << + 0 0 16 -4,-1.2 2,-0.6 -3,-0.8 -3,-0.1 0.635 30.0 155.4 50.6 27.1 18.8 114.2 13.7 220 252 A Q - 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0 0 107 -5,-0.5 2,-0.6 2,-0.0 -1,-0.2 -0.752 32.9-150.4 -88.6 105.9 7.5 72.2 -1.9 495 253 B V - 0 0 3 -2,-0.8 2,-0.5 -3,-0.1 15,-0.1 -0.689 13.4-172.2 -87.4 116.3 6.9 68.5 -1.7 496 254 B F - 0 0 154 -2,-0.6 2,-0.5 -13,-0.2 -2,-0.0 -0.898 17.0-138.9-105.2 132.6 6.3 66.6 -5.0 497 255 B F - 0 0 24 -2,-0.5 4,-0.1 1,-0.1 -18,-0.0 -0.780 19.1-178.9 -97.1 125.2 5.2 62.9 -4.8 498 256 B R + 0 0 116 -2,-0.5 2,-0.3 -17,-0.1 -1,-0.1 0.581 69.9 44.8 -98.0 -15.6 6.8 60.6 -7.3 499 257 B Q S S- 0 0 98 0, 0.0 2,-0.3 0, 0.0 -20,-0.1 -0.846 101.3 -86.0-121.4 163.6 5.0 57.4 -6.2 500 258 B R + 0 0 197 -2,-0.3 2,-0.3 -21,-0.0 -2,-0.1 -0.572 56.6 170.4 -65.6 125.7 1.4 56.8 -5.4 501 259 B V - 0 0 2 -2,-0.3 -4,-0.1 -4,-0.1 5,-0.0 -0.984 35.8-105.4-143.9 133.3 1.0 57.7 -1.7 502 260 B S > - 0 0 25 -2,-0.3 4,-2.4 1,-0.1 3,-0.3 -0.088 29.3-116.3 -56.6 154.3 -2.3 58.0 0.3 503 261 B S H > S+ 0 0 94 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.873 114.3 54.9 -62.0 -37.0 -3.5 61.5 1.2 504 262 B E H > S+ 0 0 103 2,-0.2 4,-1.7 1,-0.2 27,-0.3 0.841 110.7 44.5 -69.1 -30.8 -3.1 60.8 4.9 505 263 B C H > S+ 0 0 0 -3,-0.3 4,-2.8 2,-0.2 5,-0.2 0.933 112.9 50.8 -76.4 -46.7 0.6 59.9 4.5 506 264 B Q H X S+ 0 0 54 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.864 110.7 51.9 -55.4 -36.9 1.2 62.8 2.1 507 265 B H H X S+ 0 0 107 -4,-2.1 4,-1.8 -5,-0.2 -1,-0.2 0.933 109.1 47.5 -70.2 -43.0 -0.5 65.0 4.8 508 266 B L H X S+ 0 0 0 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.921 112.1 51.1 -63.4 -43.2 1.8 63.7 7.6 509 267 B I H X S+ 0 0 0 -4,-2.8 4,-1.6 1,-0.2 -1,-0.2 0.903 110.7 47.8 -60.2 -44.2 4.9 64.2 5.5 510 268 B R H < S+ 0 0 99 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.835 109.9 52.9 -68.1 -33.5 3.9 67.8 4.6 511 269 B W H >< S+ 0 0 79 -4,-1.8 3,-1.4 1,-0.2 -2,-0.2 0.925 109.1 49.2 -65.7 -44.7 3.2 68.5 8.3 512 270 B C H 3< S+ 0 0 0 -4,-2.3 -41,-0.2 1,-0.3 -2,-0.2 0.835 112.1 50.2 -60.5 -35.5 6.7 67.3 9.3 513 271 B L T 3< S+ 0 0 6 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 -0.090 75.5 148.6 -98.3 32.0 8.2 69.4 6.6 514 272 B A < - 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0 0 84 -2,-0.3 4,-1.8 -22,-0.2 5,-0.2 -0.897 30.8-121.1-111.5 144.1 -21.4 61.2 71.5 1009 220 D G H > S+ 0 0 1 -26,-0.5 4,-2.1 -24,-0.4 -54,-0.1 0.858 102.5 41.4 -50.7 -55.8 -18.4 63.4 72.1 1010 221 D R H > S+ 0 0 101 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.929 117.4 45.0 -64.3 -51.0 -15.4 61.0 72.1 1011 222 D S H > S+ 0 0 21 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.831 115.0 50.9 -65.3 -30.2 -16.4 58.9 69.2 1012 223 D A H X S+ 0 0 12 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.866 109.0 50.6 -71.6 -38.6 -17.3 62.1 67.3 1013 224 D A H X S+ 0 0 7 -4,-2.1 4,-2.0 -5,-0.2 -2,-0.2 0.918 108.5 52.2 -66.4 -42.5 -14.0 63.6 68.1 1014 225 D V H X S+ 0 0 3 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.843 106.3 53.4 -62.5 -38.8 -12.2 60.4 66.8 1015 226 D W H X S+ 0 0 0 -4,-1.5 4,-1.5 2,-0.2 3,-0.4 0.944 109.7 47.9 -61.4 -47.4 -14.1 60.5 63.5 1016 227 D S H X S+ 0 0 9 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.860 108.0 55.9 -60.5 -37.0 -13.0 64.1 63.0 1017 228 D L H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.827 104.9 53.0 -63.3 -35.1 -9.4 63.1 63.8 1018 229 D G H X S+ 0 0 0 -4,-1.6 4,-2.4 -3,-0.4 -1,-0.2 0.842 108.5 48.8 -68.5 -36.5 -9.6 60.4 61.0 1019 230 D I H X S+ 0 0 0 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.913 112.2 50.5 -66.7 -41.9 -10.6 63.1 58.5 1020 231 D L H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.880 110.9 47.5 -64.8 -42.5 -7.7 65.2 59.8 1021 232 D L H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.927 111.9 48.5 -66.0 -47.3 -5.3 62.4 59.4 1022 233 D Y H X S+ 0 0 1 -4,-2.4 4,-1.6 1,-0.2 6,-0.4 0.897 111.8 52.8 -54.8 -42.1 -6.5 61.5 55.9 1023 234 D D H X S+ 0 0 4 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.890 108.7 49.0 -63.5 -41.1 -6.2 65.2 55.1 1024 235 D M H < S+ 0 0 0 -4,-2.1 -96,-2.7 1,-0.2 -2,-0.2 0.930 118.4 37.8 -65.7 -46.7 -2.6 65.3 56.4 1025 236 D V H < S+ 0 0 5 -4,-2.4 -2,-0.2 -98,-0.2 -1,-0.2 0.589 127.9 33.1 -86.1 -9.0 -1.5 62.3 54.3 1026 237 D C H < S- 0 0 2 -4,-1.6 -99,-0.3 2,-0.2 -3,-0.2 0.522 100.3-121.4-119.5 -12.5 -3.5 63.0 51.2 1027 238 D G S < S+ 0 0 13 -4,-1.9 2,-0.3 -5,-0.3 -4,-0.2 0.399 86.7 51.1 85.3 -0.2 -3.5 66.8 51.1 1028 239 D D S S- 0 0 84 -6,-0.4 -2,-0.2 -9,-0.1 -1,-0.1 -0.968 91.2 -88.8-158.1 164.3 -7.3 67.0 51.2 1029 240 D I - 0 0 19 -2,-0.3 -9,-0.1 1,-0.1 -10,-0.1 -0.507 30.4-134.8 -77.6 149.4 -10.4 65.7 53.0 1030 241 D P S S+ 0 0 12 0, 0.0 2,-0.4 0, 0.0 13,-0.1 0.864 84.2 47.6 -75.3 -34.0 -11.9 62.4 51.9 1031 242 D F + 0 0 3 -36,-0.3 3,-0.1 1,-0.1 -2,-0.1 -0.900 41.9 161.2-117.7 141.5 -15.5 63.5 51.9 1032 243 D E + 0 0 115 -2,-0.4 2,-0.3 1,-0.1 -1,-0.1 0.472 67.2 53.3-125.2 -19.4 -17.3 66.6 50.6 1033 244 D H S > S- 0 0 117 1,-0.1 4,-1.6 -38,-0.1 3,-0.4 -0.830 81.9-114.5-121.1 161.2 -21.0 65.4 50.5 1034 245 D D H > S+ 0 0 53 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.912 114.0 54.7 -54.3 -46.9 -23.5 63.9 52.9 1035 246 D E H > S+ 0 0 125 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.788 106.0 52.8 -63.1 -31.8 -23.7 60.6 51.0 1036 247 D E H >>S+ 0 0 69 -3,-0.4 4,-1.4 2,-0.2 5,-0.5 0.902 109.7 46.9 -70.2 -43.8 -20.0 60.1 51.1 1037 248 D I H <5S+ 0 0 1 -4,-1.6 3,-0.2 1,-0.2 -2,-0.2 0.941 115.3 46.7 -63.3 -46.5 -19.8 60.5 54.9 1038 249 D I H <5S+ 0 0 50 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.795 111.6 50.0 -65.8 -32.5 -22.7 58.1 55.3 1039 250 D R H <5S- 0 0 72 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.755 90.6-157.7 -77.1 -26.1 -21.3 55.5 52.9 1040 251 D G T <5 + 0 0 15 -4,-1.4 2,-0.5 -3,-0.2 -3,-0.1 0.686 32.6 153.2 56.5 24.6 -18.0 55.8 54.8 1041 252 D Q < - 0 0 43 -5,-0.5 2,-0.7 -426,-0.1 -1,-0.2 -0.763 31.3-153.1 -88.5 125.0 -15.9 54.5 51.8 1042 253 D V - 0 0 5 -2,-0.5 2,-0.5 -3,-0.1 -426,-0.1 -0.881 12.3-174.7-106.1 112.8 -12.4 55.7 51.9 1043 254 D F - 0 0 38 -2,-0.7 2,-0.5 -13,-0.1 -233,-0.0 -0.921 19.8-139.8-103.4 129.7 -10.4 56.0 48.6 1044 255 D F - 0 0 1 -2,-0.5 -376,-0.1 1,-0.1 4,-0.1 -0.801 15.9-173.2 -93.3 125.1 -6.8 57.0 49.0 1045 256 D R + 0 0 55 -2,-0.5 -237,-0.4 2,-0.1 2,-0.3 0.546 69.1 42.1 -95.4 -13.2 -5.5 59.5 46.4 1046 257 D Q S S- 0 0 65 -239,-0.1 2,-0.6 -240,-0.1 -245,-0.1 -0.843 102.8 -80.6-124.5 167.9 -1.8 59.4 47.4 1047 258 D R + 0 0 55 -2,-0.3 2,-0.4 -247,-0.2 -2,-0.1 -0.592 58.8 168.4 -68.5 112.6 0.6 56.7 48.4 1048 259 D V - 0 0 0 -2,-0.6 -4,-0.1 -4,-0.1 5,-0.0 -0.999 36.1-107.6-130.7 135.7 -0.2 56.1 52.0 1049 260 D S > - 0 0 18 -2,-0.4 4,-2.6 1,-0.1 5,-0.2 -0.065 24.9-115.3 -60.6 159.1 1.1 53.1 53.9 1050 261 D S H > S+ 0 0 37 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.834 116.4 51.7 -66.8 -31.2 -1.1 50.1 54.9 1051 262 D E H > S+ 0 0 104 2,-0.2 4,-2.0 1,-0.2 27,-0.3 0.910 112.0 46.1 -70.8 -41.7 -0.6 50.9 58.6 1052 263 D C H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.906 112.2 50.4 -67.0 -44.4 -1.6 54.5 58.1 1053 264 D Q H X S+ 0 0 18 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.865 108.8 54.4 -57.7 -38.6 -4.6 53.5 56.0 1054 265 D H H X S+ 0 0 99 -4,-1.7 4,-1.5 2,-0.2 -2,-0.2 0.924 109.1 46.6 -62.8 -46.2 -5.6 51.0 58.8 1055 266 D L H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.889 113.7 47.9 -63.9 -42.2 -5.6 53.8 61.4 1056 267 D I H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.948 112.2 48.5 -63.8 -51.5 -7.6 56.1 59.2 1057 268 D R H < S+ 0 0 60 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.738 110.4 52.8 -60.0 -27.5 -10.2 53.5 58.3 1058 269 D W H >< S+ 0 0 71 -4,-1.5 3,-1.2 1,-0.2 -1,-0.2 0.893 108.9 48.6 -74.7 -43.3 -10.6 52.5 62.0 1059 270 D C H 3< S+ 0 0 0 -4,-2.0 -2,-0.2 1,-0.2 -41,-0.2 0.841 112.0 51.0 -62.6 -33.3 -11.2 56.1 63.0 1060 271 D L T 3< S+ 0 0 4 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 -0.007 76.0 142.3 -98.2 26.0 -13.8 56.4 60.1 1061 272 D A < - 0 0 18 -3,-1.2 6,-0.1 1,-0.1 -21,-0.1 -0.430 54.3-132.3 -63.6 141.6 -15.7 53.2 61.1 1062 273 D L S S+ 0 0 76 -23,-0.1 -62,-0.2 -22,-0.1 -1,-0.1 0.896 91.1 65.8 -68.5 -41.6 -19.5 53.9 60.5 1063 274 D R S > S- 0 0 154 1,-0.1 3,-1.7 -64,-0.1 4,-0.5 -0.738 80.6-141.0 -86.3 120.5 -20.6 52.6 63.9 1064 275 D P G > S+ 0 0 45 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 0.840 100.3 59.1 -44.3 -45.4 -19.3 54.8 66.8 1065 276 D S G 3 S+ 0 0 93 1,-0.3 -3,-0.0 -3,-0.0 -2,-0.0 0.753 100.1 58.4 -61.5 -26.2 -18.6 51.8 69.0 1066 277 D D G < S+ 0 0 73 -3,-1.7 -1,-0.3 2,-0.1 -4,-0.1 0.574 86.9 95.9 -78.5 -11.2 -16.1 50.4 66.4 1067 278 D R S < S- 0 0 13 -3,-1.6 -8,-0.2 -4,-0.5 2,-0.1 -0.435 81.5-104.7 -77.4 156.2 -13.9 53.5 66.5 1068 279 D P - 0 0 4 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.408 23.5-123.6 -80.7 157.4 -10.8 53.5 68.6 1069 280 D T > - 0 0 79 -2,-0.1 4,-1.7 1,-0.1 5,-0.1 -0.352 38.4 -97.5 -83.1 176.6 -10.3 55.3 72.0 1070 281 D F H > S+ 0 0 28 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.872 126.3 52.8 -66.7 -37.6 -7.5 57.7 72.3 1071 282 D E H > S+ 0 0 140 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.946 109.6 49.0 -60.7 -48.1 -5.3 55.1 74.0 1072 283 D E H 4 S+ 0 0 81 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.799 110.8 51.1 -62.9 -31.9 -5.9 52.7 71.0 1073 284 D I H >< S+ 0 0 0 -4,-1.7 3,-1.1 1,-0.2 -1,-0.2 0.960 112.7 43.9 -70.0 -48.3 -5.1 55.5 68.6 1074 285 D Q H 3< S+ 0 0 10 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.614 114.5 51.1 -74.8 -11.3 -1.8 56.3 70.2 1075 286 D N T 3< S+ 0 0 101 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.447 82.4 115.1-101.2 -6.3 -0.9 52.6 70.6 1076 287 D H S X S- 0 0 11 -3,-1.1 3,-1.5 -4,-0.5 4,-0.3 -0.305 79.6-113.2 -62.3 148.0 -1.6 51.8 67.0 1077 288 D P G > S+ 0 0 76 0, 0.0 3,-1.0 0, 0.0 -1,-0.1 0.796 114.4 58.0 -56.9 -35.4 1.6 50.6 65.0 1078 289 D W G 3 S+ 0 0 2 -27,-0.3 -26,-0.1 1,-0.2 -4,-0.1 0.683 101.3 58.7 -66.3 -19.8 1.7 53.7 62.8 1079 290 D M G < S+ 0 0 1 -3,-1.5 3,-0.4 -6,-0.2 -1,-0.2 0.437 82.4 107.8 -91.2 -0.9 1.9 56.0 65.8 1080 291 D Q S < S+ 0 0 91 -3,-1.0 -5,-0.1 -4,-0.3 -146,-0.0 -0.367 72.7 23.8 -77.7 154.5 5.2 54.5 67.4 1081 292 D D S S- 0 0 157 1,-0.2 -1,-0.2 -2,-0.1 2,-0.1 0.874 81.6-170.5 60.3 42.5 8.6 56.3 67.4 1082 293 D V - 0 0 38 -3,-0.4 -1,-0.2 1,-0.1 2,-0.1 -0.356 22.6-113.9 -65.8 140.2 7.1 59.8 67.1 1083 294 D L - 0 0 24 -152,-0.3 -1,-0.1 1,-0.1 3,-0.0 -0.387 30.1-114.2 -68.7 151.6 9.5 62.7 66.5 1084 295 D L > - 0 0 106 1,-0.1 4,-2.2 -2,-0.1 5,-0.2 -0.444 32.3-105.4 -78.3 161.2 9.8 65.3 69.2 1085 296 D P H > S+ 0 0 44 0, 0.0 4,-1.6 0, 0.0 3,-0.2 0.963 119.2 47.2 -53.6 -55.4 8.6 68.8 68.4 1086 297 D Q H > S+ 0 0 85 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.834 110.9 50.4 -58.5 -39.5 12.1 70.2 68.0 1087 298 D E H > S+ 0 0 83 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.941 109.7 53.2 -61.7 -43.7 13.3 67.4 65.8 1088 299 D T H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 5,-0.5 0.825 108.3 50.1 -58.7 -36.0 10.2 67.8 63.6 1089 300 D A H X>S+ 0 0 0 -4,-1.6 5,-3.5 -121,-0.3 4,-2.1 0.954 111.7 46.5 -69.6 -48.4 11.0 71.5 63.2 1090 301 D E H <5S+ 0 0 119 -4,-2.1 -2,-0.2 3,-0.2 -1,-0.1 0.928 120.6 37.5 -58.5 -48.5 14.6 71.0 62.1 1091 302 D I H <5S+ 0 0 104 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.928 135.7 14.6 -72.8 -49.0 13.8 68.2 59.6 1092 303 D H H <5S+ 0 0 12 -4,-1.9 -3,-0.2 -5,-0.3 -2,-0.2 0.520 132.2 31.3-109.5 -10.8 10.5 69.5 58.1 1093 304 D L T <5 0 0 28 -4,-2.1 -3,-0.2 -5,-0.5 -4,-0.1 0.788 360.0 360.0-112.9 -56.0 10.1 73.2 59.1 1094 305 D H < 0 0 124 -5,-3.5 -4,-0.2 -128,-0.1 -3,-0.1 0.713 360.0 360.0 -59.9 360.0 13.4 75.1 59.5