==== 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 30-JUL-09 3IHJ . COMPND 2 MOLECULE: ALANINE AMINOTRANSFERASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.WISNIEWSKA,M.I.SIPONEN,C.H.ARROWSMITH,H.BERGLUND,C.BOUNTRA . 461 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21084.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 326 70.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 5.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 39 8.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 1 0.2 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 . 29 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 173 37.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 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 1 0 0 1 1 1 1 2 1 3 3 0 0 0 0 0 0 1 0 0 0 0 0 1 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 2 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 . 3 3 0 1 0 1 0 0 1 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 . 3 1 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 42 A N 0 0 126 0, 0.0 23,-0.9 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 -49.8 -0.8 66.6 25.8 2 43 A L E -A 23 0A 121 21,-0.2 2,-0.3 19,-0.0 21,-0.2 -0.813 360.0-165.5 -93.1 134.2 -1.6 62.9 25.4 3 44 A Y E -A 22 0A 46 19,-2.2 19,-2.7 -2,-0.4 2,-0.1 -0.953 26.3-103.7-126.9 140.8 -1.4 60.9 28.5 4 45 A F E +A 21 0A 128 -2,-0.3 17,-0.2 17,-0.2 3,-0.1 -0.335 42.6 162.9 -60.2 127.6 -1.3 57.1 29.2 5 46 A Q E - 0 0 89 15,-2.9 2,-0.3 1,-0.4 16,-0.2 0.682 57.7 -14.9-115.2 -43.4 -4.6 55.8 30.3 6 47 A S E -A 20 0A 44 14,-1.6 14,-2.6 2,-0.0 -1,-0.4 -0.998 46.6-148.4-161.1 155.6 -4.5 52.0 29.8 7 48 A M E -A 19 0A 95 -2,-0.3 2,-0.4 12,-0.2 12,-0.2 -0.976 8.9-171.9-127.1 149.1 -2.8 49.1 28.3 8 49 A T E -A 18 0A 82 10,-1.9 10,-3.0 -2,-0.3 2,-0.9 -0.998 19.8-142.9-136.4 132.3 -4.1 45.7 27.0 9 50 A L E -A 17 0A 96 -2,-0.4 8,-0.2 8,-0.2 3,-0.1 -0.875 19.3-173.8 -91.0 103.3 -2.1 42.7 25.8 10 51 A E E - 0 0 124 6,-1.9 2,-0.3 -2,-0.9 -1,-0.2 0.842 60.2 -26.1 -71.2 -31.3 -4.3 41.5 23.1 11 52 A S E > -A 16 0A 39 5,-1.2 5,-1.9 -3,-0.1 -1,-0.3 -0.962 35.6-145.7-171.7 160.1 -2.2 38.4 22.4 12 53 A M E > 5S+A 15 0A 116 -2,-0.3 3,-0.8 3,-0.2 -1,-0.1 0.486 85.8 78.5-106.1 -10.3 1.2 36.8 22.6 13 54 A N T 3 5S+ 0 0 145 1,-0.8 -1,-0.2 3,-0.1 2,-0.1 -0.732 124.7 4.5-141.4 79.2 1.0 34.8 19.4 14 55 A P T 3 5S- 0 0 51 0, 0.0 -1,-0.8 0, 0.0 2,-0.4 0.597 110.1-124.3 -80.8 155.6 1.6 37.1 17.7 15 56 A Q E < 5 +A 12 0A 107 -3,-0.8 2,-0.4 -2,-0.1 -3,-0.2 -0.544 37.8 168.5 -74.4 124.3 2.2 39.7 20.3 16 57 A V E < -A 11 0A 65 -5,-1.9 -6,-1.9 -2,-0.4 -5,-1.2 -0.997 13.9-166.3-138.2 127.4 0.0 42.8 20.1 17 58 A K E -A 9 0A 133 -2,-0.4 2,-0.5 -8,-0.2 -8,-0.2 -0.961 6.1-156.2-115.2 137.9 -0.4 45.6 22.7 18 59 A A E -A 8 0A 34 -10,-3.0 -10,-1.9 -2,-0.4 2,-0.4 -0.959 10.2-168.3-114.7 121.0 -3.1 48.2 22.7 19 60 A V E -A 7 0A 52 -2,-0.5 2,-0.5 -12,-0.2 -12,-0.2 -0.930 8.1-152.2-112.8 129.5 -2.4 51.5 24.5 20 61 A E E -A 6 0A 106 -14,-2.6 -15,-2.9 -2,-0.4 -14,-1.6 -0.867 10.6-169.1 -97.0 133.9 -5.1 54.1 25.2 21 62 A Y E -A 4 0A 133 -2,-0.5 2,-0.4 -17,-0.2 -17,-0.2 -0.970 6.3-154.7-121.6 132.7 -4.1 57.7 25.5 22 63 A A E -A 3 0A 11 -19,-2.7 -19,-2.2 -2,-0.4 2,-0.6 -0.899 10.2-143.5-109.0 137.1 -6.4 60.4 26.8 23 64 A V E -A 2 0A 95 -2,-0.4 2,-0.8 -21,-0.2 -21,-0.2 -0.900 18.4-164.1 -89.5 119.0 -6.2 64.2 25.9 24 65 A R + 0 0 127 -23,-0.9 -2,-0.0 -2,-0.6 -22,-0.0 -0.644 21.5 164.6-111.8 79.4 -7.2 65.8 29.2 25 66 A G > - 0 0 26 -2,-0.8 4,-2.3 1,-0.0 3,-0.3 -0.199 53.8 -79.5 -84.7-175.4 -7.9 69.4 28.2 26 67 A P H > S+ 0 0 54 0, 0.0 4,-2.6 0, 0.0 5,-0.1 0.756 126.7 49.2 -56.1 -38.8 -9.8 72.1 30.1 27 68 A I H > S+ 0 0 15 2,-0.2 4,-2.7 3,-0.2 5,-0.2 0.874 110.5 50.3 -71.6 -43.1 -13.3 71.0 29.3 28 69 A V H > S+ 0 0 55 -3,-0.3 4,-2.1 2,-0.2 5,-0.2 0.961 114.5 45.5 -57.3 -53.5 -12.6 67.3 30.3 29 70 A L H X S+ 0 0 110 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.934 114.6 47.0 -60.2 -47.6 -11.1 68.6 33.6 30 71 A K H X S+ 0 0 46 -4,-2.6 4,-3.0 2,-0.2 -1,-0.2 0.887 108.5 54.5 -60.9 -41.6 -14.0 71.0 34.2 31 72 A A H X S+ 0 0 0 -4,-2.7 4,-1.9 2,-0.2 -1,-0.2 0.923 112.1 46.1 -57.7 -41.0 -16.6 68.4 33.4 32 73 A G H X S+ 0 0 28 -4,-2.1 4,-2.2 2,-0.2 5,-0.2 0.948 111.3 50.7 -64.4 -50.2 -15.0 66.1 36.1 33 74 A E H X S+ 0 0 94 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.921 112.8 47.3 -53.0 -46.5 -14.7 69.0 38.6 34 75 A I H X S+ 0 0 2 -4,-3.0 4,-2.6 2,-0.2 -1,-0.2 0.859 107.4 55.5 -64.2 -39.8 -18.5 69.7 38.1 35 76 A E H X S+ 0 0 81 -4,-1.9 4,-1.6 1,-0.2 -1,-0.2 0.911 110.1 46.1 -60.7 -44.5 -19.5 66.0 38.4 36 77 A L H X S+ 0 0 92 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.884 109.4 55.5 -64.3 -39.4 -17.8 65.8 41.8 37 78 A E H <>S+ 0 0 25 -4,-2.0 5,-2.4 1,-0.2 3,-0.4 0.966 109.5 46.1 -57.1 -50.9 -19.4 69.2 42.9 38 79 A L H ><5S+ 0 0 42 -4,-2.6 3,-1.0 1,-0.2 -1,-0.2 0.835 109.3 57.2 -56.7 -34.9 -22.8 67.7 42.1 39 80 A Q H 3<5S+ 0 0 160 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.836 106.3 47.6 -71.6 -32.3 -21.9 64.5 44.0 40 81 A R T 3<5S- 0 0 167 -4,-1.8 -1,-0.2 -3,-0.4 -2,-0.2 0.177 127.8 -96.7 -99.4 19.4 -21.1 66.3 47.2 41 82 A G T < 5 + 0 0 63 -3,-1.0 -3,-0.2 1,-0.3 2,-0.2 0.571 62.3 161.9 92.6 14.8 -24.3 68.3 47.0 42 83 A I < - 0 0 72 -5,-2.4 2,-0.4 -6,-0.2 -1,-0.3 -0.473 41.6-125.6 -65.2 128.8 -23.5 71.6 45.4 43 84 A K + 0 0 97 -2,-0.2 4,-0.1 2,-0.0 -1,-0.1 -0.677 38.2 178.8 -76.5 132.6 -26.7 73.1 44.1 44 85 A K - 0 0 64 -2,-0.4 370,-0.1 2,-0.3 371,-0.0 -0.910 45.9-108.2-129.7 163.0 -26.3 74.0 40.4 45 86 A P S S+ 0 0 106 0, 0.0 2,-0.3 0, 0.0 369,-0.1 0.508 110.6 37.2 -64.9 -4.7 -28.5 75.5 37.7 46 87 A F S S- 0 0 13 1,-0.0 -2,-0.3 370,-0.0 370,-0.1 -0.933 73.2-141.3-140.2 163.2 -28.5 71.9 36.2 47 88 A T S S+ 0 0 126 -2,-0.3 2,-0.3 1,-0.2 369,-0.1 0.476 80.2 21.3-107.8 -3.1 -28.6 68.5 37.9 48 89 A E S S- 0 0 99 367,-0.2 2,-0.4 2,-0.0 -1,-0.2 -0.996 71.7-111.5-159.0 156.9 -26.2 66.7 35.5 49 90 A V - 0 0 19 -2,-0.3 2,-0.5 -3,-0.1 368,-0.2 -0.796 37.1-156.4 -87.2 130.1 -23.5 67.0 32.9 50 91 A I B +b 417 0B 24 366,-2.6 368,-3.2 -2,-0.4 365,-0.0 -0.964 27.4 159.0-117.2 123.8 -24.8 66.0 29.5 51 92 A R - 0 0 102 -2,-0.5 386,-0.2 366,-0.2 -1,-0.2 0.846 26.4-155.9 -97.9 -63.9 -22.5 64.8 26.7 52 93 A A 0 0 27 387,-0.1 387,-0.2 384,-0.1 -2,-0.0 0.952 360.0 360.0 78.6 84.8 -24.7 62.8 24.2 53 94 A N 0 0 123 386,-0.1 385,-0.0 385,-0.1 0, 0.0 0.414 360.0 360.0-176.0 360.0 -22.5 60.4 22.2 54 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 55 105 A P 0 0 119 0, 0.0 2,-0.7 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -30.9 -34.1 49.2 17.4 56 106 A I > - 0 0 2 1,-0.2 4,-1.6 228,-0.2 3,-0.5 -0.952 360.0-158.1-108.1 114.1 -34.1 47.0 14.3 57 107 A T H > S+ 0 0 22 -2,-0.7 4,-2.4 1,-0.2 5,-0.2 0.886 85.1 58.8 -60.4 -44.0 -35.8 43.8 15.3 58 108 A F H > S+ 0 0 4 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.836 105.6 48.8 -58.6 -38.7 -34.2 41.7 12.6 59 109 A L H > S+ 0 0 11 -3,-0.5 4,-2.4 2,-0.2 -1,-0.2 0.914 110.8 49.1 -72.1 -47.2 -30.7 42.4 13.7 60 110 A R H X S+ 0 0 136 -4,-1.6 4,-2.9 2,-0.2 -2,-0.2 0.895 111.7 52.4 -51.9 -43.8 -31.4 41.6 17.4 61 111 A Q H X S+ 0 0 35 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.928 110.4 44.2 -63.4 -49.2 -33.0 38.4 16.2 62 112 A V H X S+ 0 0 0 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.904 115.5 50.4 -62.9 -39.0 -30.1 37.2 14.1 63 113 A M H X S+ 0 0 70 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.901 109.2 50.6 -61.9 -46.2 -27.8 38.2 17.0 64 114 A A H X S+ 0 0 38 -4,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.874 109.6 51.9 -61.8 -37.0 -29.9 36.3 19.6 65 115 A L H < S+ 0 0 0 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.824 110.6 46.9 -68.1 -36.5 -29.8 33.2 17.4 66 116 A C H < S+ 0 0 32 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.817 111.6 51.3 -74.7 -33.0 -26.0 33.3 17.1 67 117 A T H < S+ 0 0 103 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.892 128.6 19.6 -66.3 -36.5 -25.6 33.9 20.8 68 118 A Y >< - 0 0 125 -4,-1.8 3,-2.4 -5,-0.1 -1,-0.2 -0.707 69.4-172.5-139.7 75.1 -27.8 30.9 21.7 69 119 A P G > S+ 0 0 54 0, 0.0 3,-2.4 0, 0.0 4,-0.2 0.646 75.9 79.0 -49.2 -21.8 -28.1 28.5 18.7 70 120 A N G > S+ 0 0 108 1,-0.3 3,-1.6 2,-0.2 4,-0.1 0.763 79.8 72.1 -58.1 -23.6 -30.8 26.3 20.4 71 121 A L G X S+ 0 0 41 -3,-2.4 3,-1.2 1,-0.3 -1,-0.3 0.533 71.9 85.0 -71.2 -8.1 -33.2 29.1 19.4 72 122 A L G < S+ 0 0 27 -3,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.701 94.8 45.3 -60.8 -22.0 -32.9 27.8 15.8 73 123 A D G < S+ 0 0 144 -3,-1.6 -1,-0.3 -4,-0.2 -2,-0.2 0.373 95.8 106.1 -97.8 -0.4 -35.6 25.4 16.9 74 124 A S < - 0 0 22 -3,-1.2 3,-0.4 1,-0.1 -3,-0.0 -0.477 63.6-148.5 -80.6 150.3 -37.6 28.1 18.5 75 125 A P S S+ 0 0 129 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.340 87.2 86.7 -94.2 3.6 -40.9 29.6 17.0 76 126 A S S S+ 0 0 97 -5,-0.1 -5,-0.0 1,-0.1 -2,-0.0 0.482 87.9 68.3 -72.4 -0.2 -40.1 33.0 18.6 77 127 A F S S- 0 0 31 -3,-0.4 -1,-0.1 -6,-0.2 5,-0.0 -0.967 80.4-123.0-132.9 127.9 -38.0 33.6 15.3 78 128 A P > - 0 0 21 0, 0.0 4,-1.5 0, 0.0 5,-0.1 -0.248 27.8-122.0 -61.9 157.5 -38.7 34.0 11.6 79 129 A E H > S+ 0 0 96 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.701 109.1 60.9 -79.9 -22.3 -37.0 31.7 9.2 80 130 A D H > S+ 0 0 9 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.946 106.1 49.1 -73.2 -40.9 -35.2 34.4 7.2 81 131 A A H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 3,-0.3 0.933 111.4 50.1 -50.2 -49.3 -33.3 35.3 10.5 82 132 A K H X S+ 0 0 18 -4,-1.5 4,-2.8 1,-0.3 5,-0.2 0.858 103.9 57.6 -65.3 -37.3 -32.5 31.6 11.1 83 133 A K H X S+ 0 0 81 -4,-1.9 4,-1.9 2,-0.2 -1,-0.3 0.908 108.9 45.9 -59.4 -41.0 -31.2 31.3 7.7 84 134 A R H X S+ 0 0 24 -4,-1.5 4,-2.6 -3,-0.3 -2,-0.2 0.941 112.3 50.9 -62.9 -50.9 -28.7 34.1 8.4 85 135 A A H X S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.2 5,-0.2 0.919 110.5 49.6 -55.0 -45.4 -27.7 32.6 11.8 86 136 A R H X S+ 0 0 81 -4,-2.8 4,-2.6 2,-0.2 5,-0.2 0.919 110.3 48.4 -64.3 -46.0 -27.1 29.2 10.3 87 137 A R H X S+ 0 0 44 -4,-1.9 4,-2.0 1,-0.2 5,-0.2 0.931 115.6 46.0 -60.5 -43.2 -24.9 30.5 7.5 88 138 A I H X S+ 0 0 6 -4,-2.6 4,-3.0 2,-0.2 -2,-0.2 0.863 111.7 50.6 -65.6 -40.0 -22.9 32.5 10.1 89 139 A L H < S+ 0 0 64 -4,-3.0 -2,-0.2 -5,-0.2 -1,-0.2 0.913 112.7 46.9 -66.0 -39.4 -22.6 29.5 12.5 90 140 A Q H < S+ 0 0 163 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.885 124.6 31.1 -68.4 -41.8 -21.3 27.2 9.7 91 141 A A H < 0 0 33 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.834 360.0 360.0 -82.5 -34.4 -18.8 29.7 8.5 92 142 A C < 0 0 65 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.1 -0.654 360.0 360.0 66.8 360.0 -18.1 31.5 11.8 93 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 94 153 A S 0 0 106 0, 0.0 3,-0.1 0, 0.0 29,-0.0 0.000 360.0 360.0 360.0 -53.3 -7.0 35.5 5.4 95 154 A Q - 0 0 48 1,-0.4 29,-3.3 28,-0.1 2,-0.2 0.484 360.0 -75.7 -72.8 -8.0 -8.8 38.6 3.9 96 155 A G S S- 0 0 5 27,-0.2 -1,-0.4 4,-0.0 5,-0.1 -0.510 78.5 -29.7 127.1 168.2 -11.6 37.3 6.1 97 156 A V >> - 0 0 37 -2,-0.2 4,-2.1 1,-0.1 3,-0.6 -0.222 61.2-129.7 -58.3 138.9 -14.1 34.4 6.1 98 157 A N H 3> S+ 0 0 91 1,-0.3 4,-1.8 2,-0.2 -1,-0.1 0.861 101.7 44.6 -63.4 -47.0 -15.0 33.5 2.5 99 158 A C H 3> S+ 0 0 39 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.730 110.6 56.1 -77.2 -19.9 -18.7 33.5 2.5 100 159 A I H <> S+ 0 0 1 -3,-0.6 4,-1.9 2,-0.2 -2,-0.2 0.886 106.8 50.7 -72.3 -39.2 -18.8 36.8 4.5 101 160 A R H X S+ 0 0 19 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.886 109.4 51.6 -64.1 -38.3 -16.7 38.5 1.9 102 161 A E H X S+ 0 0 88 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.858 108.2 51.4 -60.2 -44.8 -19.2 37.1 -0.7 103 162 A D H X S+ 0 0 40 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.845 110.0 49.1 -60.5 -36.9 -22.0 38.6 1.2 104 163 A V H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.964 111.2 49.6 -68.8 -50.9 -20.3 42.0 1.3 105 164 A A H X S+ 0 0 4 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.893 112.7 47.0 -47.5 -49.6 -19.6 41.9 -2.4 106 165 A A H X S+ 0 0 43 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.874 111.3 52.1 -66.7 -39.0 -23.3 41.0 -3.1 107 166 A Y H X S+ 0 0 22 -4,-2.1 4,-2.9 2,-0.2 -2,-0.2 0.917 108.7 49.7 -61.3 -43.0 -24.4 43.7 -0.7 108 167 A I H X S+ 0 0 1 -4,-2.7 4,-2.4 2,-0.2 7,-0.2 0.950 110.4 51.7 -58.0 -49.2 -22.2 46.3 -2.6 109 168 A T H <>S+ 0 0 40 -4,-2.5 5,-2.8 2,-0.2 6,-0.5 0.928 112.0 45.3 -54.7 -50.1 -23.7 45.1 -5.9 110 169 A R H ><5S+ 0 0 112 -4,-2.4 3,-1.8 1,-0.2 -2,-0.2 0.951 113.7 49.1 -60.7 -48.7 -27.3 45.5 -4.6 111 170 A R H 3<5S+ 0 0 61 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.853 111.7 50.7 -57.8 -37.9 -26.5 48.9 -3.1 112 171 A D T ><5S- 0 0 6 -4,-2.4 3,-0.7 3,-0.2 -1,-0.3 0.197 117.0-109.1 -91.8 20.6 -24.9 50.1 -6.3 113 172 A G T < 5S- 0 0 75 -3,-1.8 -3,-0.2 1,-0.2 -2,-0.1 0.808 84.8 -36.9 62.6 31.0 -27.8 49.1 -8.6 114 173 A G T 3 - 0 0 71 -2,-0.4 3,-2.4 1,-0.1 4,-0.2 -0.908 7.2-142.7-106.6 123.8 -15.6 41.0 -6.4 119 178 A P G > S+ 0 0 35 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.744 101.0 64.1 -54.2 -29.3 -15.2 39.1 -3.1 120 179 A D G 3 S+ 0 0 100 1,-0.3 -18,-0.0 3,-0.0 -19,-0.0 0.560 96.6 56.3 -72.6 -14.2 -11.4 39.1 -3.6 121 180 A N G < S+ 0 0 50 -3,-2.4 176,-2.5 -20,-0.1 2,-0.4 0.310 91.8 94.8 -91.6 -0.6 -11.3 42.9 -3.3 122 181 A I E < -C 296 0C 0 -3,-1.2 2,-0.4 174,-0.2 174,-0.2 -0.855 51.7-176.9 -98.8 133.8 -12.9 42.7 0.1 123 182 A Y E -C 295 0C 20 172,-2.4 172,-2.5 -2,-0.4 2,-0.2 -0.999 19.4-139.8-128.3 121.4 -10.9 42.7 3.3 124 183 A L E +C 294 0C 10 -29,-3.3 2,-0.3 -2,-0.4 170,-0.3 -0.584 29.1 179.6 -78.7 142.9 -12.5 42.3 6.7 125 184 A T E -C 293 0C 7 168,-2.1 2,-1.4 -2,-0.2 168,-0.7 -0.897 42.6-100.5-140.4 166.4 -11.0 44.5 9.4 126 185 A T S S- 0 0 42 -2,-0.3 4,-0.5 166,-0.2 166,-0.2 -0.644 97.6 -34.3 -91.8 77.6 -11.5 45.2 13.0 127 186 A G S > S- 0 0 0 -2,-1.4 4,-1.2 2,-0.1 3,-0.4 0.007 77.7 -83.4 86.7 160.5 -13.5 48.5 12.4 128 187 A A H > S+ 0 0 8 164,-0.3 4,-2.8 1,-0.2 5,-0.2 0.779 127.5 68.3 -62.5 -31.6 -13.0 51.0 9.6 129 188 A S H > S+ 0 0 35 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.871 98.8 48.8 -52.2 -47.2 -10.3 52.5 11.8 130 189 A D H > S+ 0 0 26 -4,-0.5 4,-2.0 -3,-0.4 -1,-0.2 0.880 112.7 48.0 -62.1 -44.5 -8.2 49.3 11.2 131 190 A G H X S+ 0 0 0 -4,-1.2 4,-2.8 2,-0.2 5,-0.2 0.936 111.8 47.8 -62.7 -47.1 -8.7 49.5 7.5 132 191 A I H X S+ 0 0 3 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.915 113.7 49.0 -60.7 -45.3 -7.9 53.1 7.2 133 192 A S H X S+ 0 0 41 -4,-2.2 4,-2.0 -5,-0.2 -1,-0.2 0.879 112.8 47.5 -58.6 -42.3 -4.7 52.5 9.3 134 193 A T H X S+ 0 0 6 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.922 113.4 46.2 -72.3 -47.6 -3.6 49.6 7.2 135 194 A I H X S+ 0 0 0 -4,-2.8 4,-0.8 2,-0.2 -2,-0.2 0.915 114.1 47.9 -60.4 -46.8 -4.2 51.4 3.9 136 195 A L H >X S+ 0 0 0 -4,-2.6 4,-1.4 -5,-0.2 3,-0.6 0.910 110.1 53.7 -63.3 -39.5 -2.4 54.5 5.0 137 196 A K H 3< S+ 0 0 120 -4,-2.0 3,-0.3 1,-0.2 -2,-0.2 0.916 108.9 47.0 -58.8 -47.8 0.5 52.5 6.4 138 197 A I H 3< S+ 0 0 5 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.606 114.1 50.1 -71.3 -10.9 1.1 50.6 3.1 139 198 A L H << S+ 0 0 22 -4,-0.8 2,-0.3 -3,-0.6 -1,-0.2 0.682 87.3 91.1 -98.2 -24.7 0.9 53.9 1.1 140 199 A V < + 0 0 19 -4,-1.4 2,-0.2 -3,-0.3 7,-0.1 -0.624 51.6 123.4 -81.5 132.1 3.4 56.1 3.0 141 200 A S + 0 0 73 -2,-0.3 7,-2.2 5,-0.1 -2,-0.0 -0.909 25.0 69.1-163.1-172.8 7.0 56.1 1.8 142 201 A G - 0 0 44 -2,-0.2 2,-0.3 5,-0.2 5,-0.2 -0.174 63.1-104.8 80.0-172.3 9.9 58.4 0.6 143 202 A G > - 0 0 43 4,-0.1 3,-2.4 -2,-0.0 4,-0.1 -0.992 64.3 -18.5-158.1 151.5 11.8 61.0 2.4 144 203 A G G > S+ 0 0 65 -2,-0.3 3,-2.7 1,-0.3 55,-0.0 -0.183 133.4 3.6 44.2-129.3 12.1 64.7 2.8 145 204 A K G 3 S+ 0 0 70 1,-0.3 -1,-0.3 55,-0.1 55,-0.1 0.586 136.8 52.6 -64.4 -11.9 10.5 66.4 -0.2 146 205 A S G < S+ 0 0 65 -3,-2.4 -1,-0.3 54,-0.1 -2,-0.2 0.265 79.4 126.9 -99.8 10.9 9.4 63.0 -1.7 147 206 A R S < S- 0 0 56 -3,-2.7 54,-2.1 -5,-0.2 -5,-0.2 -0.476 74.8 -91.4 -73.5 135.6 7.6 61.9 1.6 148 207 A T E -d 201 0C 5 -7,-2.2 22,-2.7 52,-0.2 2,-0.5 -0.172 37.5-149.3 -51.0 126.9 4.0 60.9 1.0 149 208 A G E -de 202 170C 0 52,-2.7 54,-2.5 20,-0.2 55,-1.6 -0.884 8.0-158.9 -95.4 131.6 1.5 63.7 1.4 150 209 A V E -de 204 171C 0 20,-3.2 22,-2.6 -2,-0.5 2,-0.4 -0.966 9.1-143.4-115.5 119.2 -2.0 62.7 2.7 151 210 A M E +de 205 172C 0 53,-3.7 55,-2.5 -2,-0.5 22,-0.2 -0.681 26.0 172.6 -87.3 130.0 -4.9 65.0 2.0 152 211 A I E - 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