==== 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 OXIDOREDUCTASE 24-JUL-97 1AP5 . COMPND 2 MOLECULE: MANGANESE SUPEROXIDE DISMUTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Y.GUAN,G.E.O.BORGSTAHL,J.A.TAINER . 396 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18675.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 298 75.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 9.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 23 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 184 46.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 3.8 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 2 1 0 1 4 0 3 0 1 1 0 0 0 0 0 1 1 1 0 0 0 0 1 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 2 0 0 0 0 2 0 2 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 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 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 1 A K 0 0 200 0, 0.0 2,-0.2 0, 0.0 35,-0.1 0.000 360.0 360.0 360.0 160.6 12.9 -0.1 24.2 2 2 A H - 0 0 73 33,-0.3 2,-0.3 34,-0.0 37,-0.1 -0.674 360.0-159.8-108.2 166.3 15.2 1.3 26.9 3 3 A S - 0 0 84 -2,-0.2 0, 0.0 36,-0.0 0, 0.0 -0.857 28.6 -97.7-138.8 172.5 19.0 0.9 27.5 4 4 A L - 0 0 51 -2,-0.3 2,-0.2 24,-0.0 28,-0.1 -0.823 41.4-140.0 -94.1 122.4 21.6 1.1 30.2 5 5 A P - 0 0 48 0, 0.0 2,-0.1 0, 0.0 0, 0.0 -0.578 17.8-112.8 -82.7 153.5 23.3 4.5 30.0 6 6 A D - 0 0 148 -2,-0.2 0, 0.0 1,-0.1 0, 0.0 -0.449 35.0-103.7 -79.0 159.5 27.1 4.8 30.6 7 7 A L - 0 0 25 2,-0.2 -1,-0.1 -2,-0.1 4,-0.1 -0.485 17.9-126.6 -82.4 150.9 28.3 6.7 33.7 8 8 A P S S+ 0 0 94 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.132 94.7 20.2 -82.9 21.9 29.8 10.2 33.3 9 9 A Y S S- 0 0 30 73,-0.1 -2,-0.2 74,-0.0 2,-0.1 -0.946 96.9 -69.2-168.4 178.7 32.9 8.9 35.1 10 10 A D > - 0 0 132 -2,-0.3 3,-1.3 1,-0.1 4,-0.3 -0.431 42.5-108.4 -84.8 162.3 34.8 5.6 36.0 11 11 A Y T 3 S+ 0 0 97 1,-0.3 12,-0.3 2,-0.1 13,-0.3 0.666 120.8 38.4 -60.8 -19.6 33.8 2.9 38.4 12 12 A G T > S+ 0 0 34 1,-0.1 3,-1.8 11,-0.1 -1,-0.3 0.418 84.1 99.6-113.6 2.3 36.4 4.0 40.9 13 13 A A T < S+ 0 0 38 -3,-1.3 -2,-0.1 1,-0.3 -1,-0.1 0.616 80.6 57.9 -63.3 -14.6 36.2 7.8 40.5 14 14 A L T >> S+ 0 0 0 -4,-0.3 4,-2.9 4,-0.3 3,-0.5 0.332 87.5 154.1-100.4 7.6 34.1 8.0 43.6 15 15 A E T <4 + 0 0 99 -3,-1.8 4,-0.1 1,-0.3 -3,-0.0 -0.495 54.1 22.6 -74.6 149.0 36.7 6.4 45.9 16 16 A P T 34 S+ 0 0 92 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 -0.993 128.9 47.5 -83.3 -5.4 37.2 6.6 48.9 17 17 A H T <4 S+ 0 0 51 -3,-0.5 2,-0.6 1,-0.3 -2,-0.2 0.977 124.7 23.3 -60.7 -61.4 33.6 7.7 49.5 18 18 A I S < S- 0 0 4 -4,-2.9 -1,-0.3 161,-0.1 -4,-0.3 -0.947 90.9-123.4-116.8 114.7 31.9 5.1 47.4 19 19 A N > - 0 0 40 -2,-0.6 4,-1.6 -3,-0.2 -5,-0.1 0.068 11.4-131.0 -43.7 153.3 33.8 1.9 46.8 20 20 A A H > S+ 0 0 24 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.784 107.4 60.9 -82.5 -31.3 34.5 0.8 43.2 21 21 A Q H > S+ 0 0 85 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.817 109.5 44.9 -62.7 -31.7 33.2 -2.7 43.9 22 22 A I H > S+ 0 0 3 3,-0.1 4,-3.5 2,-0.1 5,-0.3 0.948 112.4 50.8 -75.2 -51.9 29.9 -1.1 44.8 23 23 A M H X S+ 0 0 2 -4,-1.6 4,-1.4 -12,-0.3 -2,-0.2 0.870 112.4 42.3 -54.2 -51.5 29.8 1.3 41.8 24 24 A Q H X S+ 0 0 70 -4,-2.4 4,-3.2 -13,-0.3 5,-0.3 0.913 119.9 46.1 -63.8 -41.7 30.5 -1.2 38.9 25 25 A L H X>S+ 0 0 8 -4,-0.9 4,-2.2 -5,-0.3 5,-1.0 0.915 108.2 53.9 -65.2 -50.9 28.1 -3.7 40.6 26 26 A H H <>S+ 0 0 2 -4,-3.5 5,-2.1 3,-0.2 -1,-0.2 0.831 120.8 35.5 -56.1 -31.9 25.3 -1.1 41.2 27 27 A H H <>S+ 0 0 9 -4,-1.4 5,-1.1 -5,-0.3 -2,-0.2 0.956 122.4 37.2 -85.8 -62.7 25.5 -0.3 37.6 28 28 A S H <5S+ 0 0 46 -4,-3.2 -3,-0.2 3,-0.2 -2,-0.2 0.736 131.2 24.0 -63.5 -32.0 26.3 -3.5 35.6 29 29 A K T X5S+ 0 0 92 -4,-2.2 4,-2.7 -5,-0.3 5,-0.2 0.825 129.2 29.2 -98.6 -79.0 24.1 -5.8 37.8 30 30 A H H >S+ 0 0 3 -4,-1.4 5,-1.7 2,-0.2 4,-0.8 0.729 113.1 59.9 -76.1 -23.3 -2.6 -7.2 27.0 49 49 A L H <5S+ 0 0 90 -4,-2.2 3,-0.2 2,-0.2 -1,-0.2 0.925 110.7 39.5 -71.1 -45.1 -3.5 -3.5 26.2 50 50 A A H <5S+ 0 0 90 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.823 114.1 56.5 -70.9 -32.1 -4.3 -4.3 22.5 51 51 A K H <5S- 0 0 154 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.717 110.2-127.4 -70.2 -23.2 -6.0 -7.5 23.8 52 52 A G T <5 + 0 0 49 -4,-0.8 2,-0.7 1,-0.2 -3,-0.2 0.519 54.8 154.9 84.4 7.1 -8.2 -5.3 26.0 53 53 A D >< + 0 0 52 -5,-1.7 4,-1.3 1,-0.2 -1,-0.2 -0.585 18.9 174.5 -73.0 106.1 -7.1 -7.5 29.0 54 54 A V H > S+ 0 0 88 -2,-0.7 4,-2.7 2,-0.2 5,-0.2 0.819 77.9 59.8 -81.7 -32.4 -7.5 -5.4 32.2 55 55 A T H > S+ 0 0 114 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.904 108.7 44.3 -61.2 -44.4 -6.6 -8.3 34.5 56 56 A A H > S+ 0 0 21 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.919 111.1 54.0 -67.2 -45.3 -3.2 -8.7 32.8 57 57 A Q H < S+ 0 0 46 -4,-1.3 3,-0.3 1,-0.2 4,-0.2 0.947 112.1 44.1 -53.7 -49.7 -2.6 -5.0 32.9 58 58 A I H >< S+ 0 0 97 -4,-2.7 3,-1.2 1,-0.2 -1,-0.2 0.857 109.8 55.7 -65.4 -34.8 -3.3 -4.9 36.6 59 59 A A H 3< S+ 0 0 69 -4,-2.0 4,-0.4 1,-0.3 -1,-0.2 0.857 107.8 50.6 -68.1 -30.1 -1.2 -8.0 37.2 60 60 A L T 3X S+ 0 0 30 -4,-2.0 4,-1.9 -3,-0.3 -1,-0.3 0.400 84.7 92.2 -87.6 -1.1 1.8 -6.3 35.5 61 61 A Q H <> S+ 0 0 112 -3,-1.2 4,-2.1 -4,-0.2 -1,-0.2 0.892 83.4 48.1 -62.8 -45.5 1.6 -3.1 37.5 62 62 A P H > S+ 0 0 68 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.929 113.6 45.9 -63.4 -46.6 4.1 -4.0 40.3 63 63 A A H >>S+ 0 0 31 -4,-0.4 4,-2.9 1,-0.2 5,-0.5 0.958 114.6 49.7 -60.6 -45.0 6.8 -5.3 38.0 64 64 A L H X5S+ 0 0 51 -4,-1.9 4,-1.2 1,-0.2 5,-0.2 0.854 113.6 45.1 -61.7 -38.0 6.4 -2.2 35.8 65 65 A K H X5S+ 0 0 94 -4,-2.1 4,-1.8 3,-0.2 -1,-0.2 0.900 116.5 45.6 -75.4 -35.9 6.6 0.1 38.8 66 66 A F H X5S+ 0 0 31 -4,-2.7 4,-1.6 2,-0.2 -2,-0.2 0.927 121.6 33.4 -71.2 -49.9 9.6 -1.6 40.4 67 67 A N H X5S+ 0 0 14 -4,-2.9 4,-1.8 -5,-0.2 -29,-0.2 0.832 121.6 49.9 -76.8 -34.1 11.8 -2.0 37.3 68 68 A G H XX S+ 0 0 4 -4,-1.7 3,-1.2 -5,-0.2 4,-0.9 0.930 100.2 51.4 -57.3 -50.3 21.3 9.0 40.8 78 78 A W H >< S+ 0 0 4 -4,-2.3 3,-0.7 1,-0.3 -1,-0.2 0.867 108.9 50.0 -55.5 -44.7 24.4 8.7 38.5 79 79 A T H 3< S+ 0 0 39 -4,-0.9 109,-0.3 1,-0.2 -1,-0.3 0.615 103.3 62.2 -70.8 -15.1 24.1 12.3 37.3 80 80 A N H << S+ 0 0 2 -3,-1.2 105,-4.5 -4,-0.8 -1,-0.2 0.722 99.6 66.6 -79.8 -26.0 23.7 13.5 40.9 81 81 A L B << +A 184 0A 4 -4,-0.9 103,-0.2 -3,-0.7 3,-0.1 -0.560 59.5 165.0 -94.7 161.2 27.2 12.1 41.7 82 82 A S > - 0 0 15 101,-2.2 3,-0.9 -2,-0.2 -73,-0.1 -0.916 46.7-125.6-172.2 143.6 30.6 13.3 40.4 83 83 A P T 3 S+ 0 0 66 0, 0.0 2,-0.4 0, 0.0 101,-0.1 0.787 117.8 54.5 -64.5 -22.9 34.3 13.0 41.1 84 84 A N T 3 S+ 0 0 147 99,-0.1 2,-0.2 -3,-0.1 99,-0.1 -0.404 94.6 123.8-101.8 50.8 34.2 16.8 41.2 85 85 A G < + 0 0 23 -3,-0.9 100,-0.2 97,-0.4 2,-0.1 -0.573 26.8 58.2-111.4 175.5 31.4 16.9 43.8 86 86 A G + 0 0 24 98,-2.1 100,-0.2 -2,-0.2 96,-0.2 -0.376 53.4 82.5 104.2 178.2 30.7 18.3 47.2 87 87 A G S S- 0 0 55 94,-0.2 -1,-0.1 -2,-0.1 97,-0.1 -0.471 87.2 -42.8 84.2-158.1 30.5 21.6 48.9 88 88 A E - 0 0 109 -2,-0.2 2,-0.1 1,-0.1 98,-0.1 -0.776 56.2-118.6-108.1 149.8 27.6 24.0 48.8 89 89 A P - 0 0 4 0, 0.0 2,-0.2 0, 0.0 98,-0.1 -0.379 33.3-144.4 -77.7 171.3 25.6 24.7 45.6 90 90 A K >> + 0 0 162 96,-0.2 4,-1.4 -2,-0.1 3,-0.5 -0.467 48.9 23.0-122.6-165.2 25.6 28.3 44.4 91 91 A G H >> S- 0 0 56 1,-0.2 4,-1.2 2,-0.2 3,-0.8 0.135 118.1 -16.3 45.3-150.6 23.3 30.8 42.7 92 92 A E H 3> S+ 0 0 85 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.789 129.2 64.4 -54.5 -36.2 19.5 30.5 42.8 93 93 A L H <> S+ 0 0 0 -3,-0.5 4,-1.9 1,-0.2 -1,-0.2 0.904 104.4 45.9 -59.4 -42.0 19.5 26.9 44.0 94 94 A L H S- 0 0 39 -2,-1.2 4,-1.4 -6,-0.2 5,-0.1 -0.900 77.5-102.4-149.6 175.5 20.1 27.3 55.7 104 104 A F H > S+ 0 0 11 -2,-0.3 4,-1.8 2,-0.2 5,-0.1 0.814 119.6 50.3 -73.2 -34.5 22.1 24.8 53.8 105 105 A D H > S+ 0 0 90 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.801 107.2 52.3 -76.0 -28.1 23.0 22.8 56.9 106 106 A K H > S+ 0 0 113 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.894 111.3 49.4 -71.4 -38.4 19.4 22.6 58.1 107 107 A F H X S+ 0 0 0 -4,-1.4 4,-2.1 2,-0.2 5,-0.2 0.892 110.4 50.5 -64.4 -42.0 18.6 21.3 54.6 108 108 A K H X S+ 0 0 53 -4,-1.8 4,-1.8 1,-0.2 -2,-0.2 0.924 108.3 51.6 -62.2 -46.1 21.4 18.7 54.9 109 109 A E H X S+ 0 0 142 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.876 112.1 47.1 -58.7 -41.5 20.3 17.5 58.3 110 110 A K H X S+ 0 0 106 -4,-1.7 4,-2.6 2,-0.2 5,-0.2 0.880 110.5 47.7 -71.5 -44.3 16.7 16.9 57.1 111 111 A L H X S+ 0 0 0 -4,-2.1 4,-1.3 2,-0.2 -1,-0.2 0.827 114.5 51.3 -67.3 -26.9 17.5 15.1 53.9 112 112 A T H X S+ 0 0 39 -4,-1.8 4,-2.3 -5,-0.2 -2,-0.2 0.938 110.5 47.4 -72.2 -44.9 19.9 13.0 56.1 113 113 A A H X S+ 0 0 63 -4,-2.3 4,-0.9 1,-0.2 -2,-0.2 0.880 112.8 48.1 -62.8 -42.2 17.0 12.3 58.6 114 114 A A H < S+ 0 0 28 -4,-2.6 4,-0.3 1,-0.2 -1,-0.2 0.813 115.5 44.4 -69.9 -31.6 14.5 11.3 55.9 115 115 A S H < S+ 0 0 0 -4,-1.3 3,-0.4 -5,-0.2 -2,-0.2 0.814 113.3 49.7 -82.1 -32.2 17.0 9.0 54.2 116 116 A V H < S+ 0 0 59 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.629 107.2 58.5 -80.4 -12.8 18.2 7.4 57.4 117 117 A G S < S+ 0 0 46 -4,-0.9 -1,-0.2 -5,-0.2 -2,-0.2 0.583 72.1 117.0 -93.9 -11.6 14.6 6.8 58.5 118 118 A V - 0 0 18 -3,-0.4 2,-0.7 -4,-0.3 4,-0.1 -0.406 60.1-142.6 -60.6 122.7 13.6 4.7 55.6 119 119 A Q - 0 0 71 -2,-0.2 2,-0.2 2,-0.1 -1,-0.1 -0.840 68.2 -17.4 -92.0 114.5 12.6 1.3 57.0 120 120 A G S S- 0 0 3 -2,-0.7 2,-0.3 40,-0.1 199,-0.1 -0.632 124.3 -5.5 89.7-150.4 13.8 -1.4 54.6 121 121 A S S S+ 0 0 4 -2,-0.2 21,-3.0 197,-0.1 2,-0.3 -0.573 85.3 112.0 -85.2 137.7 14.6 -0.4 51.0 122 122 A G E -B 141 0B 0 19,-0.3 38,-1.9 -2,-0.3 2,-0.3 -0.968 49.8-102.0-175.4-169.7 14.0 3.1 49.8 123 123 A W E -BC 140 159B 0 17,-2.2 17,-2.0 -2,-0.3 2,-0.4 -0.993 15.1-139.5-140.7 144.6 15.2 6.5 48.6 124 124 A G E -BC 139 158B 0 34,-2.3 34,-3.0 -2,-0.3 2,-0.3 -0.844 32.9-169.2-100.0 139.5 15.7 10.0 50.1 125 125 A W E -BC 138 157B 0 13,-2.5 13,-1.9 -2,-0.4 2,-0.5 -0.974 30.2-156.7-137.5 152.7 14.8 12.9 47.7 126 126 A L E +BC 137 156B 0 30,-2.7 29,-2.5 -2,-0.3 30,-1.5 -0.989 35.3 176.4-119.6 121.8 14.9 16.6 47.3 127 127 A G E -BC 136 154B 0 9,-3.4 9,-3.1 -2,-0.5 2,-0.5 -0.910 31.0-128.6-131.2 161.2 12.1 17.7 45.0 128 128 A F E -BC 135 153B 17 25,-2.2 25,-2.6 -2,-0.3 2,-0.8 -0.924 20.2-141.4-107.6 127.3 10.6 20.8 43.5 129 129 A N E >> -B 134 0B 29 5,-3.1 5,-1.3 -2,-0.5 4,-0.8 -0.857 10.5-164.6 -92.2 115.5 6.9 21.2 43.9 130 130 A K T 45S+ 0 0 118 -2,-0.8 -1,-0.2 21,-0.4 22,-0.1 0.847 84.2 46.1 -65.8 -37.5 5.7 22.7 40.6 131 131 A E T 45S+ 0 0 185 1,-0.2 -1,-0.1 -3,-0.1 -2,-0.0 0.955 119.7 34.4 -75.6 -52.9 2.3 23.7 42.1 132 132 A R T 45S- 0 0 189 2,-0.1 -1,-0.2 1,-0.0 -2,-0.2 0.603 105.6-129.1 -78.7 -10.6 3.2 25.3 45.4 133 133 A G T <5 + 0 0 36 -4,-0.8 2,-0.3 1,-0.2 -3,-0.2 0.952 66.7 87.0 62.9 56.5 6.4 26.7 43.8 134 134 A H E -B 122 0B 73 0, 0.0 3,-2.5 0, 0.0 -19,-0.3 -0.494 69.4 -36.3 -77.0 143.7 9.8 2.9 49.2 142 142 A N T 3 S- 0 0 36 -21,-3.0 -2,-0.1 1,-0.3 177,-0.1 -0.242 124.6 -25.6 48.1-116.2 11.8 0.4 47.2 143 143 A Q T 3 S+ 0 0 0 2,-0.1 -1,-0.3 -22,-0.1 -70,-0.2 0.084 87.7 142.4-113.9 19.9 11.9 1.7 43.6 144 144 A D < - 0 0 31 -3,-2.5 2,-0.2 -75,-0.1 -21,-0.1 -0.514 53.5-124.5 -64.9 119.1 8.7 3.8 43.5 145 145 A P > - 0 0 17 0, 0.0 4,-1.9 0, 0.0 5,-0.2 -0.463 9.1-132.4 -69.8 136.7 9.7 6.9 41.4 146 146 A L H >>S+ 0 0 3 1,-0.2 4,-1.6 2,-0.2 6,-0.6 0.899 99.7 38.8 -53.4 -55.2 9.2 10.3 43.0 147 147 A Q H >5S+ 0 0 111 3,-0.2 4,-1.7 4,-0.2 -1,-0.2 0.910 115.1 50.3 -67.6 -47.1 7.4 12.1 40.1 148 148 A G H 45S+ 0 0 70 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.861 122.7 34.1 -61.5 -33.4 5.2 9.3 38.9 149 149 A T H <5S+ 0 0 60 -4,-1.9 -2,-0.2 3,-0.1 -1,-0.2 0.610 136.9 15.4 -99.2 -11.8 4.0 8.7 42.5 150 150 A T H <5S- 0 0 78 -4,-1.6 -3,-0.2 2,-0.2 -2,-0.2 0.575 86.5-122.6-135.1 -19.8 4.0 12.2 44.0 151 151 A G << + 0 0 43 -4,-1.7 -21,-0.4 -5,-0.5 -4,-0.2 0.334 68.3 133.1 88.4 -10.6 4.2 14.8 41.2 152 152 A L - 0 0 6 -6,-0.6 -1,-0.4 -23,-0.1 -2,-0.2 -0.475 60.7-121.3 -73.0 145.7 7.3 16.2 42.8 153 153 A I E -C 128 0B 27 -25,-2.6 -25,-2.2 -2,-0.1 2,-0.4 -0.839 26.1-124.4 -94.1 119.6 10.2 16.9 40.4 154 154 A P E +C 127 0B 14 0, 0.0 -27,-0.2 0, 0.0 3,-0.1 -0.502 43.1 155.6 -68.1 115.0 13.4 15.0 41.4 155 155 A L E S+ 0 0 0 -29,-2.5 2,-0.4 -2,-0.4 -28,-0.2 0.799 71.8 6.6-102.6 -47.2 16.5 17.2 41.8 156 156 A L E -C 126 0B 2 -30,-1.5 -30,-2.7 36,-0.1 -1,-0.4 -0.997 65.4-175.2-146.4 130.7 18.6 15.0 44.1 157 157 A G E -C 125 0B 2 -2,-0.4 2,-0.5 -32,-0.2 -32,-0.2 -0.949 14.2-152.0-129.5 151.0 18.1 11.5 45.4 158 158 A I E -C 124 0B 1 -34,-3.0 -34,-2.3 -2,-0.3 2,-0.6 -0.950 16.7-141.2-124.5 109.3 20.0 9.3 47.8 159 159 A D E +C 123 0B 0 -2,-0.5 -36,-0.2 -36,-0.2 -44,-0.0 -0.580 24.1 174.9 -69.5 114.0 19.8 5.5 47.2 160 160 A V + 0 0 0 -38,-1.9 -37,-0.1 -2,-0.6 -1,-0.1 0.076 29.9 128.7-112.4 25.4 19.5 3.9 50.7 161 161 A W S > S- 0 0 10 -39,-0.2 3,-1.7 -40,-0.1 4,-0.2 -0.468 72.4-114.6 -71.6 152.7 19.0 0.3 49.7 162 162 A E G >> S+ 0 0 10 1,-0.3 4,-1.1 2,-0.2 3,-0.6 0.628 113.3 66.9 -67.6 -11.2 21.4 -1.9 51.6 163 163 A H G 34 S+ 0 0 3 1,-0.2 -1,-0.3 2,-0.2 4,-0.1 0.485 90.9 66.8 -86.0 -3.0 23.2 -2.9 48.3 164 164 A A G <4 S+ 0 0 3 -3,-1.7 -1,-0.2 1,-0.1 -2,-0.2 0.553 123.1 0.6 -94.3 -9.3 24.4 0.7 48.0 165 165 A Y T <>>S+ 0 0 6 -3,-0.6 4,-2.7 -4,-0.2 5,-0.6 0.339 98.2 101.8-156.9 -2.6 26.8 0.9 50.9 166 166 A Y H X5S+ 0 0 3 -4,-1.1 4,-1.2 3,-0.2 6,-0.1 0.867 79.6 54.0 -62.6 -44.0 26.9 -2.5 52.7 167 167 A L H 45S+ 0 0 17 -5,-0.1 -1,-0.2 2,-0.1 -4,-0.1 0.822 126.7 25.8 -59.7 -30.3 30.1 -3.8 51.3 168 168 A Q H 45S+ 0 0 49 -3,-0.3 -2,-0.2 2,-0.1 -1,-0.1 0.905 138.0 20.3 -96.8 -66.9 31.8 -0.7 52.5 169 169 A Y H ><5S- 0 0 42 -4,-2.7 3,-1.8 1,-0.2 -3,-0.2 0.428 86.5-162.4 -88.2 -0.0 29.8 0.8 55.5 170 170 A K T 3<< - 0 0 59 -4,-1.2 -1,-0.2 -5,-0.6 -2,-0.1 -0.151 68.1 -14.0 51.5-143.8 28.0 -2.4 56.5 171 171 A N T 3 S+ 0 0 52 1,-0.1 2,-1.2 -5,-0.1 -1,-0.3 0.451 114.0 102.4 -66.6 -0.7 24.9 -1.9 58.7 172 172 A V <> + 0 0 50 -3,-1.8 4,-0.9 1,-0.2 3,-0.2 -0.687 41.2 166.5 -93.0 89.8 26.1 1.7 59.3 173 173 A R H > + 0 0 30 -2,-1.2 4,-1.7 1,-0.2 -1,-0.2 0.712 69.1 61.4 -73.6 -28.0 23.9 3.9 57.1 174 174 A P H > S+ 0 0 68 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.866 99.3 56.7 -70.7 -30.9 24.8 7.3 58.6 175 175 A D H > S+ 0 0 88 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.928 108.6 46.7 -62.0 -43.1 28.5 6.9 57.6 176 176 A Y H X S+ 0 0 3 -4,-0.9 4,-2.5 1,-0.2 -1,-0.2 0.899 113.4 50.3 -63.4 -39.9 27.4 6.4 54.0 177 177 A L H X S+ 0 0 0 -4,-1.7 4,-0.5 2,-0.2 -2,-0.2 0.820 107.7 52.0 -67.7 -35.1 25.2 9.4 54.4 178 178 A K H < S+ 0 0 160 -4,-2.5 3,-0.5 1,-0.2 -1,-0.2 0.917 115.4 43.4 -67.5 -39.6 28.0 11.5 55.9 179 179 A A H >< S+ 0 0 12 -4,-2.1 3,-2.4 1,-0.2 4,-0.2 0.841 95.8 72.9 -74.0 -41.1 30.1 10.6 52.9 180 180 A I H >< S+ 0 0 3 -4,-2.5 3,-1.3 1,-0.3 -1,-0.2 0.719 86.3 67.5 -49.8 -28.4 27.6 11.0 50.0 181 181 A W T 3< S+ 0 0 17 -4,-0.5 3,-0.5 -3,-0.5 -1,-0.3 0.695 91.0 63.7 -67.6 -19.6 27.8 14.8 50.3 182 182 A N T < S+ 0 0 76 -3,-2.4 -97,-0.4 1,-0.2 -1,-0.2 0.499 107.4 39.9 -82.9 -7.4 31.4 14.8 49.1 183 183 A V S < S+ 0 0 4 -3,-1.3 -101,-2.2 -4,-0.2 2,-0.5 0.223 81.7 131.4-125.5 14.6 30.5 13.4 45.7 184 184 A I B -A 81 0A 2 -3,-0.5 -98,-2.1 -103,-0.2 2,-1.4 -0.581 52.8-140.2 -79.8 119.3 27.3 15.3 44.9 185 185 A N > + 0 0 17 -105,-4.5 4,-1.5 -2,-0.5 3,-0.3 -0.613 24.4 175.3 -77.7 89.1 27.2 17.0 41.5 186 186 A W H > S+ 0 0 18 -2,-1.4 4,-1.5 1,-0.2 5,-0.2 0.612 74.4 70.5 -70.7 -14.8 25.5 20.3 42.3 187 187 A E H > S+ 0 0 125 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.973 104.9 40.3 -63.8 -48.7 26.0 21.3 38.7 188 188 A N H > S+ 0 0 13 -3,-0.3 4,-2.5 -109,-0.3 5,-0.2 0.864 110.4 56.1 -67.2 -42.7 23.4 18.8 37.8 189 189 A V H X S+ 0 0 0 -4,-1.5 4,-1.0 2,-0.2 -1,-0.2 0.849 111.9 44.6 -60.6 -34.5 21.0 19.5 40.7 190 190 A T H X S+ 0 0 29 -4,-1.5 4,-2.2 2,-0.2 3,-0.3 0.926 110.1 56.4 -73.4 -42.8 20.9 23.2 39.7 191 191 A E H X S+ 0 0 104 -4,-2.1 4,-1.4 1,-0.3 -2,-0.2 0.874 108.5 45.5 -54.7 -44.0 20.5 22.1 36.0 192 192 A R H X S+ 0 0 68 -4,-2.5 4,-1.1 1,-0.2 -1,-0.3 0.777 111.2 55.4 -72.2 -26.0 17.3 20.1 37.0 193 193 A Y H X S+ 0 0 19 -4,-1.0 4,-0.9 -3,-0.3 -2,-0.2 0.845 104.1 52.3 -74.3 -36.1 16.1 23.1 39.0 194 194 A M H < S+ 0 0 92 -4,-2.2 4,-0.4 1,-0.2 3,-0.3 0.896 105.3 56.4 -65.5 -42.2 16.4 25.5 36.0 195 195 A A H < S+ 0 0 81 -4,-1.4 3,-0.3 1,-0.2 -1,-0.2 0.862 116.4 34.2 -57.7 -42.2 14.3 23.2 33.9 196 196 A C H < S+ 0 0 8 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.511 98.6 77.6 -93.7 -6.2 11.4 23.1 36.3 197 197 A K < 0 0 98 -4,-0.9 -1,-0.2 -3,-0.3 -2,-0.2 0.639 360.0 360.0 -73.0 -11.0 11.8 26.7 37.5 198 198 A K 0 0 186 -4,-0.4 -1,-0.2 -3,-0.3 -2,-0.1 0.255 360.0 360.0 10.2 360.0 10.1 27.2 34.1 199 !* 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 0.0 200 1 B K 0 0 177 0, 0.0 2,-0.4 0, 0.0 38,-0.0 0.000 360.0 360.0 360.0 -45.5 11.8 -6.7 78.9 201 2 B H - 0 0 52 33,-0.2 2,-0.4 34,-0.0 37,-0.1 -0.893 360.0-164.9-106.0 136.4 13.2 -7.9 75.6 202 3 B S - 0 0 90 -2,-0.4 3,-0.0 3,-0.0 29,-0.0 -0.917 29.4-110.9-122.6 144.9 16.6 -9.5 75.3 203 4 B L - 0 0 58 -2,-0.4 2,-0.1 1,-0.0 28,-0.1 -0.638 44.1-130.3 -71.3 115.2 18.9 -10.3 72.4 204 5 B P - 0 0 42 0, 0.0 2,-0.3 0, 0.0 -1,-0.0 -0.405 19.7-113.7 -67.7 146.0 18.7 -14.1 72.3 205 6 B D - 0 0 148 1,-0.1 -3,-0.0 -2,-0.1 0, 0.0 -0.626 32.4-105.5 -81.9 142.7 22.0 -16.0 72.2 206 7 B L - 0 0 25 -2,-0.3 -1,-0.1 1,-0.1 4,-0.1 -0.396 19.7-135.2 -64.1 138.9 22.8 -18.0 69.0 207 8 B P S S+ 0 0 91 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.260 88.2 30.1 -80.7 15.6 22.4 -21.7 69.7 208 9 B Y S S- 0 0 30 73,-0.1 2,-0.1 74,-0.0 -2,-0.1 -0.944 98.4 -75.9-158.5 173.3 25.7 -22.1 67.8 209 10 B D > - 0 0 128 -2,-0.3 3,-2.4 1,-0.1 4,-0.3 -0.460 45.8-108.7 -79.5 150.4 29.0 -20.3 67.0 210 11 B Y T 3 S+ 0 0 59 1,-0.3 12,-0.3 -2,-0.1 13,-0.2 0.619 119.8 41.3 -53.7 -16.4 29.1 -17.4 64.4 211 12 B G T > S+ 0 0 30 1,-0.1 3,-1.0 11,-0.1 -1,-0.3 0.260 82.4 101.5-118.2 13.9 31.0 -19.7 62.0 212 13 B A T < S+ 0 0 37 -3,-2.4 -2,-0.1 1,-0.2 -1,-0.1 0.626 81.5 52.0 -71.3 -17.7 29.1 -23.0 62.5 213 14 B L T >> S+ 0 0 3 -4,-0.3 3,-0.9 4,-0.3 4,-0.8 0.379 91.4 158.0 -99.7 -0.7 27.0 -22.6 59.3 214 15 B E T <4 + 0 0 95 -3,-1.0 4,-0.1 1,-0.3 -3,-0.0 -0.324 48.8 30.0 -58.5 147.4 30.1 -21.9 57.1 215 16 B P T 34 S+ 0 0 80 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 -0.999 122.7 47.8 -86.9 -8.3 30.5 -22.2 54.1 216 17 B H T <4 S+ 0 0 51 -3,-0.9 2,-0.4 1,-0.3 -2,-0.2 0.795 128.5 20.8 -63.8 -33.7 26.9 -21.5 53.1 217 18 B I S < S- 0 0 3 -4,-0.8 -1,-0.3 161,-0.1 -4,-0.3 -0.935 92.5-132.2-136.4 109.6 26.7 -18.4 55.3 218 19 B N >> - 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