==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 05-SEP-04 1XDC . COMPND 2 MOLECULE: SUPEROXIDE DISMUTASE [MN], MITOCHONDRIAL; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR I.AYALA,J.J.PERRY,J.SZCZEPANSKI,D.E.CABELLI,J.A.TAINER,M.T.V . 396 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18508.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 293 74.0 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 . 14 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 183 46.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 3.5 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 2 2 0 0 2 3 1 1 1 2 0 0 0 0 0 0 0 0 2 0 0 0 0 2 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 0 179 0, 0.0 38,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 122.5 25.4 32.2 -10.3 2 2 A H - 0 0 70 33,-0.1 2,-0.3 34,-0.0 37,-0.1 -0.124 360.0-165.7 -61.5 158.8 24.3 30.3 -7.2 3 3 A S - 0 0 85 36,-0.0 -1,-0.0 68,-0.0 29,-0.0 -0.975 28.0 -96.6-147.5 159.0 20.7 29.1 -6.7 4 4 A L - 0 0 52 -2,-0.3 28,-0.1 28,-0.0 2,-0.0 -0.667 40.1-139.1 -81.4 109.7 18.4 27.8 -4.0 5 5 A P - 0 0 48 0, 0.0 2,-0.1 0, 0.0 -1,-0.0 -0.334 19.7-114.8 -67.6 146.1 18.2 24.0 -4.1 6 6 A D - 0 0 140 1,-0.1 72,-0.0 2,-0.0 0, 0.0 -0.428 35.1 -99.8 -77.1 156.8 14.9 22.3 -3.7 7 7 A L - 0 0 26 2,-0.2 -1,-0.1 1,-0.1 4,-0.1 -0.526 18.7-130.4 -77.9 143.3 14.2 20.1 -0.6 8 8 A P S S+ 0 0 92 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.320 92.0 22.9 -74.3 11.2 14.5 16.3 -1.0 9 9 A X S S- 0 0 28 73,-0.1 2,-0.2 74,-0.0 -2,-0.2 -0.939 97.3 -70.8-160.7 178.8 11.1 16.2 0.7 10 10 A D > - 0 0 123 -2,-0.3 3,-3.5 1,-0.1 4,-0.2 -0.548 46.6-109.4 -84.3 147.4 7.9 18.2 1.6 11 11 A X T 3 S+ 0 0 75 1,-0.3 12,-0.3 -2,-0.2 3,-0.3 0.714 122.3 43.0 -46.3 -24.6 8.0 21.0 4.1 12 12 A G T > S+ 0 0 31 1,-0.2 3,-1.5 11,-0.1 -1,-0.3 0.324 81.8 103.5-106.7 9.0 6.0 18.8 6.5 13 13 A A T < S+ 0 0 28 -3,-3.5 -1,-0.2 1,-0.3 -2,-0.1 0.474 79.4 53.7 -69.8 -1.8 8.1 15.6 5.9 14 14 A L T >> S+ 0 0 2 4,-0.3 4,-1.1 -3,-0.3 3,-0.6 0.351 89.4 164.7-114.1 4.3 9.9 16.0 9.2 15 15 A E T <4 + 0 0 93 -3,-1.5 4,-0.1 1,-0.3 -3,-0.0 -0.302 53.3 16.8 -64.7 151.0 6.9 16.3 11.5 16 16 A P T 34 S+ 0 0 89 0, 0.0 3,-0.4 0, 0.0 -1,-0.3 -0.990 124.1 55.6 -89.0 -4.1 6.5 16.1 14.4 17 17 A H T <4 S+ 0 0 50 -3,-0.6 2,-0.3 1,-0.3 -2,-0.2 0.810 129.2 12.4 -54.4 -35.8 10.2 16.5 15.1 18 18 A I S < S- 0 0 3 -4,-1.1 -4,-0.3 -6,-0.1 -1,-0.3 -0.842 90.9-130.1-146.4 103.4 10.3 19.8 13.2 19 19 A N > - 0 0 26 -3,-0.4 4,-1.6 -2,-0.3 3,-0.4 -0.004 22.2-110.3 -54.0 159.7 6.9 21.3 12.2 20 20 A A H > S+ 0 0 33 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.822 112.6 62.5 -61.5 -36.8 6.1 22.4 8.7 21 21 A Q H > S+ 0 0 89 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.913 105.2 48.0 -58.6 -41.7 6.1 26.1 9.5 22 22 A I H > S+ 0 0 3 -3,-0.4 4,-3.6 2,-0.2 5,-0.3 0.980 112.2 47.1 -61.3 -57.8 9.8 26.0 10.5 23 23 A M H X S+ 0 0 2 -4,-1.6 4,-2.0 -12,-0.3 5,-0.3 0.864 113.8 50.5 -52.1 -39.0 10.9 24.0 7.4 24 24 A Q H X S+ 0 0 96 -4,-2.6 4,-2.1 2,-0.2 5,-0.5 0.956 116.9 36.8 -66.3 -52.8 8.9 26.4 5.2 25 25 A L H X>S+ 0 0 13 -4,-2.6 4,-2.1 -5,-0.2 5,-1.9 0.943 116.7 54.1 -64.5 -48.0 10.3 29.7 6.7 26 26 A H H <>S+ 0 0 2 -4,-3.6 5,-2.1 -5,-0.3 -2,-0.2 0.877 120.3 30.6 -55.2 -43.3 13.8 28.2 7.1 27 27 A H H <>S+ 0 0 12 -4,-2.0 5,-1.1 -5,-0.3 -2,-0.2 0.966 126.0 37.5 -82.7 -59.0 14.0 27.1 3.5 28 28 A S H <5S+ 0 0 37 -4,-2.1 -3,-0.2 -5,-0.3 -2,-0.2 0.785 132.3 21.9 -67.0 -29.8 12.0 29.6 1.5 29 29 A K T X5S+ 0 0 99 -4,-2.1 4,-2.1 -5,-0.5 -3,-0.2 0.872 126.8 36.7-103.4 -59.4 12.9 32.7 3.5 30 30 A H H >S+ 0 0 9 -4,-2.1 5,-2.2 1,-0.2 4,-0.7 0.889 111.7 50.5 -68.1 -38.8 36.3 45.0 -7.0 49 49 A L H <5S+ 0 0 87 -4,-3.6 3,-0.4 1,-0.2 -2,-0.2 0.858 106.2 57.1 -67.1 -34.2 38.8 42.3 -7.9 50 50 A A H <5S+ 0 0 84 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.871 111.1 41.7 -64.2 -38.4 38.8 43.6 -11.5 51 51 A K H <5S- 0 0 179 -4,-1.4 -1,-0.2 -5,-0.1 -2,-0.2 0.518 109.1-121.1 -87.7 -5.9 39.9 47.0 -10.4 52 52 A G T <5 + 0 0 50 -4,-0.7 2,-1.2 -3,-0.4 -3,-0.2 0.825 53.8 161.9 69.3 29.4 42.4 45.8 -7.8 53 53 A D >< + 0 0 69 -5,-2.2 4,-1.8 1,-0.2 -1,-0.2 -0.714 14.0 178.3 -87.4 93.6 40.5 47.6 -5.1 54 54 A V H > S+ 0 0 88 -2,-1.2 4,-2.8 2,-0.2 5,-0.3 0.914 77.4 53.8 -62.5 -47.8 41.7 45.9 -2.0 55 55 A T H > S+ 0 0 111 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.934 110.2 48.1 -54.9 -46.7 39.7 48.0 0.5 56 56 A A H > S+ 0 0 28 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.879 111.0 51.3 -62.0 -38.7 36.5 47.2 -1.4 57 57 A Q H >X S+ 0 0 29 -4,-1.8 3,-0.7 2,-0.2 4,-0.6 0.953 112.7 44.7 -63.1 -49.9 37.4 43.5 -1.4 58 58 A I H >< S+ 0 0 94 -4,-2.8 3,-1.2 1,-0.2 -2,-0.2 0.901 108.6 57.0 -61.3 -42.6 38.0 43.5 2.3 59 59 A A H 3< S+ 0 0 74 -4,-2.7 4,-0.3 -5,-0.3 -1,-0.2 0.756 107.0 50.9 -62.2 -23.6 34.9 45.5 3.1 60 60 A L H S+ 0 0 67 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.940 111.2 44.1 -55.8 -48.6 31.7 39.9 6.0 63 63 A A H > S+ 0 0 25 -4,-0.3 4,-2.2 2,-0.2 5,-0.5 0.852 114.2 51.5 -64.8 -34.9 28.8 39.6 3.6 64 64 A L H X>S+ 0 0 60 -4,-2.0 4,-2.9 2,-0.2 5,-0.5 0.979 113.4 41.7 -67.3 -54.8 30.6 36.9 1.5 65 65 A K H X5S+ 0 0 96 -4,-2.8 4,-2.3 3,-0.2 5,-0.2 0.910 118.5 47.2 -58.6 -44.2 31.4 34.7 4.5 66 66 A F H X5S+ 0 0 28 -4,-2.4 4,-2.2 -5,-0.3 -2,-0.2 0.951 123.2 29.8 -64.5 -53.4 27.9 35.2 6.1 67 67 A N H X5S+ 0 0 11 -4,-2.2 4,-2.4 -5,-0.2 -29,-0.2 0.876 123.5 49.1 -77.2 -37.5 25.7 34.6 3.0 68 68 A G H X5S+ 0 0 7 -4,-2.9 4,-2.6 -5,-0.5 -3,-0.2 0.940 115.0 45.9 -65.1 -46.0 28.1 32.2 1.3 69 69 A G H X< S+ 0 0 3 -4,-2.0 3,-0.6 1,-0.2 -1,-0.2 0.891 111.2 43.6 -64.6 -39.5 18.7 19.8 4.0 79 79 A T H 3< S+ 0 0 38 -4,-1.0 109,-0.2 -3,-0.4 -1,-0.2 0.714 106.6 62.3 -77.9 -20.9 20.5 16.6 2.8 80 80 A N H 3< S+ 0 0 0 -4,-1.5 105,-3.0 108,-0.1 2,-0.3 0.575 103.2 59.5 -78.4 -13.1 21.4 15.8 6.5 81 81 A L B << +A 184 0A 2 -3,-0.6 103,-0.2 -4,-0.5 3,-0.1 -0.806 62.2 159.2-115.2 158.5 17.7 15.5 7.2 82 82 A S > - 0 0 8 101,-1.8 3,-2.0 -2,-0.3 -73,-0.1 -0.910 50.3-122.2-174.8 146.7 15.1 13.2 5.7 83 83 A P T 3 S+ 0 0 64 0, 0.0 101,-0.1 0, 0.0 -1,-0.1 0.738 119.4 55.1 -66.7 -17.6 11.7 11.7 6.5 84 84 A N T 3 S+ 0 0 145 99,-0.1 99,-0.1 -3,-0.1 100,-0.1 0.161 94.9 98.9 -97.8 15.1 13.5 8.4 6.0 85 85 A G < + 0 0 24 -3,-2.0 100,-0.2 98,-0.1 98,-0.1 0.015 38.6 84.6 -88.2-162.5 16.1 9.3 8.7 86 86 A G + 0 0 21 98,-2.0 100,-0.3 1,-0.2 96,-0.2 -0.332 57.5 65.0 97.2 177.6 16.4 8.4 12.3 87 87 A G S S- 0 0 59 -2,-0.1 -1,-0.2 98,-0.1 97,-0.1 -0.344 90.9 -48.4 70.8-148.3 18.0 5.4 14.1 88 88 A E - 0 0 100 -3,-0.1 6,-0.1 -2,-0.1 2,-0.1 -0.883 49.4-108.0-127.0 156.7 21.7 4.7 13.8 89 89 A P - 0 0 4 0, 0.0 2,-0.3 0, 0.0 98,-0.1 -0.353 34.3-150.2 -76.7 164.2 24.3 4.5 11.0 90 90 A K >> + 0 0 165 96,-0.1 3,-0.7 -2,-0.1 4,-0.6 -0.792 48.8 15.0-129.2 172.5 25.7 1.2 9.9 91 91 A G H 3> S- 0 0 48 -2,-0.3 4,-1.9 1,-0.2 5,-0.2 -0.310 120.2 -9.4 68.4-145.6 29.0 -0.1 8.5 92 92 A E H 3> S+ 0 0 91 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.854 131.8 57.3 -57.5 -42.5 32.2 1.9 8.5 93 93 A L H <> S+ 0 0 0 -3,-0.7 4,-2.2 1,-0.2 -1,-0.2 0.958 109.8 45.6 -56.0 -50.8 30.6 5.2 9.6 94 94 A L H X S+ 0 0 28 -4,-0.6 4,-2.2 1,-0.2 -1,-0.2 0.879 112.3 51.0 -59.3 -40.9 29.3 3.4 12.7 95 95 A E H X S+ 0 0 135 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.897 108.8 51.9 -64.2 -39.8 32.6 1.8 13.3 96 96 A A H X S+ 0 0 3 -4,-2.9 4,-3.5 2,-0.2 5,-0.3 0.907 108.4 51.7 -62.8 -43.2 34.4 5.1 13.0 97 97 A I H X>S+ 0 0 0 -4,-2.2 4,-3.3 2,-0.2 5,-0.6 0.958 112.0 43.7 -58.9 -54.9 32.0 6.7 15.6 98 98 A K H X5S+ 0 0 108 -4,-2.2 4,-1.5 3,-0.2 -1,-0.2 0.892 116.8 51.0 -58.4 -38.2 32.6 4.0 18.2 99 99 A R H <5S+ 0 0 143 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.984 120.0 30.5 -62.5 -60.6 36.3 4.2 17.4 100 100 A D H <5S+ 0 0 50 -4,-3.5 -2,-0.2 1,-0.2 -3,-0.2 0.766 137.7 22.9 -74.5 -27.5 36.7 8.0 17.7 101 101 A F H <5S- 0 0 27 -4,-3.3 2,-0.6 -5,-0.3 -3,-0.2 0.442 101.3-116.9-118.8 -2.5 34.1 8.7 20.3 102 102 A G S < S- 0 0 34 -2,-0.6 4,-2.3 -6,-0.2 5,-0.1 -0.976 76.0-105.4-156.5 160.6 30.1 4.6 21.2 104 104 A F H > S+ 0 0 9 -2,-0.3 4,-2.3 1,-0.2 5,-0.1 0.897 120.9 54.8 -56.8 -39.2 27.3 6.1 19.1 105 105 A D H > S+ 0 0 103 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.926 106.8 46.6 -60.9 -49.8 25.7 7.3 22.3 106 106 A K H > S+ 0 0 118 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.885 109.8 57.1 -61.5 -36.5 28.8 9.2 23.5 107 107 A F H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 5,-0.3 0.951 108.0 46.1 -57.3 -50.5 29.1 10.7 20.0 108 108 A K H X S+ 0 0 62 -4,-2.3 4,-3.0 1,-0.2 5,-0.3 0.936 111.0 51.8 -57.1 -49.3 25.5 12.1 20.3 109 109 A E H X S+ 0 0 143 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.838 112.3 48.1 -57.2 -34.7 26.2 13.4 23.8 110 110 A K H X S+ 0 0 101 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.927 113.8 43.2 -74.2 -46.3 29.3 15.1 22.4 111 111 A L H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.863 113.4 53.6 -68.0 -35.0 27.7 16.7 19.4 112 112 A T H X S+ 0 0 37 -4,-3.0 4,-3.0 -5,-0.3 5,-0.2 0.911 109.8 48.2 -64.3 -42.1 24.7 17.7 21.5 113 113 A A H X S+ 0 0 59 -4,-1.6 4,-2.3 -5,-0.3 -2,-0.2 0.920 111.2 48.9 -64.3 -46.3 27.0 19.5 23.9 114 114 A A H < S+ 0 0 25 -4,-2.3 4,-0.3 2,-0.2 -1,-0.2 0.903 115.7 45.8 -60.3 -40.0 28.9 21.3 21.1 115 115 A S H >< S+ 0 0 0 -4,-2.3 3,-0.9 1,-0.2 -2,-0.2 0.912 115.8 43.3 -69.9 -44.7 25.6 22.3 19.7 116 116 A V H 3< S+ 0 0 57 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.762 106.0 66.0 -72.1 -24.4 24.1 23.4 23.0 117 117 A G T 3< S+ 0 0 51 -4,-2.3 2,-0.4 -5,-0.2 -1,-0.2 0.586 72.1 112.0 -74.8 -9.9 27.3 25.1 23.9 118 118 A V < - 0 0 19 -3,-0.9 2,-0.8 -4,-0.3 4,-0.1 -0.527 58.9-151.0 -69.3 119.0 27.0 27.7 21.2 119 119 A Q S S- 0 0 76 -2,-0.4 2,-0.3 2,-0.1 -2,-0.1 -0.833 70.4 -10.4 -93.1 112.8 26.5 31.1 22.8 120 120 A G S S- 0 0 1 -2,-0.8 2,-0.2 40,-0.1 199,-0.1 -0.772 121.4 -14.3 100.0-146.8 24.4 33.1 20.3 121 121 A S S S+ 0 0 3 -2,-0.3 21,-2.4 40,-0.1 2,-0.3 -0.615 84.3 97.8 -93.1 151.6 23.9 31.9 16.7 122 122 A G E -B 141 0B 0 19,-0.3 38,-2.4 -2,-0.2 2,-0.3 -0.994 54.6 -86.4 165.1-168.0 25.8 29.0 15.1 123 123 A W E -BC 140 159B 0 17,-2.7 17,-2.6 -2,-0.3 2,-0.4 -0.982 16.2-140.9-138.7 148.8 26.2 25.4 14.2 124 124 A G E -BC 139 158B 0 34,-2.1 34,-2.8 -2,-0.3 2,-0.3 -0.907 30.7-164.8-106.6 134.6 27.3 22.1 15.7 125 125 A W E -BC 138 157B 0 13,-3.0 13,-2.0 -2,-0.4 2,-0.6 -0.934 29.3-158.9-129.2 150.3 29.3 19.8 13.4 126 126 A L E +BC 137 156B 0 30,-2.5 29,-2.2 -2,-0.3 30,-1.9 -0.994 41.4 166.2-114.7 115.1 30.5 16.3 13.0 127 127 A G E -BC 136 154B 0 9,-3.2 9,-2.7 -2,-0.6 2,-0.5 -0.741 36.5-112.6-128.4 179.0 33.3 16.5 10.5 128 128 A F E -BC 135 153B 6 25,-1.9 25,-2.6 7,-0.2 2,-0.9 -0.960 15.5-148.2-118.0 126.5 36.2 14.6 9.1 129 129 A N E >> -B 134 0B 25 5,-3.1 4,-1.6 -2,-0.5 5,-1.3 -0.818 10.7-171.4 -92.6 103.9 39.8 15.6 9.6 130 130 A K T 45S+ 0 0 116 -2,-0.9 -1,-0.2 21,-0.3 22,-0.1 0.850 84.7 54.0 -63.1 -35.2 41.6 14.5 6.4 131 131 A E T 45S+ 0 0 185 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.927 119.5 30.9 -65.7 -46.9 45.0 15.3 8.0 132 132 A R T 45S- 0 0 176 2,-0.2 -1,-0.2 0, 0.0 -2,-0.2 0.549 103.4-131.8 -89.1 -10.1 44.4 13.1 11.1 133 133 A G T <5 + 0 0 36 -4,-1.6 2,-0.3 1,-0.2 -3,-0.2 0.883 69.2 91.2 61.0 42.0 42.3 10.7 9.2 134 134 A H E -B 122 0B 70 0, 0.0 3,-2.3 0, 0.0 -19,-0.3 -0.534 69.9 -31.0 -81.8 145.8 29.6 30.8 15.0 142 142 A N T 3 S- 0 0 42 -21,-2.4 -2,-0.1 1,-0.3 177,-0.1 -0.237 124.3 -28.6 51.0-123.4 26.8 32.4 13.0 143 143 A Q T 3 S+ 0 0 0 -21,-0.1 -70,-0.3 2,-0.1 -1,-0.3 0.256 89.7 142.0-107.1 12.0 27.0 31.2 9.4 144 144 A D < - 0 0 23 -3,-2.3 2,-0.1 1,-0.1 -21,-0.1 -0.353 53.0-127.0 -54.4 119.2 30.8 30.6 9.3 145 145 A P > - 0 0 12 0, 0.0 4,-1.7 0, 0.0 5,-0.2 -0.468 5.9-128.8 -74.8 144.4 31.1 27.3 7.3 146 146 A L H >>S+ 0 0 2 2,-0.2 4,-2.5 1,-0.2 5,-0.9 0.949 102.6 37.9 -55.0 -61.1 33.0 24.3 8.6 147 147 A Q H >5S+ 0 0 104 1,-0.2 4,-1.0 3,-0.2 -1,-0.2 0.919 115.4 52.2 -62.6 -45.9 35.3 23.6 5.7 148 148 A G H 45S+ 0 0 68 1,-0.2 -1,-0.2 2,-0.1 -2,-0.2 0.824 123.5 28.0 -62.1 -30.3 36.0 27.2 4.7 149 149 A T H <5S+ 0 0 68 -4,-1.7 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116.5 50.6 -63.3 -46.8 29.8 50.0 28.2 347 148 B G H 45S+ 0 0 68 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.789 122.5 30.9 -63.8 -29.2 32.0 47.0 29.2 348 149 B T H <5S+ 0 0 64 -4,-1.7 -1,-0.2 -3,-0.2 -2,-0.2 0.657 137.0 19.2-104.5 -17.6 33.2 46.3 25.7 349 150 B T H <5S- 0 0 65 -4,-2.3 -3,-0.2 -5,-0.3 -2,-0.2 0.538 89.4-124.6-126.5 -16.0 33.2 49.7 24.1 350 151 B G << + 0 0 47 -4,-1.8 -21,-0.3 -5,-0.7 -4,-0.2 0.227 67.5 131.5 87.5 -16.3 33.2 52.3 26.9 351 152 B L - 0 0 10 -6,-0.6 -1,-0.3 -23,-0.1 -2,-0.2 -0.442 61.5-122.2 -70.8 143.7 30.1 53.9 25.5 352 153 B I E -F 327 0D 28 -25,-2.5 -25,-2.3 -2,-0.1 2,-0.2 -0.780 29.9-120.9 -88.2 123.0 27.3 54.6 27.9 353 154 B P E +F 326 0D 11 0, 0.0 -27,-0.2 0, 0.0 3,-0.1 -0.427 41.2 161.4 -67.8 131.3 24.1 52.9 26.8 354 155 B L E S+ 0 0 1 -29,-2.6 2,-0.4 1,-0.3 -28,-0.2 0.723 70.9 6.2-112.4 -49.6 21.1 55.2 26.2 355 156 B L E -F 325 0D 0 -30,-2.0 -30,-2.6 36,-0.1 2,-0.4 -0.989 66.1-166.6-141.6 129.5 18.8 53.0 24.1 356 157 B G E -F 324 0D 0 -2,-0.4 2,-0.5 -32,-0.2 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1,-0.2 4,-0.2 0.855 100.9 65.0 -69.2 -36.2 7.1 48.5 15.4 379 180 B I H >< S+ 0 0 0 -4,-2.4 3,-2.1 1,-0.3 4,-0.2 0.782 85.9 71.7 -62.0 -26.6 9.4 49.0 18.4 380 181 B W G X< S+ 0 0 14 -4,-0.8 3,-0.8 -3,-0.5 -1,-0.3 0.768 88.3 66.9 -59.6 -22.4 9.7 52.7 17.8 381 182 B N G < S+ 0 0 81 -3,-1.8 -1,-0.3 -4,-0.3 -2,-0.2 0.640 106.0 38.7 -73.3 -14.5 6.1 52.9 19.0 382 183 B V G < S+ 0 0 4 -3,-2.1 -101,-2.3 -4,-0.2 2,-0.3 0.180 76.7 137.2-123.1 19.2 7.1 51.9 22.5 383 184 B I B < -D 280 0C 0 -3,-0.8 -98,-2.3 -103,-0.2 2,-1.5 -0.517 50.0-139.1 -71.2 126.5 10.4 53.7 23.2 384 185 B N > + 0 0 31 -105,-3.6 4,-2.1 -2,-0.3 3,-0.5 -0.669 25.7 176.3 -85.7 86.9 10.5 55.2 26.7 385 186 B W H > S+ 0 0 17 -2,-1.5 4,-2.9 1,-0.2 5,-0.2 0.762 75.8 65.7 -64.4 -24.5 12.1 58.5 25.9 386 187 B E H > S+ 0 0 139 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.940 107.4 41.2 -61.6 -44.6 11.7 59.5 29.5 387 188 B N H > S+ 0 0 18 -3,-0.5 4,-2.4 -109,-0.2 5,-0.2 0.918 112.8 53.4 -69.3 -42.8 14.1 56.7 30.4 388 189 B V H X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.923 109.9 49.2 -58.9 -41.8 16.4 57.4 27.5 389 190 B T H X S+ 0 0 38 -4,-2.9 4,-3.2 2,-0.2 -1,-0.2 0.870 107.9 53.5 -65.8 -36.7 16.7 61.1 28.6 390 191 B E H X S+ 0 0 108 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.939 110.5 46.8 -61.8 -46.7 17.4 60.1 32.2 391 192 B R H < S+ 0 0 65 -4,-2.4 4,-0.3 1,-0.2 -1,-0.2 0.865 114.3 49.3 -62.6 -35.7 20.3 57.9 31.0 392 193 B X H >< S+ 0 0 3 -4,-1.9 3,-1.6 -5,-0.2 4,-0.3 0.933 109.2 50.0 -69.0 -48.2 21.5 60.8 28.7 393 194 B M H >< S+ 0 0 97 -4,-3.2 3,-1.3 1,-0.3 -2,-0.2 0.812 101.7 62.6 -62.8 -30.1 21.3 63.5 31.5 394 195 B A G >< S+ 0 0 41 -4,-1.8 3,-0.6 1,-0.2 -1,-0.3 0.661 96.7 61.8 -69.4 -13.8 23.4 61.3 33.8 395 196 B C G < S+ 0 0 10 -3,-1.6 -1,-0.2 -4,-0.3 -2,-0.2 0.582 80.6 77.8 -87.2 -12.8 26.2 61.5 31.3 396 197 B K G < 0 0 100 -3,-1.3 -1,-0.2 -4,-0.3 -2,-0.1 0.457 360.0 360.0 -74.3 1.2 26.5 65.3 31.6 397 198 B K < 0 0 216 -3,-0.6 -1,-0.2 -4,-0.1 -2,-0.2 0.981 360.0 360.0 -77.6 360.0 28.3 64.4 34.8