==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 04-JAN-96 1VAR . COMPND 2 MOLECULE: MANGANESE SUPEROXIDE DISMUTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR G.E.O.BORGSTAHL,H.E.PARGE,J.A.TAINER . 396 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18123.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 297 75.0 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 . 20 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 180 45.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.8 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 2 2 2 0 2 3 1 2 0 1 1 0 0 0 0 1 1 2 0 0 0 0 0 0 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 0 206 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 164.4 12.9 1.2 23.8 2 2 A H - 0 0 54 33,-0.2 2,-0.4 34,-0.1 37,-0.1 -0.979 360.0-167.8-126.6 143.7 15.2 1.8 26.8 3 3 A S - 0 0 88 -2,-0.4 29,-0.0 33,-0.0 33,-0.0 -0.949 31.4-111.3-131.4 144.5 19.0 1.6 27.1 4 4 A L - 0 0 53 -2,-0.4 2,-0.2 28,-0.1 28,-0.1 -0.579 44.8-132.0 -68.3 123.2 21.3 1.6 30.1 5 5 A P - 0 0 42 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.524 20.3-101.7 -79.0 156.7 23.0 5.0 29.8 6 6 A D - 0 0 151 -2,-0.2 72,-0.0 1,-0.1 0, 0.0 -0.397 34.4-114.2 -72.3 150.9 26.7 5.4 30.1 7 7 A L - 0 0 20 2,-0.2 -1,-0.1 1,-0.1 4,-0.1 -0.680 20.9-134.9 -81.8 138.6 28.1 6.7 33.4 8 8 A P S S+ 0 0 93 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.031 89.2 28.5 -90.6 35.5 29.6 10.1 32.8 9 9 A Y S S- 0 0 28 73,-0.1 2,-0.3 74,-0.0 -2,-0.2 -0.825 96.9 -95.6-161.6-172.9 32.7 9.2 34.9 10 10 A D > - 0 0 110 -2,-0.3 3,-2.3 1,-0.0 4,-0.4 -0.816 45.3 -86.5-117.6 167.3 34.3 5.8 35.5 11 11 A Y T 3 S+ 0 0 78 -2,-0.3 12,-0.3 1,-0.3 13,-0.2 0.409 125.8 41.0 -53.2 4.5 33.8 3.4 38.4 12 12 A G T > S+ 0 0 27 11,-0.1 3,-2.4 2,-0.1 -1,-0.3 0.505 79.0 96.3-130.6 -7.3 36.5 5.1 40.4 13 13 A A T < S+ 0 0 28 -3,-2.3 -2,-0.1 1,-0.3 6,-0.1 0.709 89.0 54.3 -59.1 -12.6 36.0 8.8 39.8 14 14 A L T 3> S+ 0 0 1 -4,-0.4 4,-2.1 4,-0.2 3,-0.5 0.419 86.7 153.0-105.5 4.6 34.0 8.7 43.1 15 15 A E T <4 + 0 0 99 -3,-2.4 4,-0.1 1,-0.3 -3,-0.1 -0.411 59.0 21.2 -73.6 148.7 36.6 7.2 45.4 16 16 A P T 4 S+ 0 0 91 0, 0.0 -1,-0.3 0, 0.0 3,-0.3 -0.983 125.5 51.8 -85.7 -6.9 37.0 7.4 48.2 17 17 A H T 4 S+ 0 0 48 -3,-0.5 2,-0.5 1,-0.3 -2,-0.2 0.897 128.6 10.7 -54.7 -51.7 33.4 8.5 48.8 18 18 A I S < S- 0 0 5 -4,-2.1 -1,-0.3 161,-0.1 -4,-0.2 -0.970 94.4-129.1-131.0 109.4 31.7 5.7 46.9 19 19 A N >> - 0 0 34 -2,-0.5 4,-1.9 -3,-0.3 3,-0.8 -0.165 16.7-109.6 -61.6 156.0 34.1 3.0 46.1 20 20 A A H 3> S+ 0 0 31 1,-0.3 4,-1.7 2,-0.2 5,-0.2 0.786 112.6 59.2 -51.2 -43.5 34.6 1.4 42.6 21 21 A Q H 3> S+ 0 0 83 1,-0.2 4,-2.2 2,-0.2 5,-0.3 0.883 109.9 45.2 -59.2 -39.6 33.2 -2.0 43.4 22 22 A I H <> S+ 0 0 5 -3,-0.8 4,-2.8 2,-0.2 5,-0.3 0.927 110.2 51.9 -70.6 -44.2 29.9 -0.3 44.3 23 23 A M H X S+ 0 0 2 -4,-1.9 4,-1.3 -12,-0.3 -2,-0.2 0.801 115.5 43.3 -65.9 -23.8 29.8 2.0 41.3 24 24 A Q H X S+ 0 0 92 -4,-1.7 4,-2.9 -13,-0.2 5,-0.5 0.956 117.1 41.1 -83.6 -60.6 30.3 -0.9 39.0 25 25 A L H X>S+ 0 0 18 -4,-2.2 5,-1.5 -5,-0.2 4,-1.2 0.902 117.4 52.4 -54.0 -41.4 28.0 -3.6 40.5 26 26 A H H <>S+ 0 0 3 -4,-2.8 5,-2.1 -5,-0.3 6,-0.3 0.982 119.0 31.3 -61.0 -55.1 25.4 -0.8 41.0 27 27 A H H <5S+ 0 0 9 -4,-1.3 5,-0.2 -5,-0.3 -2,-0.2 0.866 129.7 33.2 -69.0 -48.6 25.4 0.5 37.4 28 28 A S H <5S+ 0 0 38 -4,-2.9 -1,-0.2 -5,-0.2 -3,-0.2 0.478 129.4 33.8 -90.6 -11.7 26.2 -2.6 35.4 29 29 A K T X5S+ 0 0 92 -4,-1.2 4,-1.6 -5,-0.5 -3,-0.2 0.735 127.6 23.8-104.6 -68.3 24.4 -5.0 37.5 30 30 A H H >> S+ 0 0 32 -6,-0.3 4,-1.6 -5,-0.2 -1,-0.3 0.858 104.0 51.9 -74.0 -35.3 21.0 -3.1 33.9 33 33 A A H S+ 0 0 3 -4,-2.0 5,-2.7 1,-0.2 -2,-0.2 0.916 114.3 53.7 -50.3 -39.6 -2.4 -7.1 27.5 49 49 A L H ><5S+ 0 0 94 -4,-3.2 3,-1.4 3,-0.2 -1,-0.2 0.880 105.6 49.2 -62.9 -45.9 -3.4 -3.6 26.4 50 50 A A H 3<5S+ 0 0 87 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.928 113.5 45.9 -63.6 -44.9 -4.4 -4.5 22.8 51 51 A K T 3<5S- 0 0 127 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.262 109.9-126.1 -79.3 10.3 -6.5 -7.5 24.0 52 52 A G T < 5 + 0 0 47 -3,-1.4 2,-1.2 1,-0.2 -3,-0.2 0.815 49.3 166.3 47.4 33.3 -8.0 -5.2 26.6 53 53 A D >< - 0 0 55 -5,-2.7 4,-2.2 -6,-0.3 -1,-0.2 -0.699 13.5-179.7 -82.4 94.5 -7.0 -7.9 29.2 54 54 A V H > S+ 0 0 96 -2,-1.2 4,-2.5 1,-0.2 5,-0.2 0.800 77.8 60.5 -69.4 -27.9 -7.4 -5.9 32.4 55 55 A T H > S+ 0 0 117 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.932 109.8 43.1 -64.0 -40.4 -6.3 -8.8 34.6 56 56 A A H > S+ 0 0 23 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.934 111.6 52.4 -69.9 -47.6 -3.0 -8.8 32.7 57 57 A Q H < S+ 0 0 32 -4,-2.2 4,-0.4 1,-0.2 3,-0.3 0.955 113.4 46.0 -55.3 -43.1 -2.6 -5.0 32.8 58 58 A T H >< S+ 0 0 79 -4,-2.5 3,-1.4 1,-0.2 -1,-0.2 0.922 110.1 51.9 -66.3 -45.5 -3.2 -5.1 36.5 59 59 A A H 3< S+ 0 0 65 -4,-2.4 4,-0.4 1,-0.3 -1,-0.2 0.797 109.7 51.1 -63.9 -29.0 -0.8 -8.1 37.1 60 60 A L T 3X S+ 0 0 38 -4,-2.2 4,-1.7 -3,-0.3 -1,-0.3 0.427 85.1 90.9 -86.9 -5.1 2.0 -6.3 35.3 61 61 A Q H X> S+ 0 0 110 -3,-1.4 4,-1.7 -4,-0.4 3,-0.8 0.991 83.9 48.3 -57.0 -60.4 1.7 -3.1 37.2 62 62 A P H 3> S+ 0 0 67 0, 0.0 4,-2.7 0, 0.0 5,-0.3 0.857 111.9 48.8 -49.1 -43.2 4.2 -3.9 40.0 63 63 A A H 3> S+ 0 0 26 -4,-0.4 4,-2.4 1,-0.2 5,-0.3 0.884 112.8 49.5 -65.2 -35.7 7.0 -5.0 37.6 64 64 A L H X S+ 0 0 4 -4,-2.0 3,-1.6 1,-0.2 4,-1.0 0.956 99.5 53.5 -59.4 -58.9 21.3 9.4 40.2 78 78 A W H >< S+ 0 0 4 -4,-2.2 3,-0.9 1,-0.3 -1,-0.2 0.879 110.4 49.2 -46.9 -39.5 24.3 9.0 37.9 79 79 A T H 3< S+ 0 0 41 -4,-1.2 -1,-0.3 1,-0.2 109,-0.2 0.748 103.7 60.5 -75.5 -23.1 23.9 12.6 36.8 80 80 A N H << S+ 0 0 0 -3,-1.6 105,-4.0 -4,-1.2 2,-0.5 0.662 96.1 73.5 -76.0 -17.6 23.6 13.8 40.4 81 81 A L B << +A 184 0A 3 -4,-1.0 103,-0.2 -3,-0.9 3,-0.1 -0.865 57.8 168.4-102.0 130.4 27.1 12.5 41.2 82 82 A S > - 0 0 11 101,-2.7 3,-2.0 -2,-0.5 104,-0.1 -0.992 38.6-137.5-143.9 136.7 30.3 14.1 39.9 83 83 A P T 3 S+ 0 0 64 0, 0.0 -1,-0.1 0, 0.0 101,-0.1 0.819 112.6 46.0 -58.8 -31.3 34.0 13.7 40.8 84 84 A N T 3 S+ 0 0 140 99,-0.1 99,-0.1 -3,-0.1 100,-0.0 -0.023 101.4 103.8-102.9 36.4 34.4 17.5 40.8 85 85 A G < + 0 0 27 -3,-2.0 100,-0.2 97,-0.1 98,-0.1 0.119 32.3 81.9 -94.4-151.4 31.2 17.9 42.8 86 86 A G + 0 0 19 98,-2.6 2,-0.3 94,-0.1 100,-0.3 -0.134 52.1 90.2 78.0-176.8 30.4 18.7 46.5 87 87 A G S S- 0 0 57 94,-0.3 -1,-0.1 98,-0.1 97,-0.1 -0.700 86.2 -54.5 92.9-149.7 30.3 22.1 48.0 88 88 A E - 0 0 101 -2,-0.3 6,-0.1 1,-0.1 98,-0.1 -0.928 53.3-105.5-128.9 149.8 27.2 24.2 48.0 89 89 A P - 0 0 4 0, 0.0 2,-0.3 0, 0.0 98,-0.1 -0.243 37.9-157.7 -67.5 175.5 25.0 25.1 45.2 90 90 A K + 0 0 153 96,-0.1 3,-0.4 97,-0.0 4,-0.2 -0.902 50.4 33.6-145.5 165.7 25.3 28.7 44.1 91 91 A G S >> S- 0 0 54 -2,-0.3 4,-1.0 1,-0.2 3,-0.6 -0.368 120.8 -23.0 80.7-159.0 23.0 30.9 42.2 92 92 A E H >> S+ 0 0 76 1,-0.2 4,-2.8 2,-0.2 3,-1.2 0.887 128.4 66.8 -57.9 -44.2 19.3 30.6 42.5 93 93 A L H 3> S+ 0 0 0 -3,-0.4 4,-2.9 1,-0.3 -1,-0.2 0.866 104.2 46.5 -42.2 -51.3 19.2 27.0 43.7 94 94 A L H <> S+ 0 0 23 -3,-0.6 4,-1.9 1,-0.2 -1,-0.3 0.790 112.0 50.3 -61.1 -38.2 20.9 28.0 47.0 95 95 A E H S- 0 0 37 -6,-0.3 4,-1.8 1,-0.0 5,-0.1 -0.944 80.1 -94.3-169.4 172.5 19.7 27.5 55.2 104 104 A F H > S+ 0 0 11 -2,-0.3 4,-2.2 2,-0.2 5,-0.1 0.798 119.4 54.6 -71.7 -29.5 21.8 24.9 53.4 105 105 A D H > S+ 0 0 87 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.911 108.2 47.7 -73.0 -39.7 22.7 23.0 56.6 106 106 A K H > S+ 0 0 113 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.925 112.0 51.1 -64.3 -43.0 19.1 22.6 57.6 107 107 A F H X S+ 0 0 0 -4,-1.8 4,-2.7 1,-0.2 5,-0.3 0.937 110.5 49.7 -57.3 -45.1 18.4 21.4 54.1 108 108 A K H X S+ 0 0 66 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.890 111.2 48.2 -60.2 -45.8 21.3 19.0 54.5 109 109 A E H X S+ 0 0 122 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.975 112.5 49.1 -62.1 -50.3 20.0 17.7 57.8 110 110 A K H X S+ 0 0 114 -4,-2.7 4,-2.9 1,-0.2 5,-0.2 0.917 112.2 45.0 -56.7 -53.6 16.4 17.2 56.5 111 111 A L H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.862 114.2 51.5 -64.1 -29.2 17.4 15.3 53.3 112 112 A T H X S+ 0 0 38 -4,-1.8 4,-2.5 -5,-0.3 -2,-0.2 0.907 111.1 48.4 -70.1 -39.5 19.8 13.2 55.5 113 113 A A H X S+ 0 0 62 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.937 111.5 49.7 -63.1 -46.3 16.9 12.5 57.9 114 114 A A H X S+ 0 0 28 -4,-2.9 4,-0.5 2,-0.2 -2,-0.2 0.922 115.7 41.5 -62.7 -40.2 14.6 11.5 55.1 115 115 A S H >< S+ 0 0 0 -4,-2.0 3,-0.7 1,-0.2 -1,-0.2 0.891 114.2 51.9 -78.1 -34.5 17.0 9.2 53.5 116 116 A V H 3< S+ 0 0 57 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.849 107.5 55.6 -71.8 -25.9 18.1 7.7 56.8 117 117 A G H 3< S+ 0 0 48 -4,-2.3 2,-0.3 -5,-0.2 -1,-0.2 0.588 70.7 113.9 -87.0 -6.8 14.5 7.0 57.7 118 118 A V << - 0 0 19 -3,-0.7 2,-0.6 -4,-0.5 4,-0.1 -0.510 64.1-137.9 -70.9 122.8 13.2 4.9 54.8 119 119 A Q S S- 0 0 73 -2,-0.3 2,-0.2 2,-0.1 -1,-0.1 -0.810 70.4 -14.4 -83.1 116.2 12.5 1.5 56.3 120 120 A G S S- 0 0 4 -2,-0.6 2,-0.2 40,-0.1 199,-0.1 -0.548 123.4 -5.5 88.8-150.6 13.8 -1.1 53.9 121 121 A S S S+ 0 0 3 -2,-0.2 21,-2.9 199,-0.1 2,-0.3 -0.509 85.8 108.4 -80.8 143.6 14.7 -0.1 50.3 122 122 A G E -B 141 0B 0 19,-0.3 38,-1.9 -2,-0.2 2,-0.3 -0.978 52.0-102.6 174.2-172.6 14.0 3.3 49.1 123 123 A W E -BC 140 159B 0 17,-2.3 17,-2.3 -2,-0.3 2,-0.4 -0.958 14.7-139.9-139.6 153.8 15.3 6.8 48.0 124 124 A G E -BC 139 158B 0 34,-2.1 34,-2.5 -2,-0.3 2,-0.3 -0.876 32.6-171.8-112.9 142.8 15.5 10.2 49.6 125 125 A W E -BC 138 157B 0 13,-2.4 13,-2.3 -2,-0.4 2,-0.5 -0.998 31.8-152.8-145.5 149.5 14.7 13.1 47.2 126 126 A L E +BC 137 156B 0 30,-1.7 29,-2.6 -2,-0.3 30,-1.7 -0.941 39.5 170.8-112.5 127.3 14.7 16.8 46.9 127 127 A G E -BC 136 154B 0 9,-3.4 9,-3.0 -2,-0.5 2,-0.6 -0.877 34.4-111.8-135.7 172.6 12.1 17.7 44.4 128 128 A F E -BC 135 153B 11 25,-1.9 25,-2.6 -2,-0.3 2,-1.3 -0.945 13.6-151.0-114.4 119.7 10.3 20.6 42.9 129 129 A N E >> -B 134 0B 29 5,-2.4 4,-1.9 -2,-0.6 5,-1.4 -0.807 15.0-174.9 -85.9 94.1 6.6 21.1 43.7 130 130 A K T 45S+ 0 0 137 -2,-1.3 -1,-0.2 21,-0.5 22,-0.1 0.822 80.3 57.8 -62.2 -32.3 5.7 22.9 40.5 131 131 A E T 45S+ 0 0 178 20,-0.2 -1,-0.2 1,-0.2 -2,-0.1 0.983 117.1 30.1 -62.4 -58.0 2.2 23.5 41.8 132 132 A R T 45S- 0 0 172 2,-0.2 -2,-0.2 1,-0.0 -1,-0.2 0.613 104.9-126.4 -76.8 -18.2 3.3 25.4 45.0 133 133 A G T <5S+ 0 0 37 -4,-1.9 2,-0.3 1,-0.2 -3,-0.2 0.928 70.9 94.5 72.2 47.5 6.4 26.8 43.4 134 134 A H E S-B 122 0B 68 0, 0.0 3,-2.3 0, 0.0 -19,-0.3 -0.686 73.2 -29.3 -82.7 146.4 9.9 3.0 48.8 142 142 A N T 3 S- 0 0 40 -21,-2.9 -2,-0.1 -2,-0.3 19,-0.1 -0.232 124.6 -28.4 46.6-124.6 11.7 0.6 46.6 143 143 A Q T 3 S+ 0 0 0 -21,-0.1 -1,-0.2 2,-0.1 -70,-0.2 0.142 84.7 151.0-110.7 25.4 11.9 2.0 43.0 144 144 A D < - 0 0 31 -3,-2.3 2,-0.1 -75,-0.1 -21,-0.1 -0.322 49.0-122.7 -58.8 125.0 8.8 4.1 43.1 145 145 A P > - 0 0 19 0, 0.0 4,-1.7 0, 0.0 5,-0.1 -0.466 12.6-137.0 -68.1 145.3 9.5 7.0 40.7 146 146 A L H >>S+ 0 0 3 2,-0.2 4,-1.3 1,-0.2 6,-0.6 0.965 97.1 40.5 -69.4 -56.9 9.2 10.4 42.3 147 147 A Q H >5S+ 0 0 110 3,-0.2 4,-2.5 4,-0.2 3,-0.3 0.928 117.9 49.0 -60.8 -44.3 7.3 12.4 39.6 148 148 A G H 45S+ 0 0 68 1,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.982 119.0 34.9 -59.6 -60.7 5.0 9.5 38.8 149 149 A T H <5S+ 0 0 56 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.531 140.1 13.6 -74.4 -2.1 4.0 8.6 42.3 150 150 A T H <5S- 0 0 74 -4,-1.3 -3,-0.2 -3,-0.3 -2,-0.2 0.616 87.0-121.7-147.4 -24.1 4.0 12.2 43.6 151 151 A G << + 0 0 44 -4,-2.5 -21,-0.5 -5,-0.6 2,-0.4 0.499 66.7 131.5 87.2 0.3 4.2 14.9 40.9 152 152 A L - 0 0 5 -6,-0.6 -1,-0.3 -23,-0.1 -23,-0.2 -0.725 62.1-122.1 -86.7 135.5 7.4 16.4 42.3 153 153 A I E -C 128 0B 28 -25,-2.6 -25,-1.9 -2,-0.4 2,-0.3 -0.716 30.2-124.5 -77.2 120.3 10.2 17.1 39.8 154 154 A P E +C 127 0B 15 0, 0.0 -27,-0.2 0, 0.0 3,-0.1 -0.492 42.5 160.5 -69.0 126.2 13.2 15.1 41.0 155 155 A L E + 0 0 0 -29,-2.6 2,-0.4 -2,-0.3 -28,-0.2 0.722 69.6 12.6-110.7 -41.4 16.2 17.4 41.4 156 156 A L E -C 126 0B 2 -30,-1.7 -30,-1.7 36,-0.1 2,-0.4 -0.944 65.9-170.8-144.9 114.4 18.5 15.3 43.7 157 157 A G E -C 125 0B 1 -2,-0.4 2,-0.6 -32,-0.2 -32,-0.2 -0.904 7.8-164.5-115.7 139.5 18.1 11.6 44.6 158 158 A I E -C 124 0B 2 -34,-2.5 -34,-2.1 -2,-0.4 2,-0.6 -0.960 19.9-139.4-118.3 114.1 20.0 9.6 47.2 159 159 A D E +C 123 0B 0 -2,-0.6 -36,-0.2 -36,-0.2 -44,-0.0 -0.637 22.4 178.0 -78.4 119.8 19.7 5.9 46.8 160 160 A V + 0 0 0 -38,-1.9 2,-0.2 -2,-0.6 -37,-0.2 0.197 35.0 124.6-109.9 20.4 19.3 4.2 50.2 161 161 A W S > S- 0 0 5 -39,-0.2 3,-3.0 1,-0.1 4,-0.4 -0.552 74.1-116.1 -73.2 148.0 19.0 0.6 49.1 162 162 A E G >> S+ 0 0 7 1,-0.3 4,-3.0 -2,-0.2 3,-2.2 0.826 114.7 64.5 -57.4 -31.2 21.6 -1.5 50.8 163 163 A H G 34 S+ 0 0 1 1,-0.3 -1,-0.3 2,-0.2 4,-0.1 0.654 92.3 66.9 -67.1 -13.8 23.2 -2.3 47.5 164 164 A A G <4 S- 0 0 2 -3,-3.0 -1,-0.3 1,-0.1 -2,-0.2 0.670 127.5 -2.5 -78.0 -14.9 24.0 1.4 47.3 165 165 A Y T X>>S+ 0 0 6 -3,-2.2 4,-2.3 -4,-0.4 3,-0.8 0.451 96.2 106.0-156.2 -0.5 26.4 1.2 50.2 166 166 A Y H 3X5S+ 0 0 2 -4,-3.0 4,-1.4 1,-0.2 6,-0.1 0.881 78.9 51.9 -61.6 -50.2 26.6 -2.2 51.9 167 167 A L H 345S+ 0 0 23 -5,-0.2 -1,-0.2 2,-0.1 -4,-0.1 0.649 124.3 31.2 -59.3 -19.9 30.1 -3.6 50.7 168 168 A Q H <45S+ 0 0 45 -3,-0.8 -2,-0.2 2,-0.1 -1,-0.1 0.845 134.5 17.8-105.1 -61.2 31.6 -0.3 51.9 169 169 A Y H ><5S- 0 0 42 -4,-2.3 3,-1.8 1,-0.2 -3,-0.2 0.474 86.0-159.7 -94.6 -5.2 29.8 1.2 54.9 170 170 A K T 3<< - 0 0 49 -4,-1.4 -1,-0.2 -5,-0.6 -2,-0.1 -0.220 69.5 -14.1 57.8-146.9 27.9 -1.9 56.0 171 171 A N T 3 S+ 0 0 50 1,-0.2 2,-1.9 191,-0.1 -1,-0.3 0.564 111.9 105.4 -61.0 -4.9 24.9 -1.3 58.2 172 172 A V X> + 0 0 49 -3,-1.8 3,-1.8 1,-0.2 4,-1.3 -0.195 36.4 160.1 -84.2 61.3 26.2 2.3 58.6 173 173 A R H 3> + 0 0 27 -2,-1.9 4,-1.6 1,-0.3 -1,-0.2 0.718 69.5 60.3 -50.4 -29.0 23.8 4.2 56.4 174 174 A P H 3> S+ 0 0 58 0, 0.0 4,-1.9 0, 0.0 -1,-0.3 0.883 104.4 51.0 -72.3 -27.3 24.5 7.6 58.1 175 175 A D H <> S+ 0 0 70 -3,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.913 106.1 52.9 -68.8 -45.6 28.2 7.3 57.1 176 176 A Y H X S+ 0 0 3 -4,-1.3 4,-2.0 1,-0.2 -1,-0.2 0.901 111.0 50.6 -57.0 -36.2 27.4 6.6 53.5 177 177 A L H X S+ 0 0 0 -4,-1.6 4,-0.7 -5,-0.2 -2,-0.2 0.840 103.8 54.7 -70.9 -37.5 25.3 9.8 53.8 178 178 A K H < S+ 0 0 137 -4,-1.9 3,-0.3 1,-0.2 -1,-0.2 0.862 112.5 48.0 -59.3 -39.9 28.0 11.9 55.2 179 179 A A H >< S+ 0 0 10 -4,-1.9 3,-2.5 1,-0.2 4,-0.4 0.913 97.1 64.7 -64.6 -55.7 30.1 10.9 52.2 180 180 A I H >< S+ 0 0 1 -4,-2.0 3,-1.0 1,-0.3 -1,-0.2 0.696 87.7 72.6 -49.6 -21.1 27.7 11.5 49.4 181 181 A W T 3< S+ 0 0 14 -4,-0.7 3,-0.4 -3,-0.3 -94,-0.3 0.723 92.2 57.2 -69.2 -18.5 27.7 15.2 50.1 182 182 A N T < S+ 0 0 81 -3,-2.5 -1,-0.2 -96,-0.2 -2,-0.2 0.610 109.9 42.9 -84.1 -18.1 31.3 15.4 48.6 183 183 A V S < S+ 0 0 3 -3,-1.0 -101,-2.7 -4,-0.4 2,-0.4 0.124 80.9 128.5-117.4 21.1 30.4 14.0 45.3 184 184 A I B -A 81 0A 2 -3,-0.4 -98,-2.6 -103,-0.2 2,-1.4 -0.648 56.2-135.2 -86.0 131.9 27.1 15.8 44.6 185 185 A N > + 0 0 20 -105,-4.0 4,-1.9 -2,-0.4 3,-0.3 -0.647 27.4 173.9 -88.1 87.1 26.8 17.5 41.3 186 186 A W H > S+ 0 0 13 -2,-1.4 4,-2.4 -100,-0.3 5,-0.2 0.767 76.4 64.6 -64.0 -25.3 25.3 20.9 42.1 187 187 A E H > S+ 0 0 132 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.952 107.4 41.5 -62.3 -49.3 25.8 22.0 38.5 188 188 A N H > S+ 0 0 22 -3,-0.3 4,-3.5 -109,-0.2 5,-0.3 0.911 113.9 49.6 -67.0 -48.1 23.2 19.3 37.4 189 189 A V H X S+ 0 0 0 -4,-1.9 4,-2.7 1,-0.2 -1,-0.2 0.929 110.4 51.8 -61.9 -38.5 20.7 19.8 40.2 190 190 A T H X S+ 0 0 34 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.876 111.7 49.4 -59.2 -36.7 20.8 23.6 39.5 191 191 A E H X S+ 0 0 109 -4,-1.3 4,-1.9 2,-0.2 -2,-0.2 0.963 110.3 47.0 -65.2 -56.1 20.1 22.6 35.9 192 192 A R H < S+ 0 0 66 -4,-3.5 -2,-0.2 1,-0.2 -1,-0.2 0.833 115.1 49.3 -56.6 -31.6 17.2 20.3 36.9 193 193 A Y H >X S+ 0 0 2 -4,-2.7 3,-1.6 -5,-0.3 4,-0.6 0.903 105.7 56.2 -73.5 -43.8 16.0 23.2 39.1 194 194 A M H >< S+ 0 0 80 -4,-2.6 3,-1.0 1,-0.3 -2,-0.2 0.853 101.9 55.5 -53.7 -44.5 16.4 25.7 36.3 195 195 A A T 3< S+ 0 0 50 -4,-1.9 3,-0.3 1,-0.2 -1,-0.3 0.432 99.8 62.7 -70.0 -4.3 14.1 23.8 33.9 196 196 A C T <4 S+ 0 0 10 -3,-1.6 2,-0.7 1,-0.2 -1,-0.2 0.628 98.1 53.9 -92.0 -26.9 11.3 23.8 36.6 197 197 A K << 0 0 101 -3,-1.0 -1,-0.2 -4,-0.6 -4,-0.0 -0.642 360.0 360.0-105.1 61.7 11.1 27.6 36.5 198 198 A K 0 0 223 -2,-0.7 -1,-0.2 -3,-0.3 -2,-0.2 0.343 360.0 360.0-143.9 360.0 10.6 27.3 32.8 199 !* 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 0 190 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -34.3 12.0 -6.1 77.9 201 2 B H - 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0 0 27 -2,-0.5 4,-1.9 -3,-0.2 3,-1.7 -0.291 16.4-119.7 -61.5 138.7 30.1 -16.2 55.5 219 20 B A H 3> S+ 0 0 24 1,-0.3 4,-1.7 2,-0.2 -1,-0.1 0.623 110.4 64.2 -50.7 -22.1 30.8 -15.3 59.1 220 21 B Q H 3> S+ 0 0 91 2,-0.2 4,-1.5 3,-0.1 -1,-0.3 0.853 106.6 43.7 -72.5 -35.9 31.2 -11.6 58.3 221 22 B I H <> S+ 0 0 2 -3,-1.7 4,-2.9 2,-0.2 5,-0.3 0.916 113.5 51.8 -68.9 -50.7 27.5 -11.6 57.2 222 23 B M H X S+ 0 0 1 -4,-1.9 4,-1.5 -12,-0.3 5,-0.3 0.825 111.0 47.7 -55.5 -36.8 26.5 -13.6 60.3 223 24 B Q H X S+ 0 0 99 -4,-1.7 4,-1.5 -5,-0.2 5,-0.3 0.856 116.0 41.9 -75.6 -38.6 28.4 -11.2 62.6 224 25 B L H X>S+ 0 0 19 -4,-1.5 5,-2.4 3,-0.2 4,-1.5 0.861 114.3 52.9 -71.7 -43.3 26.9 -8.0 61.1 225 26 B H H <>S+ 0 0 2 -4,-2.9 5,-3.0 3,-0.2 6,-0.2 0.921 120.3 30.3 -60.0 -49.0 23.3 -9.5 60.8 226 27 B H H <>S+ 0 0 11 -4,-1.5 5,-0.7 -5,-0.3 -2,-0.2 0.955 128.6 36.1 -76.9 -50.9 23.1 -10.7 64.5 227 28 B S H <5S+ 0 0 35 -4,-1.5 -3,-0.2 -5,-0.3 -2,-0.2 0.718 133.0 21.3 -76.9 -33.5 25.3 -8.1 66.3 228 29 B K T X5S+ 0 0 95 -4,-1.5 4,-2.3 -5,-0.3 -3,-0.2 0.805 129.0 32.3-100.6 -61.5 24.4 -5.1 64.3 229 30 B H H ><>S+ 0 0 7 -4,-2.1 5,-2.8 1,-0.2 3,-0.6 0.875 115.0 46.2 -60.3 -38.8 0.7 7.4 74.2 248 49 B L H ><5S+ 0 0 87 -4,-2.8 3,-2.0 1,-0.2 -1,-0.2 0.895 105.1 60.0 -70.4 -41.0 -1.8 4.6 75.1 249 50 B A H 3<5S+ 0 0 84 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.566 111.7 41.0 -62.1 -16.7 -2.1 5.7 78.7 250 51 B K T <<5S- 0 0 160 -4,-0.6 -1,-0.3 -3,-0.6 -2,-0.2 0.241 109.3-121.8-112.7 7.2 -3.4 9.1 77.5 251 52 B G T < 5 + 0 0 51 -3,-2.0 2,-1.4 1,-0.2 -3,-0.2 0.902 51.0 167.3 50.8 41.2 -5.6 7.6 74.8 252 53 B D >< - 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