==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE (SUPEROXIDE ACCEPTOR) 10-NOV-92 1MSD . COMPND 2 MOLECULE: MANGANESE SUPEROXIDE DISMUTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.SUSSMAN,U.G.WAGNER,K.A.PATTRIDGE,M.L.LUDWIG . 396 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17689.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 308 77.8 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 . 18 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 57 14.4 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 . 13 3.3 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 2 2 2 0 2 0 0 0 0 0 0 0 2 0 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 0 197 0, 0.0 2,-0.4 0, 0.0 35,-0.1 0.000 360.0 360.0 360.0 153.0 5.0 24.3 -10.1 2 2 A H - 0 0 53 33,-0.1 2,-0.3 34,-0.0 37,-0.1 -0.976 360.0-157.8-119.8 145.2 7.0 23.6 -6.9 3 3 A S - 0 0 78 -2,-0.4 29,-0.0 36,-0.0 0, 0.0 -0.896 21.2-106.4-129.0 150.6 8.7 20.3 -6.3 4 4 A L - 0 0 59 -2,-0.3 28,-0.1 1,-0.1 3,-0.0 -0.615 36.3-127.1 -71.8 118.5 10.0 18.2 -3.4 5 5 A P - 0 0 41 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.332 20.7-120.4 -52.5 140.0 13.8 18.1 -3.1 6 6 A D - 0 0 150 2,-0.0 0, 0.0 1,-0.0 0, 0.0 -0.705 37.2-112.9 -76.7 143.8 15.3 14.6 -2.9 7 7 A L - 0 0 21 -2,-0.3 4,-0.1 2,-0.1 68,-0.0 -0.567 23.6-117.1 -83.1 148.7 17.2 14.6 0.4 8 8 A P S S+ 0 0 93 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.349 93.9 26.9 -81.8 13.4 21.1 14.3 -0.0 9 9 A Y S S- 0 0 22 73,-0.0 -2,-0.1 74,-0.0 2,-0.1 -0.941 97.5 -87.3-159.0 153.3 21.4 11.0 1.7 10 10 A D > - 0 0 124 -2,-0.3 3,-0.7 1,-0.1 4,-0.2 -0.489 44.7-104.1 -68.9 159.4 19.1 8.0 2.2 11 11 A Y G > S+ 0 0 46 1,-0.3 3,-1.2 2,-0.2 12,-0.2 0.897 124.3 57.1 -38.6 -49.3 16.7 8.1 5.2 12 12 A G G > S+ 0 0 36 1,-0.3 3,-2.3 2,-0.1 -1,-0.3 0.871 85.0 80.2 -52.5 -47.5 19.1 5.6 6.7 13 13 A A G < S+ 0 0 39 -3,-0.7 -1,-0.3 1,-0.3 -2,-0.2 0.428 87.0 57.6 -54.4 -4.1 22.2 7.8 6.4 14 14 A L G X> S+ 0 0 0 -3,-1.2 4,-2.2 -4,-0.2 3,-0.8 0.328 84.8 161.6-112.6 17.0 21.3 9.8 9.5 15 15 A E T <4 + 0 0 102 -3,-2.3 4,-0.1 1,-0.3 -3,-0.0 -0.450 53.9 13.5 -65.6 139.0 21.2 6.9 12.0 16 16 A P T 34 S+ 0 0 84 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 -0.963 123.6 54.8 -99.2 6.6 21.3 6.8 15.0 17 17 A H T <4 S+ 0 0 45 -3,-0.8 2,-0.4 1,-0.3 -2,-0.2 0.907 128.2 9.6 -66.9 -42.4 20.9 10.5 15.5 18 18 A I S < S- 0 0 3 -4,-2.2 -1,-0.3 -6,-0.1 2,-0.2 -0.994 92.6-127.3-132.2 124.2 17.7 10.8 13.6 19 19 A N > - 0 0 28 -2,-0.4 4,-2.2 -3,-0.2 3,-0.4 -0.511 15.1-117.3 -81.0 153.4 16.3 7.5 12.7 20 20 A A H > S+ 0 0 16 2,-0.2 4,-2.5 -2,-0.2 -8,-0.1 0.718 112.5 64.2 -53.5 -23.2 15.3 6.6 9.1 21 21 A Q H > S+ 0 0 85 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.965 107.5 43.8 -66.3 -41.9 11.6 6.1 10.1 22 22 A I H > S+ 0 0 5 -3,-0.4 4,-3.0 1,-0.2 -2,-0.2 0.916 116.5 45.4 -63.5 -45.2 11.6 9.9 10.9 23 23 A M H X S+ 0 0 0 -4,-2.2 4,-1.8 2,-0.2 5,-0.4 0.935 108.3 58.0 -66.8 -37.6 13.5 10.8 7.7 24 24 A Q H X S+ 0 0 93 -4,-2.5 4,-1.5 1,-0.2 5,-0.3 0.938 117.9 31.7 -50.8 -56.8 11.2 8.5 5.7 25 25 A L H X>S+ 0 0 19 -4,-2.0 5,-2.8 3,-0.2 4,-0.6 0.844 112.0 61.3 -73.7 -43.9 8.1 10.5 6.8 26 26 A H H <>S+ 0 0 3 -4,-3.0 5,-2.4 1,-0.2 -1,-0.2 0.888 117.5 30.8 -53.0 -44.5 9.6 14.1 7.2 27 27 A H H <5S+ 0 0 11 -4,-1.8 5,-0.4 -5,-0.2 -1,-0.2 0.831 131.3 31.5 -77.9 -46.5 10.6 14.3 3.6 28 28 A S H <5S+ 0 0 51 -4,-1.5 4,-0.3 -5,-0.4 -3,-0.2 0.950 132.0 22.1 -87.4 -64.6 7.9 12.2 2.0 29 29 A K T X5S+ 0 0 102 -4,-0.6 4,-1.2 -5,-0.3 -3,-0.2 0.970 133.2 34.9 -73.7 -52.0 4.7 12.5 4.0 30 30 A H H > S+ 0 0 34 -5,-0.4 4,-2.2 -4,-0.3 5,-0.2 0.840 99.7 59.5 -65.1 -33.1 5.5 16.8 0.3 33 33 A A H X S+ 0 0 43 -4,-1.2 4,-1.9 1,-0.2 -1,-0.2 0.953 107.9 46.2 -53.5 -49.7 2.3 17.9 2.0 34 34 A Y H X S+ 0 0 13 -4,-1.4 4,-2.3 2,-0.2 -2,-0.2 0.896 109.5 52.2 -68.1 -39.6 3.6 21.5 2.1 35 35 A V H X S+ 0 0 6 -4,-1.9 4,-2.8 2,-0.2 -1,-0.2 0.963 111.1 47.5 -61.4 -48.2 4.8 21.6 -1.5 36 36 A N H X S+ 0 0 91 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.890 114.3 44.3 -61.4 -42.4 1.5 20.4 -2.8 37 37 A N H X S+ 0 0 64 -4,-1.9 4,-2.2 -5,-0.2 -1,-0.2 0.843 110.1 58.2 -72.0 -27.7 -0.6 22.8 -0.8 38 38 A L H X S+ 0 0 8 -4,-2.3 4,-3.1 -5,-0.2 5,-0.3 0.978 108.7 46.8 -59.4 -52.7 1.9 25.6 -1.7 39 39 A N H X S+ 0 0 23 -4,-2.8 4,-1.9 2,-0.2 -2,-0.2 0.946 111.9 46.7 -54.2 -60.0 1.2 24.9 -5.3 40 40 A V H X S+ 0 0 71 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.937 118.3 44.9 -46.9 -47.4 -2.7 24.8 -4.9 41 41 A T H X S+ 0 0 8 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.905 111.7 48.7 -64.9 -49.2 -2.6 28.1 -2.9 42 42 A E H X S+ 0 0 84 -4,-3.1 4,-1.8 2,-0.2 -1,-0.2 0.786 112.1 53.4 -60.0 -32.7 -0.1 30.0 -5.1 43 43 A E H >X S+ 0 0 99 -4,-1.9 4,-2.0 -5,-0.3 3,-0.6 0.990 113.2 40.6 -60.2 -67.3 -2.4 28.9 -8.0 44 44 A K H 3X S+ 0 0 99 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.782 112.8 56.3 -52.7 -32.8 -5.4 30.3 -6.2 45 45 A Y H 3X S+ 0 0 58 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.835 105.7 49.0 -81.3 -27.3 -3.4 33.4 -5.2 46 46 A Q H S+ 0 0 7 -4,-2.6 5,-2.7 1,-0.2 9,-0.2 0.794 113.1 54.2 -63.6 -29.1 -7.4 36.2 -6.9 49 49 A L H ><5S+ 0 0 101 -4,-1.6 3,-1.8 3,-0.2 -1,-0.2 0.932 106.5 54.3 -62.7 -43.2 -4.6 38.8 -7.3 50 50 A A H 3<5S+ 0 0 90 -4,-1.4 -2,-0.2 -3,-0.3 -1,-0.2 0.824 108.6 46.4 -62.2 -42.4 -5.6 38.9 -11.0 51 51 A K T 3<5S- 0 0 140 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.338 113.4-121.7 -74.4 3.0 -9.2 39.7 -10.0 52 52 A G T < 5 + 0 0 49 -3,-1.8 2,-1.9 -5,-0.2 -3,-0.2 0.768 53.4 165.0 56.1 28.1 -7.8 42.4 -7.5 53 53 A D >>< + 0 0 68 -5,-2.7 4,-2.6 1,-0.2 3,-0.7 -0.387 16.1 178.6 -90.2 80.2 -9.6 40.5 -4.8 54 54 A V H 3> S+ 0 0 89 -2,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.690 73.4 52.6 -58.1 -26.9 -8.2 41.7 -1.6 55 55 A T H 3> S+ 0 0 115 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.958 113.5 42.7 -82.9 -32.3 -10.3 39.6 0.9 56 56 A A H <> S+ 0 0 31 -3,-0.7 4,-2.2 2,-0.2 -2,-0.2 0.823 112.6 54.9 -78.6 -25.8 -9.6 36.3 -0.7 57 57 A Q H < S+ 0 0 27 -4,-2.6 4,-0.3 -9,-0.2 -2,-0.2 0.995 110.7 44.6 -59.5 -53.3 -6.0 37.3 -1.1 58 58 A I H >< S+ 0 0 98 -4,-2.1 3,-1.0 1,-0.2 -2,-0.2 0.852 112.0 53.8 -59.7 -35.3 -5.8 38.0 2.7 59 59 A A H 3X S+ 0 0 63 -4,-2.2 4,-0.6 1,-0.2 -1,-0.2 0.935 103.7 54.9 -64.3 -41.8 -7.6 34.8 3.4 60 60 A L H 3X S+ 0 0 22 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.570 89.4 89.8 -71.5 5.5 -5.0 32.7 1.4 61 61 A Q H <> S+ 0 0 107 -3,-1.0 4,-2.7 -4,-0.3 -1,-0.2 0.860 82.3 43.7 -76.1 -43.5 -2.2 34.2 3.5 62 62 A P H > S+ 0 0 78 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.862 115.5 53.1 -70.9 -29.2 -1.8 31.8 6.5 63 63 A A H X S+ 0 0 29 -4,-0.6 4,-1.9 2,-0.2 5,-0.5 0.956 110.2 46.9 -64.4 -47.1 -2.1 29.0 4.0 64 64 A L H X S+ 0 0 58 -4,-1.8 4,-3.3 1,-0.2 5,-0.4 0.977 114.3 46.1 -65.0 -54.9 0.7 30.5 1.9 65 65 A K H X>S+ 0 0 82 -4,-2.7 4,-1.8 3,-0.2 5,-0.6 0.913 112.3 50.8 -56.9 -43.5 3.0 31.1 4.9 66 66 A F H X5S+ 0 0 22 -4,-2.6 4,-0.8 1,-0.2 -1,-0.2 0.927 125.6 25.3 -58.0 -48.3 2.5 27.6 6.5 67 67 A N H X5S+ 0 0 10 -4,-1.9 4,-1.2 -5,-0.2 -29,-0.2 0.805 124.4 52.4 -87.1 -33.1 3.2 25.7 3.3 68 68 A G H >X5S+ 0 0 17 -4,-3.3 4,-2.3 -5,-0.5 3,-1.3 0.995 120.4 33.5 -61.8 -65.2 5.4 28.4 1.8 69 69 A G H 3X5S+ 0 0 4 -4,-1.8 4,-3.1 -5,-0.4 5,-0.3 0.866 116.9 58.4 -61.6 -32.8 7.5 28.6 4.8 70 70 A G H 3XX S+ 0 0 1 -4,-3.1 4,-2.1 -5,-0.2 3,-0.6 0.999 115.3 40.0 -63.1 -59.1 12.2 25.7 6.1 74 74 A H H 3X S+ 0 0 0 -4,-0.8 4,-1.5 -5,-0.3 -2,-0.2 0.798 110.4 59.6 -62.0 -32.1 12.3 21.9 5.5 75 75 A S H 3X S+ 0 0 21 -4,-2.0 4,-0.8 2,-0.2 -1,-0.2 0.889 108.5 44.1 -63.3 -38.2 14.3 22.4 2.2 76 76 A I H X S+ 0 0 2 -4,-2.1 4,-1.0 2,-0.2 3,-0.9 0.921 97.3 50.6 -52.6 -54.3 17.0 21.5 6.8 78 78 A W H >< S+ 0 0 3 -4,-1.5 3,-1.2 1,-0.3 -1,-0.2 0.898 111.3 50.5 -54.2 -39.8 18.1 18.5 4.7 79 79 A T H 3< S+ 0 0 37 -4,-0.8 -1,-0.3 1,-0.3 -2,-0.2 0.862 102.6 59.3 -68.0 -33.8 21.0 20.4 3.4 80 80 A N H << S+ 0 0 0 -4,-1.8 105,-1.9 -3,-0.9 2,-0.3 0.769 103.5 67.9 -70.3 -13.5 22.1 21.4 6.9 81 81 A L B << +A 184 0A 3 -3,-1.2 103,-0.2 -4,-1.0 -67,-0.0 -0.767 54.4 141.2-108.6 147.5 22.4 17.6 7.7 82 82 A S > - 0 0 15 101,-2.0 3,-0.8 -2,-0.3 104,-0.1 -0.837 49.4-124.4-171.2 144.6 24.9 14.9 6.3 83 83 A P T 3 S+ 0 0 61 0, 0.0 -1,-0.1 0, 0.0 101,-0.1 0.949 117.4 45.6 -58.2 -51.3 26.8 11.9 7.7 84 84 A N T 3 S+ 0 0 131 99,-0.1 2,-0.2 101,-0.0 99,-0.1 0.288 107.1 84.6 -80.0 11.5 30.2 13.2 6.6 85 85 A G < + 0 0 11 -3,-0.8 100,-0.3 97,-0.1 99,-0.2 -0.453 61.2 74.7 -89.5 179.9 28.9 16.4 8.1 86 86 A G + 0 0 12 98,-2.5 2,-0.4 97,-0.3 100,-0.2 -0.568 51.5 76.4 106.7-177.2 29.1 17.1 11.8 87 87 A G S S- 0 0 44 94,-0.3 97,-0.1 -2,-0.2 -1,-0.1 -0.614 92.4 -21.6 80.7-118.9 31.8 18.2 14.2 88 88 A E - 0 0 104 -2,-0.4 2,-0.3 0, 0.0 6,-0.1 -0.907 63.9-108.7-131.1 135.0 33.0 21.9 14.3 89 89 A P - 0 0 1 0, 0.0 2,-0.2 0, 0.0 15,-0.1 -0.517 38.7-139.7 -67.6 124.4 32.7 24.6 11.5 90 90 A K >> - 0 0 158 -2,-0.3 4,-0.7 4,-0.1 3,-0.7 -0.553 52.7 -16.1 -75.4 159.3 36.2 25.1 10.1 91 91 A G H 3> S+ 0 0 45 1,-0.2 4,-2.0 -2,-0.2 3,-0.2 -0.041 121.5 10.0 56.7-145.6 37.6 28.6 9.2 92 92 A E H 3> S+ 0 0 91 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.730 127.4 49.7 -34.2 -55.1 35.5 31.8 8.7 93 93 A L H <> S+ 0 0 0 -3,-0.7 4,-2.5 2,-0.2 3,-0.4 0.978 110.8 50.5 -57.2 -57.8 32.2 30.5 10.0 94 94 A L H X S+ 0 0 38 -4,-0.7 4,-2.6 1,-0.2 -2,-0.2 0.870 110.8 50.6 -43.2 -46.0 33.8 29.2 13.2 95 95 A E H X S+ 0 0 94 -4,-2.0 4,-3.1 2,-0.2 -1,-0.2 0.920 108.2 49.9 -64.0 -44.1 35.5 32.5 13.7 96 96 A A H X S+ 0 0 3 -4,-2.8 4,-2.9 -3,-0.4 5,-0.4 0.967 110.3 52.1 -57.4 -48.3 32.3 34.5 13.3 97 97 A I H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 5,-0.4 0.920 112.4 46.8 -49.4 -43.0 30.7 32.0 15.9 98 98 A K H X S+ 0 0 81 -4,-2.6 4,-1.3 -5,-0.2 -2,-0.2 0.947 112.8 48.4 -65.4 -43.0 33.6 32.9 18.2 99 99 A R H < S+ 0 0 147 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.821 122.0 34.5 -72.2 -27.5 33.2 36.5 17.5 100 100 A D H < S+ 0 0 42 -4,-2.9 -2,-0.2 -5,-0.2 -1,-0.2 0.739 131.8 21.9-104.9 -24.3 29.5 36.4 18.2 101 101 A F H < S- 0 0 20 -4,-2.5 2,-0.7 -5,-0.4 -3,-0.2 0.421 100.1-118.4-121.2 0.8 28.8 33.9 20.9 102 102 A G S < S+ 0 0 51 -4,-1.3 2,-0.3 -5,-0.4 -4,-0.1 -0.231 84.9 8.8 93.6 -51.0 32.3 33.8 22.4 103 103 A S S > S- 0 0 47 -2,-0.7 4,-3.3 -6,-0.3 5,-0.2 -0.984 79.8-102.1-154.3 162.9 33.0 30.2 21.7 104 104 A F H > S+ 0 0 32 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 0.878 122.4 48.2 -59.7 -36.4 31.4 27.2 19.7 105 105 A D H > S+ 0 0 104 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.906 111.2 49.3 -73.2 -32.1 30.1 25.7 22.9 106 106 A K H > S+ 0 0 91 1,-0.2 4,-2.4 2,-0.2 3,-0.3 0.977 112.9 48.1 -64.4 -55.4 28.6 29.0 24.0 107 107 A F H X S+ 0 0 0 -4,-3.3 4,-1.4 1,-0.2 -2,-0.2 0.853 110.5 53.4 -44.2 -41.8 27.1 29.2 20.5 108 108 A K H X S+ 0 0 40 -4,-2.1 4,-1.9 -5,-0.2 -2,-0.2 0.895 110.7 44.9 -67.2 -36.5 25.8 25.6 20.9 109 109 A E H X S+ 0 0 119 -4,-2.0 4,-2.5 -3,-0.3 -2,-0.2 0.862 109.4 55.5 -71.5 -44.2 24.1 26.3 24.2 110 110 A K H X S+ 0 0 89 -4,-2.4 4,-1.5 -5,-0.2 -1,-0.2 0.828 113.3 42.2 -57.8 -33.8 22.6 29.5 22.8 111 111 A L H X S+ 0 0 0 -4,-1.4 4,-2.1 -5,-0.2 -2,-0.2 0.844 113.4 48.6 -87.9 -31.8 21.0 27.5 19.9 112 112 A T H X S+ 0 0 37 -4,-1.9 4,-3.2 2,-0.2 5,-0.3 0.912 111.1 59.3 -62.3 -40.2 19.8 24.5 22.0 113 113 A A H X S+ 0 0 58 -4,-2.5 4,-1.3 2,-0.2 -2,-0.2 0.924 107.9 38.8 -47.8 -62.6 18.5 27.3 24.1 114 114 A A H < S+ 0 0 26 -4,-1.5 3,-0.4 2,-0.2 -2,-0.2 0.954 121.0 46.2 -51.7 -57.5 16.3 28.9 21.4 115 115 A S H >< S+ 0 0 0 -4,-2.1 3,-1.5 1,-0.2 -2,-0.2 0.864 110.2 50.5 -57.7 -47.3 15.2 25.4 20.1 116 116 A V H 3< S+ 0 0 59 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.804 109.3 53.6 -69.6 -28.2 14.4 23.7 23.4 117 117 A G T 3< + 0 0 49 -4,-1.3 2,-1.3 -3,-0.4 -1,-0.3 0.195 68.8 129.5 -88.4 15.8 12.2 26.7 24.4 118 118 A V < - 0 0 16 -3,-1.5 2,-0.7 4,-0.1 4,-0.1 -0.578 58.0-140.1 -72.9 100.0 9.9 26.8 21.3 119 119 A Q S S- 0 0 85 -2,-1.3 2,-0.4 2,-0.1 -2,-0.1 -0.568 71.3 -20.9 -52.8 103.0 6.6 26.8 23.2 120 120 A G S S- 0 0 2 -2,-0.7 2,-0.4 21,-0.1 -2,-0.1 -0.715 123.3 -8.5 97.8-140.2 4.6 24.5 20.9 121 121 A S S S+ 0 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- 0 0 75 -2,-0.4 29,-0.0 36,-0.0 0, 0.0 -0.897 20.9-107.3-128.9 150.2 -1.4 18.3 41.2 203 4 B L - 0 0 58 -2,-0.3 28,-0.1 1,-0.1 3,-0.0 -0.618 36.5-127.6 -71.6 118.1 -1.7 15.9 38.2 204 5 B P - 0 0 41 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.335 20.3-120.1 -52.9 141.0 -5.2 14.2 38.0 205 6 B D - 0 0 151 2,-0.0 0, 0.0 1,-0.0 0, 0.0 -0.699 37.0-113.1 -76.4 144.9 -5.1 10.5 37.8 206 7 B L - 0 0 21 -2,-0.3 4,-0.1 2,-0.1 68,-0.0 -0.572 23.8-117.1 -83.7 148.9 -6.8 9.6 34.4 207 8 B P S S+ 0 0 94 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.373 93.7 27.0 -81.9 14.1 -10.2 7.8 34.8 208 9 B Y S S- 0 0 23 73,-0.0 -2,-0.1 74,-0.0 2,-0.1 -0.947 97.4 -87.0-160.1 153.4 -9.2 4.6 33.1 209 10 B D > - 0 0 124 -2,-0.3 3,-0.7 1,-0.1 4,-0.2 -0.502 44.2-105.0 -69.1 159.5 -5.8 2.9 32.6 210 11 B Y G > S+ 0 0 45 1,-0.3 3,-1.2 2,-0.2 12,-0.2 0.890 124.2 57.1 -36.7 -52.7 -3.7 3.8 29.7 211 12 B G G > S+ 0 0 36 1,-0.2 3,-2.5 2,-0.1 -1,-0.3 0.874 85.6 80.6 -47.9 -48.6 -4.8 0.6 28.2 212 13 B A G < S+ 0 0 41 -3,-0.7 -1,-0.2 1,-0.3 -2,-0.2 0.432 87.0 56.7 -55.1 -3.1 -8.6 1.4 28.4 213 14 B L G X> S+ 0 0 0 -3,-1.2 4,-2.0 -4,-0.2 3,-0.6 0.333 85.1 161.2-113.4 15.7 -8.6 3.6 25.2 214 15 B E T <4 + 0 0 104 -3,-2.5 4,-0.1 1,-0.3 -3,-0.0 -0.409 54.0 14.1 -64.4 139.4 -7.2 1.0 22.8 215 16 B P T 34 S+ 0 0 82 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 -0.972 123.7 54.4 -98.8 4.8 -7.3 0.8 19.8 216 17 B H T <4 S+ 0 0 46 -3,-0.6 2,-0.4 1,-0.3 -2,-0.2 0.892 128.7 9.7 -65.1 -41.7 -8.4 4.4 19.2 217 18 B I S < S- 0 0 3 -4,-2.0 -1,-0.3 -6,-0.1 2,-0.2 -0.995 92.1-127.5-134.7 123.8 -5.6 5.9 21.2 218 19 B N > - 0 0 26 -2,-0.4 4,-2.2 -3,-0.2 3,-0.4 -0.501 15.1-117.8 -80.5 151.8 -3.0 3.5 22.2 219 20 B A H > S+ 0 0 15 2,-0.2 4,-2.5 1,-0.2 -8,-0.1 0.712 112.2 64.4 -54.4 -22.1 -1.7 3.1 25.8 220 21 B Q H > S+ 0 0 86 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.959 107.8 43.0 -67.0 -42.8 1.9 4.1 24.8 221 22 B I H > S+ 0 0 6 -3,-0.4 4,-2.9 2,-0.2 -2,-0.2 0.923 116.4 46.4 -63.8 -46.5 0.4 7.5 23.9 222 23 B M H X S+ 0 0 1 -4,-2.2 4,-1.7 2,-0.2 5,-0.4 0.928 108.3 57.7 -66.2 -34.2 -1.8 7.6 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-44,-0.0 -0.710 25.2 171.0 -76.0 123.9 -5.7 17.7 21.3 359 160 B V + 0 0 0 -38,-2.1 -37,-0.2 -2,-0.5 2,-0.1 0.218 35.5 125.3-118.1 6.7 -4.2 17.9 17.8 360 161 B W S > S- 0 0 9 -39,-0.6 3,-2.4 -40,-0.2 4,-0.3 -0.504 76.7-115.7 -49.9 135.8 -0.7 18.6 19.1 361 162 B E G >> S+ 0 0 9 1,-0.3 4,-3.1 2,-0.2 3,-1.5 0.777 112.5 69.3 -58.7 -25.9 1.4 15.9 17.4 362 163 B H G 34 S+ 0 0 4 1,-0.3 -1,-0.3 2,-0.2 -133,-0.1 0.412 92.2 64.2 -61.4 -10.7 2.2 14.4 20.8 363 164 B A G <4 S- 0 0 1 -3,-2.4 -1,-0.3 -138,-0.0 -2,-0.2 0.673 126.2 -1.7 -89.6 -24.8 -1.4 13.3 20.9 364 165 B Y T X>>S+ 0 0 8 -3,-1.5 3,-2.4 -4,-0.3 4,-2.1 0.534 98.3 99.6-138.2 -26.7 -1.4 10.9 17.9 365 166 B Y H 3X5S+ 0 0 4 -4,-3.1 4,-1.5 1,-0.3 -3,-0.1 0.786 78.8 59.2 -43.7 -41.6 1.9 10.8 16.2 366 167 B L H 345S+ 0 0 22 -5,-0.2 -1,-0.3 2,-0.1 -4,-0.1 0.526 125.3 23.3 -67.3 -11.1 3.3 7.4 17.7 367 168 B Q H <45S+ 0 0 45 -3,-2.4 -2,-0.2 2,-0.1 -1,-0.1 0.575 135.9 26.2-117.9 -68.9 0.3 5.9 16.2 368 169 B Y H ><5S- 0 0 39 -4,-2.1 3,-1.5 1,-0.2 -3,-0.2 0.676 82.0-167.3 -82.7 -6.5 -1.1 7.8 13.3 369 170 B K T 3< + 0 0 37 -3,-1.5 3,-1.8 1,-0.2 4,-1.4 -0.415 40.9 166.6 -91.4 74.8 -2.2 11.4 9.5 372 173 B R H >> S+ 0 0 25 -2,-1.6 4,-1.9 1,-0.3 3,-0.7 0.913 74.4 57.0 -49.8 -51.6 -4.0 13.8 11.9 373 174 B P H 3> S+ 0 0 63 0, 0.0 4,-1.7 0, 0.0 -1,-0.3 0.640 100.7 58.8 -61.3 -14.1 -7.5 13.1 10.5 374 175 B D H <> S+ 0 0 85 -3,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.929 107.8 46.3 -77.6 -41.1 -7.1 9.2 11.2 375 176 B Y H < S+ 0 0 118 -4,-1.7 3,-0.7 -5,-0.2 4,-0.4 0.969 111.4 48.3 -68.7 -45.4 -11.7 9.6 13.2 378 179 B A H >< S+ 0 0 11 -4,-2.4 3,-1.2 1,-0.2 4,-0.4 0.857 100.3 70.3 -49.1 -45.5 -10.7 7.1 16.0 379 180 B I H >< S+ 0 0 0 -4,-2.3 3,-1.7 1,-0.2 4,-0.3 0.864 84.4 65.3 -47.5 -44.1 -11.3 9.7 18.6 380 181 B W G X< S+ 0 0 13 -4,-0.8 3,-1.4 -3,-0.7 -94,-0.3 0.835 93.2 63.2 -50.5 -33.8 -15.2 9.7 18.3 381 182 B N G < S+ 0 0 78 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.2 0.664 108.1 39.0 -70.0 -24.0 -15.4 6.1 19.6 382 183 B V G < S+ 0 0 4 -3,-1.7 -101,-1.8 -4,-0.4 2,-1.1 0.155 81.9 131.3-106.0 11.8 -14.0 6.9 23.1 383 184 B I B < -D 280 0C 0 -3,-1.4 -98,-2.5 -4,-0.3 2,-2.4 -0.496 53.4-144.5 -78.7 105.2 -15.8 10.3 23.4 384 185 B N >> + 0 0 21 -105,-2.0 4,-1.8 -2,-1.1 3,-1.6 -0.320 23.3 177.0 -69.3 80.6 -17.4 10.2 26.8 385 186 B W H 3> S+ 0 0 3 -2,-2.4 4,-2.5 1,-0.3 5,-0.2 0.798 72.6 71.2 -55.1 -30.0 -20.6 12.0 26.0 386 187 B E H 3> S+ 0 0 90 2,-0.2 4,-1.0 1,-0.2 -1,-0.3 0.892 109.1 34.7 -56.1 -38.0 -21.9 11.5 29.6 387 188 B N H <> S+ 0 0 22 -3,-1.6 4,-1.9 2,-0.2 5,-0.3 0.937 112.0 56.7 -85.9 -46.7 -19.2 14.1 30.8 388 189 B V H X S+ 0 0 0 -4,-1.8 4,-1.6 1,-0.3 -2,-0.2 0.883 110.6 50.3 -47.8 -38.7 -19.3 16.4 27.8 389 190 B T H X S+ 0 0 32 -4,-2.5 4,-3.1 -5,-0.3 -1,-0.3 0.923 103.8 56.6 -62.5 -43.8 -23.0 16.6 28.7 390 191 B E H X S+ 0 0 141 -4,-1.0 4,-1.9 1,-0.2 -2,-0.2 0.885 110.3 45.2 -59.9 -34.5 -22.3 17.4 32.4 391 192 B R H X S+ 0 0 60 -4,-1.9 4,-0.6 2,-0.2 -1,-0.2 0.869 112.5 54.2 -73.0 -40.6 -20.2 20.4 31.3 392 193 B Y H >< S+ 0 0 16 -4,-1.6 3,-1.5 -5,-0.3 4,-0.4 0.973 107.2 46.7 -55.0 -61.5 -23.0 21.2 29.0 393 194 B M H >< S+ 0 0 87 -4,-3.1 3,-1.9 1,-0.2 -2,-0.2 0.928 101.3 68.1 -54.5 -42.6 -25.8 21.2 31.6 394 195 B A H 3< S+ 0 0 72 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.722 91.7 63.1 -42.0 -31.3 -23.6 23.4 34.0 395 196 B C T << S- 0 0 18 -3,-1.5 -1,-0.3 -4,-0.6 -2,-0.2 0.711 81.2-169.2 -74.9 -27.2 -23.9 26.3 31.6 396 197 B K < 0 0 164 -3,-1.9 -3,-0.1 -4,-0.4 -2,-0.1 0.678 360.0 360.0 15.2 87.0 -27.8 26.8 31.8 397 198 B K 0 0 184 -66,-0.0 -1,-0.2 -65,-0.0 -68,-0.0 0.621 360.0 360.0 59.8 360.0 -29.1 29.2 29.1