==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER MEMBRANE PROTEIN 08-MAR-12 4E2H . COMPND 2 MOLECULE: CHAIN LENGTH DETERMINANT PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SHIGELLA FLEXNERI; . AUTHOR S.KALYNYCH,D.YAO,J.D.MAGEE,M.CYGLER . 646 9 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32768.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 478 74.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 52 8.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 318 49.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.5 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 0 0 1 0 0 2 1 1 0 3 0 1 0 0 0 0 1 0 0 1 1 0 0 0 0 0 3 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 4 0 2 3 0 0 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 0 3 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 57 A T 0 0 100 0, 0.0 2,-0.4 0, 0.0 74,-0.3 0.000 360.0 360.0 360.0 127.0 34.8 -10.3 66.8 2 58 A S E -A 74 0A 0 72,-3.2 72,-2.3 80,-0.2 2,-0.4 -0.943 360.0-165.4-120.3 140.6 35.2 -7.2 64.6 3 59 A T E +A 73 0A 36 -2,-0.4 214,-0.6 70,-0.2 2,-0.3 -0.976 8.9 174.9-126.5 138.3 33.2 -4.0 64.7 4 60 A A E -A 72 0A 0 68,-2.5 68,-3.1 -2,-0.4 2,-0.5 -0.937 21.6-140.1-127.6 157.3 32.8 -1.1 62.2 5 61 A I E +AB 71 214A 4 209,-1.5 208,-2.7 -2,-0.3 209,-2.1 -0.980 24.6 179.8-117.2 120.9 30.6 2.0 62.4 6 62 A I E +AB 70 212A 1 64,-2.6 64,-1.6 -2,-0.5 206,-0.2 -0.957 4.1 178.1-125.9 141.0 29.0 3.2 59.1 7 63 A T E - B 0 211A 11 204,-2.2 204,-2.3 -2,-0.4 3,-0.1 -0.632 45.6 -51.3-124.8-176.1 26.7 6.1 58.3 8 64 A Q - 0 0 39 202,-0.2 202,-0.2 -2,-0.2 -1,-0.2 -0.225 68.9 -92.8 -59.4 150.3 25.0 7.6 55.3 9 65 A P - 0 0 0 0, 0.0 202,-0.2 0, 0.0 2,-0.2 -0.245 40.6-119.4 -66.8 146.7 27.3 8.4 52.3 10 66 A D > - 0 0 18 200,-0.2 3,-2.1 -3,-0.1 4,-0.5 -0.527 28.7-101.6 -88.6 162.7 28.7 11.9 52.0 11 67 A V G >> S+ 0 0 7 1,-0.3 3,-2.1 2,-0.2 4,-2.1 0.864 120.0 56.1 -48.3 -49.7 27.9 14.2 49.1 12 68 A G G 34 S+ 0 0 42 1,-0.3 -1,-0.3 2,-0.2 4,-0.1 0.309 105.8 55.7 -69.3 12.6 31.2 13.7 47.3 13 69 A Q G <4 S+ 0 0 64 -3,-2.1 -1,-0.3 195,-0.1 -2,-0.2 0.418 121.8 25.0-116.5 -13.0 30.4 10.0 47.3 14 70 A I T X> S+ 0 0 1 -3,-2.1 4,-2.7 -4,-0.5 3,-1.0 0.378 85.4 109.3-130.6 -0.6 27.1 10.4 45.6 15 71 A A H 3X S+ 0 0 32 -4,-2.1 4,-2.8 1,-0.3 5,-0.3 0.904 80.5 54.8 -45.3 -51.7 27.5 13.7 43.6 16 72 A G H 3> S+ 0 0 63 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.852 112.2 42.9 -50.4 -41.0 27.6 11.8 40.4 17 73 A Y H <> S+ 0 0 36 -3,-1.0 4,-2.3 2,-0.2 5,-0.3 0.938 112.3 52.0 -71.4 -47.1 24.3 10.1 41.2 18 74 A N H X S+ 0 0 4 -4,-2.7 4,-1.2 1,-0.3 -2,-0.2 0.864 108.6 51.0 -61.9 -36.3 22.6 13.2 42.5 19 75 A N H X S+ 0 0 40 -4,-2.8 4,-2.7 -5,-0.3 -1,-0.3 0.914 108.0 54.0 -67.4 -39.0 23.6 15.1 39.3 20 76 A A H X S+ 0 0 8 -4,-1.5 4,-1.8 -5,-0.3 -2,-0.2 0.892 107.6 48.4 -59.6 -43.3 22.1 12.3 37.3 21 77 A X H X S+ 0 0 19 -4,-2.3 4,-1.7 1,-0.2 5,-0.4 0.785 112.2 54.0 -68.4 -24.6 18.7 12.5 39.1 22 78 A N H X S+ 0 0 34 -4,-1.2 4,-2.1 -5,-0.3 -2,-0.2 0.945 105.2 48.0 -74.0 -51.4 19.0 16.2 38.5 23 79 A V H < S+ 0 0 32 -4,-2.7 -2,-0.2 1,-0.2 179,-0.2 0.964 119.3 42.3 -52.1 -52.3 19.5 16.2 34.7 24 80 A I H < S+ 0 0 25 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.820 132.6 17.2 -63.1 -39.0 16.6 13.8 34.4 25 81 A Y H >< S+ 0 0 101 -4,-1.7 3,-0.9 -5,-0.2 2,-0.3 0.760 78.5 179.0-115.7 -35.5 14.2 15.4 36.9 26 82 A G G >< S+ 0 0 36 -4,-2.1 3,-2.6 -5,-0.4 -1,-0.1 -0.452 72.0 14.8 75.0-128.9 15.2 19.0 37.6 27 83 A Q G 3 S+ 0 0 210 1,-0.3 -1,-0.3 -2,-0.3 -5,-0.1 0.536 136.1 46.6 -65.3 -4.0 13.1 21.1 40.0 28 84 A A G < S+ 0 0 76 -3,-0.9 -1,-0.3 -6,-0.2 -2,-0.2 0.234 81.1 117.1-120.6 10.8 11.5 17.8 41.1 29 85 A A S < S- 0 0 16 -3,-2.6 3,-0.1 -7,-0.1 -7,-0.1 -0.584 78.5 -94.7 -71.1 143.6 14.6 15.7 41.5 30 86 A P - 0 0 49 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 -0.297 43.6 -97.2 -64.0 141.8 14.9 14.6 45.2 31 87 A K - 0 0 85 1,-0.1 5,-0.1 3,-0.1 430,-0.1 -0.199 28.5-121.5 -55.1 144.9 17.1 16.7 47.6 32 88 A V S >> S+ 0 0 17 1,-0.2 3,-2.5 2,-0.2 4,-1.9 0.980 116.8 49.9 -54.6 -52.9 20.6 15.4 48.0 33 89 A S H 3> S+ 0 0 35 1,-0.3 4,-1.3 2,-0.2 -1,-0.2 0.859 106.1 56.1 -51.6 -36.5 19.9 15.1 51.8 34 90 A D H 34 S+ 0 0 85 1,-0.2 -1,-0.3 2,-0.2 -2,-0.2 0.303 110.0 48.3 -81.2 13.3 16.7 13.2 51.0 35 91 A L H <> S+ 0 0 9 -3,-2.5 4,-3.3 2,-0.2 5,-0.2 0.674 98.8 60.5-122.1 -46.7 18.8 10.7 49.0 36 92 A Q H X S+ 0 0 26 -4,-1.9 4,-2.2 2,-0.2 5,-0.2 0.881 108.5 50.7 -43.0 -46.1 21.6 10.0 51.5 37 93 A E H X S+ 0 0 104 -4,-1.3 4,-1.8 -5,-0.2 -1,-0.2 0.936 110.3 48.3 -62.4 -46.6 18.7 8.8 53.7 38 94 A T H > S+ 0 0 85 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.924 113.0 46.1 -63.7 -47.8 17.3 6.6 50.8 39 95 A L H X S+ 0 0 4 -4,-3.3 4,-1.8 2,-0.2 -1,-0.2 0.950 113.6 46.2 -60.1 -52.6 20.7 5.0 50.0 40 96 A I H X S+ 0 0 8 -4,-2.2 4,-2.3 1,-0.3 -1,-0.2 0.830 110.3 56.2 -66.9 -25.1 21.8 4.2 53.5 41 97 A G H X S+ 0 0 32 -4,-1.8 4,-2.3 -5,-0.2 -1,-0.3 0.931 106.7 49.7 -63.7 -46.0 18.2 2.8 54.1 42 98 A R H X S+ 0 0 94 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.809 109.7 53.2 -61.3 -31.7 18.8 0.6 51.1 43 99 A F H X S+ 0 0 2 -4,-1.8 4,-3.5 166,-0.2 5,-0.2 0.967 110.1 43.4 -70.2 -53.7 22.2 -0.5 52.7 44 100 A S H X S+ 0 0 39 -4,-2.3 4,-3.6 2,-0.2 5,-0.3 0.954 112.9 52.6 -59.8 -50.9 20.8 -1.5 56.1 45 101 A S H X S+ 0 0 89 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.926 116.2 40.9 -45.3 -51.8 17.8 -3.3 54.6 46 102 A A H X S+ 0 0 20 -4,-1.6 4,-1.3 -5,-0.2 -2,-0.2 0.900 114.1 51.0 -67.9 -43.1 20.2 -5.3 52.4 47 103 A F H X S+ 0 0 2 -4,-3.5 4,-1.4 2,-0.2 3,-0.3 0.906 109.3 52.4 -61.7 -40.6 22.8 -5.9 55.1 48 104 A S H >X S+ 0 0 61 -4,-3.6 4,-2.1 1,-0.2 3,-0.7 0.946 107.6 51.1 -59.8 -45.7 20.0 -7.1 57.3 49 105 A A H 3X S+ 0 0 48 -4,-2.1 4,-1.2 -5,-0.3 -1,-0.2 0.745 105.9 56.1 -62.2 -24.0 19.0 -9.6 54.6 50 106 A L H 3< S+ 0 0 25 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.770 107.8 50.5 -79.0 -23.9 22.6 -10.7 54.4 51 107 A A H X< S+ 0 0 20 -4,-1.4 3,-1.6 -3,-0.7 4,-0.4 0.895 106.1 50.7 -79.1 -40.8 22.4 -11.5 58.1 52 108 A E H >< S+ 0 0 105 -4,-2.1 3,-1.1 1,-0.3 -2,-0.2 0.862 106.1 57.2 -67.0 -32.8 19.2 -13.6 58.1 53 109 A T T 3< S+ 0 0 83 -4,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.506 101.0 60.4 -71.6 -1.3 20.7 -15.7 55.3 54 110 A L T < 0 0 81 -3,-1.6 -1,-0.2 3,-0.1 -2,-0.2 0.494 360.0 360.0-106.0 -3.4 23.6 -16.3 57.7 55 111 A D < 0 0 174 -3,-1.1 -3,-0.1 -4,-0.4 0, 0.0 -0.159 360.0 360.0-116.9 360.0 21.3 -17.9 60.3 56 ! 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 57 119 A L 0 0 42 0, 0.0 2,-0.4 0, 0.0 17,-0.2 0.000 360.0 360.0 360.0 137.7 26.6 -10.6 61.2 58 120 A T E +C 73 0A 74 15,-1.9 15,-0.9 2,-0.0 2,-0.5 -0.953 360.0 179.6-127.8 127.9 25.2 -7.6 63.2 59 121 A I E +C 72 0A 48 -2,-0.4 13,-0.2 13,-0.2 11,-0.0 -0.970 27.3 126.5-124.8 119.1 23.2 -4.5 62.3 60 122 A E E -C 71 0A 49 11,-1.6 11,-3.6 -2,-0.5 -2,-0.0 -0.969 53.0-115.5-162.9 160.3 22.0 -1.9 64.9 61 123 A P - 0 0 46 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.987 31.8-164.9 -67.8 -69.7 22.2 1.9 65.6 62 124 A S S S+ 0 0 54 2,-0.2 2,-0.1 1,-0.2 -2,-0.1 0.866 73.1 82.4 29.2 103.6 24.2 2.6 68.8 63 125 A V S > S- 0 0 9 5,-0.1 3,-1.4 434,-0.1 -1,-0.2 0.092 99.9-122.3 -71.5 145.3 23.7 5.4 69.8 64 126 A K T 3 S+ 0 0 68 1,-0.2 -2,-0.2 -3,-0.1 441,-0.1 0.658 91.4 19.1 -34.9 -62.8 20.5 4.1 71.4 65 127 A N T 3 S+ 0 0 99 439,-0.1 2,-0.4 -4,-0.1 -1,-0.2 -0.237 101.4 89.0-117.0 47.4 17.5 6.1 70.0 66 128 A Q < - 0 0 18 -3,-1.4 0, 0.0 1,-0.1 0, 0.0 -0.965 70.0-136.2-139.8 121.7 18.8 7.7 66.8 67 129 A Q S S+ 0 0 166 -2,-0.4 -1,-0.1 -6,-0.0 -7,-0.0 0.870 74.8 90.5 -41.9 -49.7 18.6 5.9 63.4 68 130 A L + 0 0 46 -3,-0.1 2,-0.2 2,-0.1 -5,-0.1 -0.795 63.9 32.4-112.8 154.2 22.2 6.9 62.5 69 131 A P S S- 0 0 3 0, 0.0 2,-0.4 0, 0.0 -62,-0.2 0.545 73.0-144.8 -75.3-165.4 25.0 6.0 62.7 70 132 A L E -A 6 0A 21 -64,-1.6 -64,-2.6 -2,-0.2 2,-0.5 -0.982 4.1-149.7-131.2 136.1 25.0 2.2 62.5 71 133 A T E -AC 5 60A 35 -11,-3.6 -11,-1.6 -2,-0.4 2,-0.3 -0.894 18.8-178.6-108.0 130.1 27.3 -0.3 64.2 72 134 A V E +AC 4 59A 4 -68,-3.1 -68,-2.5 -2,-0.5 2,-0.3 -0.911 0.8 179.6-125.5 155.6 28.1 -3.6 62.5 73 135 A S E -AC 3 58A 17 -15,-0.9 -15,-1.9 -2,-0.3 2,-0.4 -0.999 17.0-153.8-155.3 148.6 30.1 -6.6 63.5 74 136 A Y E -A 2 0A 51 -72,-2.3 -72,-3.2 -2,-0.3 2,-0.6 -0.936 15.2-142.0-118.9 151.9 31.3 -10.0 62.5 75 137 A V + 0 0 99 -2,-0.4 -2,-0.0 -74,-0.3 -72,-0.0 -0.909 40.1 156.6-112.1 103.0 32.3 -12.9 64.7 76 138 A G - 0 0 34 -2,-0.6 3,-0.1 2,-0.2 -1,-0.0 0.398 51.4-102.1-102.4-132.3 35.2 -14.6 63.2 77 139 A Q S S+ 0 0 97 1,-0.4 2,-0.3 2,-0.0 3,-0.1 0.200 94.4 24.3-151.7 7.7 38.2 -16.8 64.2 78 140 A T S > S- 0 0 86 1,-0.2 4,-3.6 2,-0.0 -1,-0.4 -0.948 73.8-115.7-162.0 161.9 41.1 -14.4 64.2 79 141 A A H > S+ 0 0 53 -2,-0.3 4,-1.9 2,-0.2 5,-0.2 0.976 128.9 35.3 -61.5 -57.6 41.7 -10.7 64.6 80 142 A E H > S+ 0 0 63 1,-0.2 4,-1.4 2,-0.2 5,-0.4 0.924 120.4 56.1 -56.1 -41.5 43.0 -10.6 61.1 81 143 A G H > S+ 0 0 29 1,-0.2 4,-1.0 2,-0.2 -2,-0.2 0.903 112.1 34.8 -58.7 -51.7 40.3 -13.3 60.4 82 144 A A H X S+ 0 0 1 -4,-3.6 4,-1.4 2,-0.2 -80,-0.2 0.759 112.8 61.6 -83.4 -24.5 37.2 -11.4 61.6 83 145 A Q H >X S+ 0 0 74 -4,-1.9 4,-2.4 -5,-0.3 3,-0.9 0.998 111.5 33.4 -59.9 -71.8 38.3 -8.0 60.4 84 146 A X H 3X S+ 0 0 106 -4,-1.4 4,-2.5 1,-0.3 5,-0.2 0.804 113.2 62.7 -59.8 -29.1 38.6 -8.6 56.7 85 147 A K H 3X S+ 0 0 80 -4,-1.0 4,-0.7 -5,-0.4 -1,-0.3 0.908 109.7 41.7 -61.8 -36.4 35.7 -11.0 56.9 86 148 A L H XX S+ 0 0 0 -4,-1.4 4,-1.7 -3,-0.9 3,-0.6 0.898 111.1 55.0 -74.4 -43.3 33.7 -8.0 58.0 87 149 A A H 3X S+ 0 0 34 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.917 110.5 47.3 -52.2 -46.0 35.3 -5.7 55.4 88 150 A Q H 3X S+ 0 0 91 -4,-2.5 4,-0.7 1,-0.2 -1,-0.2 0.621 108.9 52.0 -77.2 -18.6 34.3 -8.1 52.6 89 151 A Y H << S+ 0 0 45 -4,-0.7 4,-0.4 -3,-0.6 -1,-0.2 0.717 111.6 48.9 -87.5 -22.9 30.7 -8.6 53.7 90 152 A I H >X S+ 0 0 0 -4,-1.7 4,-1.9 2,-0.2 3,-1.9 0.967 111.0 47.0 -72.9 -57.6 30.2 -4.8 53.8 91 153 A Q H 3< S+ 0 0 103 -4,-2.3 -2,-0.2 1,-0.3 -3,-0.1 0.828 108.4 57.8 -53.1 -35.0 31.7 -4.1 50.4 92 154 A Q T 3X S+ 0 0 95 -4,-0.7 4,-1.3 1,-0.2 -1,-0.3 0.677 106.2 47.9 -75.7 -17.1 29.6 -7.0 49.0 93 155 A V H <> S+ 0 0 6 -3,-1.9 4,-2.1 -4,-0.4 5,-0.3 0.800 105.4 59.7 -83.6 -33.3 26.5 -5.2 50.3 94 156 A D H < S+ 0 0 20 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.364 108.4 47.4 -75.8 5.1 27.8 -2.0 48.7 95 157 A D H > S+ 0 0 90 -5,-0.2 4,-3.4 3,-0.1 5,-0.3 0.729 106.8 52.3-107.0 -47.9 27.7 -3.9 45.4 96 158 A K H X S+ 0 0 135 -4,-1.3 4,-1.5 1,-0.2 -2,-0.2 0.925 114.6 43.5 -53.2 -46.9 24.3 -5.4 45.6 97 159 A V H X S+ 0 0 2 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.881 112.5 54.0 -67.6 -41.1 22.7 -2.0 46.3 98 160 A N H >> S+ 0 0 57 -5,-0.3 4,-2.6 2,-0.2 3,-0.8 0.967 108.5 48.0 -50.6 -58.5 24.9 -0.5 43.5 99 161 A Q H 3X S+ 0 0 65 -4,-3.4 4,-1.8 1,-0.3 -2,-0.2 0.835 108.8 55.8 -54.8 -31.8 23.6 -3.1 41.1 100 162 A E H 3< S+ 0 0 23 -4,-1.5 -1,-0.3 -5,-0.3 -2,-0.2 0.837 109.3 46.7 -70.9 -30.9 20.1 -2.1 42.3 101 163 A L H XX S+ 0 0 12 -4,-1.6 3,-3.4 -3,-0.8 4,-3.2 0.951 106.7 54.4 -74.1 -53.6 20.8 1.5 41.4 102 164 A E H 3X S+ 0 0 43 -4,-2.6 4,-2.1 1,-0.3 -2,-0.2 0.923 109.3 51.3 -43.6 -46.5 22.2 0.9 38.0 103 165 A K H 3< S+ 0 0 155 -4,-1.8 4,-0.3 -5,-0.2 -1,-0.3 0.441 114.5 43.7 -76.6 4.3 19.0 -1.0 37.4 104 166 A D H <> S+ 0 0 58 -3,-3.4 4,-1.3 2,-0.1 -2,-0.2 0.726 107.6 54.7-111.3 -42.1 17.0 2.0 38.6 105 167 A L H >X S+ 0 0 31 -4,-3.2 4,-3.3 2,-0.2 3,-1.0 0.968 108.9 53.0 -46.6 -58.4 18.9 4.7 36.8 106 168 A K H 3X S+ 0 0 123 -4,-2.1 4,-2.5 -5,-0.3 5,-0.3 0.924 108.1 47.4 -45.1 -56.0 18.2 2.8 33.6 107 169 A D H 3> S+ 0 0 98 -4,-0.3 4,-0.9 1,-0.2 -1,-0.3 0.735 116.7 46.4 -66.3 -16.6 14.4 2.6 34.2 108 170 A N H X S+ 0 0 18 -4,-3.3 4,-3.3 2,-0.2 3,-0.7 0.989 113.5 49.5 -55.2 -60.4 16.6 7.4 32.1 110 172 A A H 3X S+ 0 0 38 -4,-2.5 4,-2.3 1,-0.3 -2,-0.2 0.823 112.7 45.2 -52.3 -41.3 14.4 5.4 29.7 111 173 A L H 3X S+ 0 0 104 -4,-0.9 4,-1.7 -5,-0.3 -1,-0.3 0.784 116.6 48.8 -74.5 -24.8 11.2 6.8 31.0 112 174 A G H X S+ 0 0 33 -4,-2.4 4,-2.8 -3,-0.3 3,-0.6 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102.9 54.9 -63.8 -29.7 39.3 3.1 73.4 487 111 B D T 3< S+ 0 0 113 -4,-1.7 2,-0.3 5,-0.2 -1,-0.3 0.488 98.7 70.8 -78.9 -3.5 37.7 -0.1 74.5 488 112 B N S < S+ 0 0 64 -3,-1.4 2,-0.3 -5,-0.2 -1,-0.2 -0.459 75.9 93.5-121.6 58.7 40.0 -2.0 72.2 489 113 B Q S S- 0 0 103 -3,-0.3 4,-0.1 -2,-0.3 -3,-0.0 -0.820 91.4 -93.0-127.1 175.6 43.5 -1.8 73.8 490 114 B E S S+ 0 0 117 1,-0.3 -1,-0.1 -2,-0.3 0, 0.0 0.949 129.4 26.8 -44.5 -50.3 45.7 -3.8 76.0 491 115 B E S S- 0 0 68 1,-0.1 -1,-0.3 -3,-0.1 -3,-0.1 -0.931 90.5-144.9-123.3 105.6 44.1 -1.5 78.6 492 116 B P - 0 0 78 0, 0.0 -5,-0.2 0, 0.0 -1,-0.1 0.473 3.5-155.6 -38.6-166.1 40.6 -0.1 77.8 493 117 B E - 0 0 21 -10,-0.1 20,-0.7 2,-0.1 -6,-0.1 0.364 23.3-129.3-157.6 -9.4 39.6 3.4 78.8 494 118 B K - 0 0 42 1,-0.2 19,-1.7 -11,-0.2 2,-0.4 0.972 29.1-179.9 55.0 83.1 35.8 3.6 79.1 495 119 B L E -J 512 0D 14 17,-0.2 2,-0.4 -12,-0.2 17,-0.2 -0.943 14.0-156.9-107.8 134.0 34.4 6.6 77.1 496 120 B T E +J 511 0D 47 15,-3.0 15,-1.5 -2,-0.4 2,-0.3 -0.896 23.0 168.1-125.1 144.3 30.7 7.0 77.2 497 121 B I E +J 510 0D 25 -2,-0.4 13,-0.2 13,-0.2 -434,-0.1 -0.941 19.7 135.3-149.0 127.3 27.9 8.7 75.1 498 122 B E E -J 509 0D 107 11,-1.7 11,-2.8 -2,-0.3 2,-0.1 -0.977 61.8 -72.4-164.4 155.3 24.1 8.2 75.5 499 123 B P E -J 508 0D 18 0, 0.0 9,-0.3 0, 0.0 7,-0.1 -0.359 40.4-139.8 -56.8 126.8 21.0 10.3 75.5 500 124 B S S S+ 0 0 32 7,-1.7 2,-0.4 5,-0.1 8,-0.1 0.972 91.7 37.1 -56.6 -58.1 20.9 12.1 78.9 501 125 B V S > S- 0 0 4 6,-0.3 3,-1.2 3,-0.2 -215,-0.1 -0.772 99.7-110.9 -94.7 139.4 17.2 11.5 79.3 502 126 B K T 3 S+ 0 0 145 -2,-0.4 3,-0.1 1,-0.2 -1,-0.1 -0.319 98.7 18.6 -65.2 150.7 15.7 8.2 78.1 503 127 B N T 3 S+ 0 0 30 1,-0.1 2,-0.5 -4,-0.1 -1,-0.2 0.523 101.4 105.8 65.0 5.7 13.4 8.3 75.0 504 128 B Q < - 0 0 11 -3,-1.2 -3,-0.2 1,-0.1 -1,-0.1 -0.968 52.5-165.7-115.0 121.9 14.8 11.7 74.0 505 129 B Q S S+ 0 0 80 -2,-0.5 -1,-0.1 1,-0.1 -5,-0.1 0.823 72.8 79.8 -59.6 -24.1 17.1 11.8 71.0 506 130 B L S S+ 0 0 47 -7,-0.1 -66,-0.4 -3,-0.1 2,-0.3 0.756 77.7 40.1 -83.4 -56.4 18.1 15.3 72.0 507 131 B P - 0 0 0 0, 0.0 -7,-1.7 0, 0.0 2,-0.4 -0.745 69.8-151.2 -90.6 148.6 20.6 16.1 74.8 508 132 B L E -HJ 438 499D 5 -70,-2.0 -70,-2.5 -2,-0.3 2,-0.5 -0.941 5.4-152.1-126.0 143.0 23.6 13.8 75.0 509 133 B T E -HJ 437 498D 26 -11,-2.8 -11,-1.7 -2,-0.4 2,-0.4 -0.948 10.6-172.3-120.2 125.8 25.8 12.8 77.9 510 134 B V E +HJ 436 497D 0 -74,-3.2 -74,-2.8 -2,-0.5 2,-0.3 -0.918 6.0 178.2-119.2 143.8 29.4 11.9 77.7 511 135 B S E -HJ 435 496D 17 -15,-1.5 -15,-3.0 -2,-0.4 2,-0.4 -0.999 13.3-160.6-147.1 139.7 31.6 10.5 80.4 512 136 B Y E -HJ 434 495D 27 -78,-1.4 -78,-3.3 -2,-0.3 2,-0.8 -0.963 15.3-139.7-122.0 142.6 35.1 9.3 80.8 513 137 B V E +H 433 0D 59 -19,-1.7 -80,-0.2 -20,-0.7 2,-0.1 -0.834 33.7 173.2-105.8 102.0 36.5 7.1 83.6 514 138 B G - 0 0 6 -82,-2.5 6,-0.2 -2,-0.8 4,-0.0 -0.338 41.9-118.1-106.5-179.5 39.9 8.1 84.9 515 139 B Q S S+ 0 0 186 4,-0.6 5,-0.1 -2,-0.1 -1,-0.1 0.962 97.3 27.3 -78.2 -64.8 42.6 7.5 87.5 516 140 B T S S- 0 0 92 3,-0.3 -2,-0.2 1,-0.1 5,-0.0 -0.258 83.1-116.5 -84.9-178.8 42.6 10.8 89.3 517 141 B A S >> S+ 0 0 72 2,-0.1 3,-1.9 1,-0.1 4,-1.2 0.946 116.0 39.5 -80.8 -67.2 39.8 13.3 89.6 518 142 B E H 3> S+ 0 0 53 1,-0.3 4,-0.7 2,-0.2 5,-0.1 0.632 113.9 62.6 -55.8 -11.9 41.3 16.3 87.7 519 143 B G H 34 S+ 0 0 26 2,-0.2 -4,-0.6 1,-0.2 -1,-0.3 -0.041 98.8 49.2-110.9 27.0 42.6 13.6 85.4 520 144 B A H <> S+ 0 0 1 -3,-1.9 4,-1.7 -6,-0.2 -86,-0.2 0.320 113.6 50.3-119.2 -21.4 39.3 12.3 84.2 521 145 B Q H X S+ 0 0 69 -4,-1.2 4,-0.8 2,-0.2 -2,-0.2 0.633 110.8 43.6 -94.2 -21.2 38.2 15.9 83.6 522 146 B X H X S+ 0 0 136 -4,-0.7 4,-1.0 2,-0.1 -3,-0.1 0.738 117.2 50.6 -89.4 -24.6 41.2 17.0 81.5 523 147 B K H > S+ 0 0 62 2,-0.2 4,-2.4 3,-0.1 3,-0.3 0.947 109.9 46.7 -72.9 -55.1 41.0 13.8 79.6 524 148 B L H X S+ 0 0 0 -4,-1.7 4,-1.4 1,-0.2 5,-0.2 0.950 113.0 50.6 -50.3 -51.8 37.3 13.9 78.8 525 149 B A H X S+ 0 0 34 -4,-0.8 4,-1.4 1,-0.2 -1,-0.2 0.784 110.6 48.6 -66.6 -26.5 37.6 17.5 77.7 526 150 B Q H X S+ 0 0 92 -4,-1.0 4,-1.5 -3,-0.3 -1,-0.2 0.899 107.0 54.5 -78.8 -38.3 40.5 16.8 75.4 527 151 B Y H X S+ 0 0 42 -4,-2.4 4,-1.0 1,-0.2 -2,-0.2 0.734 110.5 48.5 -66.0 -23.6 38.8 13.8 73.7 528 152 B I H X S+ 0 0 0 -4,-1.4 4,-2.8 -5,-0.2 -1,-0.2 0.840 111.9 47.0 -79.5 -40.6 35.9 16.1 72.9 529 153 B Q H < S+ 0 0 89 -4,-1.4 4,-0.4 2,-0.2 -2,-0.2 0.679 109.8 57.2 -71.5 -16.6 38.3 18.7 71.5 530 154 B Q H X S+ 0 0 90 -4,-1.5 4,-1.4 2,-0.2 -1,-0.2 0.836 112.6 38.1 -83.1 -34.4 39.9 15.8 69.6 531 155 B V H X S+ 0 0 3 -4,-1.0 4,-2.9 2,-0.2 5,-0.3 0.869 110.2 60.2 -80.5 -38.2 36.6 14.9 68.0 532 156 B D H X S+ 0 0 18 -4,-2.8 4,-0.5 1,-0.2 113,-0.2 0.707 110.2 45.1 -62.9 -17.2 35.6 18.5 67.6 533 157 B D H > S+ 0 0 92 -4,-0.4 4,-1.6 2,-0.2 -1,-0.2 0.838 110.5 51.4 -90.0 -39.5 38.8 18.8 65.5 534 158 B K H >X S+ 0 0 94 -4,-1.4 4,-2.5 1,-0.2 3,-0.5 0.966 111.2 48.4 -59.7 -51.8 38.3 15.7 63.5 535 159 B V H 3X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.3 -1,-0.2 0.854 107.7 54.9 -56.1 -39.1 34.7 16.7 62.6 536 160 B N H 3X S+ 0 0 22 -4,-0.5 4,-1.6 -5,-0.3 -1,-0.3 0.842 108.8 50.0 -68.6 -27.7 36.0 20.1 61.6 537 161 B Q H X S+ 0 0 11 -4,-2.1 4,-1.3 1,-0.2 3,-0.6 0.918 107.1 49.8 -75.0 -46.2 13.5 35.1 4.9 579 203 B A H 3X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.641 99.3 68.5 -70.3 -13.1 11.4 38.2 5.0 580 204 B L H 3X S+ 0 0 24 -4,-1.2 4,-3.2 2,-0.2 -1,-0.2 0.909 98.9 50.6 -72.3 -40.3 14.2 40.2 3.3 581 205 B Q H S+ 0 0 0 -4,-2.2 5,-2.1 2,-0.2 -2,-0.2 0.957 111.2 52.0 -65.6 -49.0 10.6 42.6 0.7 584 208 B N H ><5S+ 0 0 87 -4,-3.2 3,-2.0 1,-0.2 -2,-0.2 0.941 110.8 48.4 -46.3 -53.5 13.2 42.5 -2.2 585 209 B Q H 3<5S+ 0 0 69 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.838 114.8 44.1 -61.4 -34.5 10.7 40.8 -4.5 586 210 B A T 3<5S- 0 0 0 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.252 111.9-125.6 -90.8 11.1 8.0 43.3 -3.7 587 211 B Q T < 5 + 0 0 163 -3,-2.0 2,-0.5 1,-0.2 -3,-0.2 0.855 53.8 155.7 41.4 51.4 10.6 46.1 -3.9 588 212 B V < + 0 0 5 -5,-2.1 21,-2.1 1,-0.1 -1,-0.2 -0.925 10.5 159.2-102.6 125.5 9.9 47.5 -0.5 589 213 B T + 0 0 75 -2,-0.5 21,-1.4 19,-0.3 22,-0.4 0.627 59.9 47.4-116.1 -22.4 12.8 49.4 1.0 590 214 B K S S- 0 0 80 20,-0.1 18,-0.2 19,-0.1 -1,-0.2 -0.912 99.2 -75.3-127.2 151.0 11.2 51.6 3.6 591 215 B P - 0 0 46 0, 0.0 16,-0.2 0, 0.0 -1,-0.1 -0.053 32.4-165.3 -42.1 134.2 8.6 51.0 6.4 592 216 B Q + 0 0 68 14,-2.1 2,-0.5 -4,-0.1 -437,-0.2 0.356 63.4 81.7-101.6 -0.8 5.1 50.6 5.1 593 217 B V - 0 0 6 13,-0.4 -436,-0.2 1,-0.2 -437,-0.1 -0.925 46.2-176.7-121.6 129.4 3.5 51.0 8.5 594 218 B Q S S+ 0 0 116 -438,-1.2 2,-0.4 -2,-0.5 -1,-0.2 0.964 86.0 43.0 -73.0 -73.5 2.6 54.1 10.6 595 219 B Q B S-d 157 0B 116 -439,-0.7 -437,-0.8 1,-0.1 2,-0.4 -0.683 79.3-171.3 -84.3 130.5 1.2 52.4 13.7 596 220 B T + 0 0 26 -2,-0.4 2,-0.6 -439,-0.2 -207,-0.1 -0.771 16.4 158.7-137.7 78.7 3.6 49.6 14.5 597 221 B E - 0 0 64 -2,-0.4 -215,-0.1 1,-0.2 -2,-0.0 -0.785 58.4 -30.2-122.1 94.6 2.8 47.0 17.2 598 222 B D - 0 0 111 -2,-0.6 2,-0.4 -217,-0.2 -1,-0.2 0.518 62.4-129.4 79.3 137.1 4.5 43.5 17.2 599 223 B V - 0 0 11 -3,-0.1 2,-0.2 3,-0.0 -1,-0.1 -0.961 16.4-170.1-132.4 132.3 5.7 41.5 14.2 600 224 B T > - 0 0 69 -2,-0.4 4,-1.3 1,-0.0 -2,-0.0 -0.469 48.1 -89.8-103.6-177.5 5.3 37.9 12.8 601 225 B Q T 4 S+ 0 0 13 2,-0.2 4,-0.3 -2,-0.2 -1,-0.0 0.786 125.9 49.5 -63.3 -27.2 7.0 36.1 10.0 602 226 B D T >4 S+ 0 0 9 1,-0.2 3,-1.0 2,-0.1 4,-0.1 0.990 115.3 37.4 -74.2 -69.5 4.3 37.4 7.6 603 227 B T G >4 S+ 0 0 5 1,-0.2 3,-1.8 2,-0.1 4,-0.3 0.502 90.9 93.7 -56.7 -12.5 4.3 41.1 8.4 604 228 B L G >< S+ 0 0 0 -4,-1.3 3,-2.8 1,-0.3 4,-0.2 0.920 75.4 63.1 -51.5 -45.4 8.1 41.4 8.9 605 229 B F G X S+ 0 0 0 -3,-1.0 3,-1.8 -4,-0.3 -1,-0.3 0.674 83.8 78.6 -60.5 -13.3 8.8 42.4 5.3 606 230 B L G < S+ 0 0 1 -3,-1.8 -14,-2.1 1,-0.3 -13,-0.4 0.719 78.8 70.0 -66.7 -15.8 6.7 45.6 6.0 607 231 B L G <> S- 0 0 6 -3,-2.8 4,-0.6 -4,-0.3 -1,-0.3 0.633 109.2-128.9 -75.9 -9.8 9.8 47.0 7.8 608 232 B G H <> - 0 0 0 -3,-1.8 4,-2.3 -4,-0.2 3,-0.4 0.175 19.4 -80.1 76.6 159.9 11.3 47.1 4.3 609 233 B S H > S+ 0 0 7 -21,-2.1 4,-1.7 1,-0.3 5,-0.2 0.685 122.1 62.2 -79.9 -21.9 14.6 45.8 3.1 610 234 B E H > S+ 0 0 76 -21,-1.4 4,-1.4 2,-0.2 -1,-0.3 0.917 112.8 38.0 -68.5 -37.4 16.8 48.6 4.3 611 235 B A H < S+ 0 0 6 -4,-0.6 -2,-0.2 -22,-0.4 -3,-0.1 0.946 117.1 48.4 -74.9 -50.0 15.8 47.8 7.9 612 236 B L H X S+ 0 0 0 -4,-2.3 4,-1.1 1,-0.2 5,-0.2 0.908 111.3 53.2 -58.1 -38.4 15.7 44.0 7.6 613 237 B E H >X S+ 0 0 112 -4,-1.7 4,-2.0 1,-0.2 2,-1.1 0.920 105.3 51.4 -67.5 -47.8 19.1 44.1 5.9 614 238 B S H 3< S+ 0 0 11 -4,-1.4 -1,-0.2 1,-0.2 -241,-0.1 -0.834 105.3 57.5 -86.0 101.4 20.9 46.1 8.6 615 239 B X H 34 S+ 0 0 4 -2,-1.1 -1,-0.2 -246,-0.0 -2,-0.2 -0.215 105.6 47.4 156.4 -50.5 19.7 43.7 11.3 616 240 B I H X< S+ 0 0 36 -4,-1.1 3,-1.2 -3,-0.6 -2,-0.2 0.828 111.1 54.1 -75.4 -40.2 21.2 40.7 9.7 617 241 B K T 3< S+ 0 0 159 -4,-2.0 3,-0.2 1,-0.2 -3,-0.2 0.799 118.5 35.7 -54.7 -31.6 24.3 43.0 9.4 618 242 B H T > S+ 0 0 32 1,-0.2 3,-0.6 -5,-0.1 -1,-0.2 -0.075 80.7 111.2-121.9 35.3 24.0 43.5 13.1 619 243 B E G X + 0 0 68 -3,-1.2 3,-0.6 1,-0.2 -1,-0.2 0.625 67.9 69.9 -77.7 -18.0 22.8 40.1 14.3 620 244 B A G 3 S+ 0 0 72 -3,-0.2 -1,-0.2 1,-0.2 -2,-0.1 0.165 108.5 35.5 -86.6 19.5 26.1 39.5 16.0 621 245 B T G < S+ 0 0 72 -3,-0.6 -1,-0.2 2,-0.1 -2,-0.2 0.173 79.7 125.6-159.5 -4.7 25.2 42.2 18.6 622 246 B R < - 0 0 30 -3,-0.6 2,-0.2 -7,-0.1 -259,-0.1 -0.616 69.5-114.7 -66.9 127.9 21.5 41.6 18.9 623 247 B P - 0 0 11 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.508 21.7-118.5 -77.8 135.2 21.1 41.1 22.7 624 248 B L - 0 0 38 -2,-0.2 2,-0.5 1,-0.1 -58,-0.1 -0.415 23.1-137.9 -64.4 138.7 20.0 37.8 24.0 625 249 B V - 0 0 89 -60,-0.3 2,-0.3 -2,-0.1 -57,-0.1 -0.884 27.4-175.9 -98.5 131.7 16.8 37.9 26.0 626 250 B F - 0 0 37 -2,-0.5 -64,-0.0 -270,-0.0 5,-0.0 -0.892 29.2-100.8-125.8 159.9 16.7 35.8 29.2 627 251 B S >> - 0 0 65 -2,-0.3 3,-2.1 1,-0.1 4,-1.0 -0.362 36.1-116.6 -66.9 149.6 14.4 34.7 32.0 628 252 B P H >> S+ 0 0 56 0, 0.0 4,-2.0 0, 0.0 3,-0.5 0.874 118.3 65.9 -56.8 -33.1 14.6 36.7 35.3 629 253 B N H 3> S+ 0 0 69 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.739 92.6 61.6 -56.4 -25.8 15.7 33.3 36.7 630 254 B Y H <> S+ 0 0 16 -3,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.916 104.6 44.9 -69.8 -43.0 18.7 33.6 34.5 631 255 B Y H < S+ 0 0 42 -4,-2.8 3,-1.7 1,-0.2 -2,-0.2 0.912 100.4 63.1 -58.5 -46.6 27.9 34.3 45.4 640 264 B I H 3< S+ 0 0 8 -4,-1.9 -1,-0.2 1,-0.3 2,-0.2 0.876 88.9 69.8 -48.3 -43.0 29.1 30.7 45.6 641 265 B E T 3< 0 0 113 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.1 0.248 360.0 360.0 -66.9 18.9 32.7 31.8 44.9 642 266 B K < 0 0 130 -3,-1.7 -3,-0.0 -2,-0.2 0, 0.0 -0.762 360.0 360.0 -99.7 360.0 32.9 33.5 48.3 643 ! 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 0.0 644 274 B I 0 0 122 0, 0.0 -198,-0.5 0, 0.0 -195,-0.2 0.000 360.0 360.0 360.0 146.7 32.8 25.3 62.9 645 275 B H + 0 0 79 -113,-0.2 -173,-0.1 -200,-0.1 -174,-0.1 0.830 360.0 173.5 98.0 71.8 30.6 24.4 66.0 646 276 B A S S- 0 0 1 -114,-0.1 -171,-0.3 -206,-0.1 2,-0.3 0.710 71.1 -3.1 -69.9 -21.9 29.6 20.7 65.9 647 277 B Y - 0 0 29 -207,-0.2 2,-0.3 -172,-0.1 -207,-0.2 -0.895 60.8-128.5-157.4 172.1 28.0 21.1 69.4 648 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