==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 01-NOV-12 4HTT . COMPND 2 MOLECULE: SEC-INDEPENDENT PROTEIN TRANSLOCASE PROTEIN TATC, . SOURCE 2 ORGANISM_SCIENTIFIC: AQUIFEX AEOLICUS VF5, ENTEROBACTERIA P . AUTHOR S.RAMASAMY,C.J.M.SULOWAY,W.M.CLEMONS JR. . 450 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26846.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 379 84.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 . 16 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 14.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 272 60.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 3.6 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 2 0 4 1 1 0 0 0 2 2 0 2 0 4 0 0 0 0 2 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 5 A E > 0 0 164 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -28.6 154.9 159.9 51.9 2 6 A H H > + 0 0 106 1,-0.2 4,-0.5 2,-0.2 0, 0.0 0.800 360.0 49.0 -60.9 -26.9 158.2 159.0 50.3 3 7 A L H > S+ 0 0 104 2,-0.2 4,-0.9 1,-0.1 -1,-0.2 0.811 108.6 49.8 -82.1 -33.9 155.9 157.4 47.7 4 8 A R H > S+ 0 0 133 1,-0.2 4,-0.9 2,-0.2 3,-0.4 0.882 99.4 65.4 -73.7 -39.0 153.6 160.3 47.1 5 9 A E H >X S+ 0 0 81 -4,-2.3 4,-0.8 1,-0.3 3,-0.5 0.833 100.0 52.4 -51.9 -36.8 156.4 162.8 46.6 6 10 A L H >X S+ 0 0 75 -4,-0.5 4,-2.5 1,-0.2 3,-0.6 0.899 106.8 51.8 -67.7 -40.5 157.4 161.1 43.4 7 11 A R H 3< S+ 0 0 144 -4,-0.9 4,-0.3 -3,-0.4 -1,-0.2 0.592 113.4 46.0 -71.8 -10.5 153.9 161.2 42.1 8 12 A Y H << S+ 0 0 163 -4,-0.9 -1,-0.2 -3,-0.5 -2,-0.2 0.502 116.7 42.7-106.9 -9.9 153.9 165.0 42.8 9 13 A R H X S+ 0 0 90 -4,-2.5 4,-2.5 2,-0.2 3,-0.6 0.898 107.1 50.1 -73.0 -41.7 156.9 163.4 38.2 11 15 A I H 3> S+ 0 0 101 -4,-0.3 4,-2.1 -5,-0.3 5,-0.2 0.815 107.5 55.2 -65.8 -30.4 153.7 165.3 37.2 12 16 A I H 3> S+ 0 0 74 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.725 111.0 45.6 -74.3 -21.8 155.6 168.6 37.6 13 17 A S H X S+ 0 0 99 -4,-1.7 4,-0.8 1,-0.2 3,-0.8 0.901 112.7 50.8 -70.3 -42.6 157.0 175.9 22.4 24 28 A A H 3< S+ 0 0 13 -4,-1.0 3,-0.3 1,-0.2 7,-0.2 0.818 93.8 74.7 -64.9 -32.1 159.5 173.8 20.4 25 29 A F H >< S+ 0 0 116 -4,-1.7 3,-1.0 1,-0.3 4,-0.4 0.874 98.4 46.5 -48.0 -42.6 156.8 172.8 18.0 26 30 A Y H << S+ 0 0 190 -3,-0.8 3,-0.4 -4,-0.6 -1,-0.3 0.853 112.9 48.3 -70.5 -35.5 157.1 176.3 16.4 27 31 A F T 3X S+ 0 0 100 -4,-0.8 4,-2.5 -3,-0.3 -1,-0.3 0.077 86.0 98.7 -92.5 23.8 160.9 176.2 16.3 28 32 A A H <> S+ 0 0 2 -3,-1.0 4,-2.4 2,-0.2 -1,-0.2 0.940 79.8 48.3 -74.6 -50.3 160.7 172.7 14.8 29 33 A K H > S+ 0 0 158 -3,-0.4 4,-0.7 -4,-0.4 -1,-0.2 0.753 117.2 46.7 -62.0 -23.6 161.2 173.8 11.2 30 34 A Y H >> S+ 0 0 136 -4,-0.2 4,-1.4 2,-0.2 3,-0.7 0.927 111.8 45.9 -82.3 -52.7 164.1 175.9 12.5 31 35 A V H 3X S+ 0 0 23 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.802 108.4 62.2 -60.0 -28.2 165.8 173.3 14.6 32 36 A F H 3< S+ 0 0 57 -4,-2.4 4,-0.3 2,-0.2 -1,-0.2 0.860 98.1 53.3 -66.8 -38.0 165.3 170.9 11.7 33 37 A E H XX S+ 0 0 131 -3,-0.7 3,-2.2 -4,-0.7 4,-1.7 0.939 104.6 57.0 -61.8 -46.5 167.6 173.0 9.4 34 38 A I H 3< S+ 0 0 53 -4,-1.4 3,-0.3 1,-0.3 -1,-0.2 0.904 102.8 53.3 -48.8 -49.9 170.3 172.9 12.0 35 39 A L T 3< S+ 0 0 12 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.511 110.3 50.1 -67.6 -4.8 170.3 169.1 12.0 36 40 A K T X> S+ 0 0 66 -3,-2.2 4,-3.0 -4,-0.3 3,-2.0 0.768 88.1 77.8-102.3 -35.0 170.7 169.2 8.2 37 41 A E H 3X>S+ 0 0 136 -4,-1.7 4,-1.8 1,-0.3 5,-0.5 0.861 85.7 62.7 -42.7 -51.0 173.7 171.5 7.8 38 42 A P H 345S+ 0 0 28 0, 0.0 4,-0.4 0, 0.0 -1,-0.3 0.799 119.4 27.1 -48.3 -32.2 176.3 168.9 8.8 39 43 A I H <>5S+ 0 0 2 -3,-2.0 4,-1.7 3,-0.1 -2,-0.2 0.768 115.2 61.0-100.7 -34.6 175.2 166.9 5.7 40 44 A L H <5S+ 0 0 83 -4,-3.0 -3,-0.2 1,-0.2 -1,-0.1 0.631 118.6 29.5 -69.4 -13.8 174.0 169.6 3.4 41 45 A K T <5S+ 0 0 162 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.1 0.647 119.5 50.4-117.1 -26.0 177.5 171.3 3.4 42 46 A S T 4< + 0 0 44 -4,-1.7 3,-1.9 3,-0.1 -1,-0.2 -0.451 64.3 170.7-146.6 67.2 178.4 166.2 1.2 44 48 A P T 3 S+ 0 0 90 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.645 80.2 62.6 -53.6 -17.5 176.0 168.1 -1.1 45 49 A E T 3 S+ 0 0 124 2,-0.1 2,-0.1 91,-0.1 -5,-0.1 0.822 82.9 93.3 -77.8 -30.3 175.9 165.2 -3.5 46 50 A V S < S- 0 0 17 -3,-1.9 2,-0.6 -7,-0.2 -3,-0.1 -0.420 72.1-147.9 -61.7 131.3 174.3 163.1 -0.8 47 51 A E - 0 0 109 90,-2.3 2,-0.7 -2,-0.1 90,-0.1 -0.919 9.7-160.6-115.0 119.1 170.6 163.3 -1.2 48 52 A L + 0 0 35 -2,-0.6 2,-0.4 93,-0.1 93,-0.2 -0.841 21.6 169.0 -96.6 113.5 168.2 163.2 1.8 49 53 A I B -a 141 0A 77 91,-0.9 2,-1.7 -2,-0.7 93,-1.1 -0.961 43.4-112.4-129.0 145.2 164.7 162.3 0.8 50 54 A T - 0 0 56 -2,-0.4 5,-0.1 1,-0.2 91,-0.1 -0.567 27.8-171.7 -75.0 88.9 161.6 161.3 2.8 51 55 A L + 0 0 142 -2,-1.7 -1,-0.2 3,-0.1 90,-0.0 0.748 60.7 98.7 -52.9 -22.8 161.3 157.7 1.7 52 56 A S S S- 0 0 48 1,-0.1 -2,-0.0 3,-0.1 91,-0.0 -0.137 92.4-112.2 -62.1 161.7 158.0 157.8 3.5 53 57 A P S S- 0 0 117 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.870 96.0 -33.4 -64.9 -36.1 154.7 158.4 1.6 54 58 A T S S+ 0 0 105 0, 0.0 3,-0.2 0, 0.0 -3,-0.1 -0.052 90.5 138.2 177.0 59.1 154.4 161.8 3.2 55 59 A E > + 0 0 68 1,-0.2 4,-0.6 -5,-0.1 -3,-0.1 -0.459 15.4 131.4-114.4 59.2 155.7 161.8 6.7 56 60 A P H > S+ 0 0 80 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.709 75.9 57.5 -80.1 -18.0 157.6 165.1 7.1 57 61 A L H > S+ 0 0 89 -3,-0.2 4,-3.6 2,-0.2 5,-0.3 0.914 92.0 64.9 -75.7 -46.6 155.8 165.6 10.4 58 62 A F H > S+ 0 0 118 1,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.822 110.2 42.0 -45.4 -34.1 156.9 162.4 12.0 59 63 A I H X S+ 0 0 17 -4,-0.6 4,-1.7 2,-0.2 -1,-0.3 0.877 112.6 51.8 -80.8 -41.7 160.4 163.9 11.8 60 64 A L H X S+ 0 0 26 -4,-1.4 4,-2.0 2,-0.2 -2,-0.2 0.840 115.1 43.9 -63.8 -34.2 159.2 167.4 12.9 61 65 A I H X S+ 0 0 69 -4,-3.6 4,-1.0 2,-0.2 -2,-0.2 0.957 108.2 54.1 -75.9 -54.6 157.5 165.8 15.9 62 66 A K H X S+ 0 0 94 -4,-1.8 4,-1.8 -5,-0.3 3,-0.3 0.854 115.6 43.8 -47.8 -37.5 160.3 163.4 17.0 63 67 A I H X>S+ 0 0 1 -4,-1.7 4,-1.7 1,-0.2 5,-0.6 0.950 105.0 59.4 -72.9 -51.8 162.6 166.5 17.0 64 68 A S H <5S+ 0 0 8 -4,-2.0 -1,-0.2 -5,-0.2 -40,-0.2 0.603 112.3 45.4 -54.0 -10.6 160.1 168.8 18.8 65 69 A L H X5S+ 0 0 74 -4,-1.0 4,-1.2 -3,-0.3 5,-0.2 0.886 112.4 41.5 -96.8 -64.8 160.3 166.3 21.6 66 70 A A H >X5S+ 0 0 20 -4,-1.8 3,-1.8 1,-0.3 4,-0.6 0.949 121.2 42.9 -48.4 -60.5 163.9 165.4 22.2 67 71 A V H >X5S+ 0 0 32 -4,-1.7 4,-1.5 1,-0.3 3,-1.1 0.817 107.9 62.9 -57.4 -30.2 165.1 169.0 21.8 68 72 A G H 3>X S+ 0 0 5 -4,-1.0 4,-2.0 -5,-0.2 3,-1.7 0.573 84.3 91.1 -95.6 -13.0 162.9 171.7 29.6 73 77 A S H 3> S+ 0 0 2 -4,-0.5 4,-3.1 1,-0.3 5,-0.4 0.823 74.1 69.3 -52.1 -35.1 165.9 170.1 31.3 74 78 A P H 3> S+ 0 0 55 0, 0.0 4,-0.6 0, 0.0 -1,-0.3 0.848 109.3 34.9 -53.9 -34.6 166.3 173.2 33.6 75 79 A V H <> S+ 0 0 58 -3,-1.7 4,-2.8 2,-0.2 5,-0.2 0.859 115.8 55.1 -86.0 -41.0 163.1 172.2 35.3 76 80 A I H X S+ 0 0 38 -4,-2.0 4,-2.6 1,-0.2 -3,-0.2 0.938 109.6 46.0 -57.7 -51.5 163.6 168.4 35.1 77 81 A L H X S+ 0 0 17 -4,-3.1 4,-2.6 1,-0.2 5,-0.2 0.873 111.8 54.7 -60.0 -37.3 166.9 168.6 36.8 78 82 A Y H X S+ 0 0 80 -4,-0.6 4,-2.5 -5,-0.4 -2,-0.2 0.956 110.4 43.0 -61.5 -52.9 165.4 170.9 39.4 79 83 A Q H < S+ 0 0 13 -4,-2.8 -2,-0.2 2,-0.2 -1,-0.2 0.896 113.8 53.7 -60.5 -41.6 162.6 168.5 40.3 80 84 A F H >< S+ 0 0 87 -4,-2.6 3,-1.9 -5,-0.2 4,-0.3 0.978 112.2 41.9 -55.7 -61.8 165.0 165.6 40.3 81 85 A W H >X S+ 0 0 4 -4,-2.6 4,-2.5 1,-0.3 3,-2.3 0.906 109.7 56.7 -52.6 -50.2 167.5 167.1 42.7 82 86 A R T 3< S+ 0 0 105 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.419 104.6 57.7 -66.6 5.2 164.8 168.5 45.0 83 87 A F T <4 S+ 0 0 33 -3,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.443 117.9 25.6-112.1 -5.9 163.6 164.9 45.3 84 88 A I T <>>S+ 0 0 27 -3,-2.3 4,-3.4 1,-0.3 5,-2.3 0.658 105.2 76.3-126.9 -36.4 166.8 163.4 46.6 85 89 A E T <5S- 0 0 5 -4,-2.5 -1,-0.3 2,-0.3 6,-0.1 -0.996 116.2 -8.1-143.6 137.0 168.8 166.1 48.4 86 90 A P T 45S+ 0 0 41 0, 0.0 -1,-0.2 0, 0.0 -4,-0.1 -0.974 128.8 77.3 -65.3 -16.9 168.6 167.3 51.0 87 91 A A T 45S- 0 0 52 1,-0.2 -2,-0.3 -6,-0.2 -3,-0.1 0.649 126.8 -17.2 -15.9 -58.4 165.4 165.3 50.7 88 92 A L T <5S+ 0 0 84 -4,-3.4 -3,-0.2 0, 0.0 -1,-0.2 0.585 139.2 24.8-132.6 -23.7 167.2 162.0 51.5 89 93 A Y S S+ 0 0 129 2,-0.1 4,-0.8 1,-0.1 -1,-0.1 0.335 84.1 73.5-119.6 4.3 171.1 173.9 50.8 94 98 A R T 4 S+ 0 0 214 1,-0.2 -1,-0.1 2,-0.2 -2,-0.1 0.563 98.0 52.3 -89.0 -12.8 173.9 176.2 49.7 95 99 A A T 4 S+ 0 0 33 2,-0.1 4,-0.3 1,-0.1 -1,-0.2 0.420 98.8 68.9 -98.4 -4.1 175.3 173.2 47.8 96 100 A F T >> S+ 0 0 7 2,-0.2 4,-1.8 3,-0.1 3,-0.8 0.942 95.7 48.3 -78.6 -54.0 171.9 172.7 46.2 97 101 A I H 3X S+ 0 0 87 -4,-0.8 4,-2.4 1,-0.3 3,-0.3 0.927 110.1 51.5 -54.2 -50.1 171.9 175.8 43.9 98 102 A P H 3> S+ 0 0 68 0, 0.0 4,-1.8 0, 0.0 -1,-0.3 0.764 107.2 56.9 -60.6 -21.5 175.4 175.1 42.6 99 103 A L H <> S+ 0 0 18 -3,-0.8 4,-2.6 -4,-0.3 -2,-0.2 0.910 108.4 45.3 -73.4 -43.8 174.1 171.6 41.8 100 104 A L H X S+ 0 0 33 -4,-1.8 4,-2.7 -3,-0.3 5,-0.2 0.979 115.7 44.7 -62.6 -59.7 171.3 173.0 39.7 101 105 A L H X S+ 0 0 96 -4,-2.4 4,-2.8 2,-0.2 5,-0.3 0.943 116.9 45.8 -50.2 -56.6 173.4 175.5 37.8 102 106 A G H X S+ 0 0 20 -4,-1.8 4,-2.9 1,-0.2 5,-0.2 0.950 114.9 45.9 -53.0 -55.4 176.2 173.0 37.2 103 107 A S H X S+ 0 0 2 -4,-2.6 4,-0.7 1,-0.2 -1,-0.2 0.825 112.8 54.3 -58.0 -32.1 173.9 170.2 36.1 104 108 A I H >X S+ 0 0 43 -4,-2.7 4,-1.6 -5,-0.2 3,-0.8 0.962 113.2 38.1 -67.0 -53.7 172.1 172.8 33.9 105 109 A L H 3X S+ 0 0 103 -4,-2.8 4,-2.7 1,-0.3 -2,-0.2 0.835 111.3 61.2 -67.1 -32.4 175.2 173.9 32.0 106 110 A L H 3X S+ 0 0 33 -4,-2.9 4,-2.3 -5,-0.3 -1,-0.3 0.729 102.7 52.8 -66.0 -21.5 176.5 170.3 32.0 107 111 A F H S+ 0 0 44 -4,-3.2 4,-2.6 2,-0.2 5,-1.0 0.935 108.3 40.6 -47.0 -60.6 179.4 167.9 22.7 114 118 A A H <>S+ 0 0 0 -4,-0.9 5,-2.2 3,-0.2 3,-0.2 0.962 116.9 46.8 -55.7 -59.5 177.5 165.3 20.7 115 119 A Y H <5S+ 0 0 32 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.784 125.4 31.7 -56.2 -31.2 176.0 167.6 18.1 116 120 A F H <5S+ 0 0 131 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.598 137.5 15.9-104.4 -14.3 179.4 169.3 17.5 117 121 A I T X5S+ 0 0 79 -4,-2.6 4,-1.8 -5,-0.3 -3,-0.2 0.696 125.9 39.0-121.8 -58.9 181.8 166.4 18.2 118 122 A V H > S+ 0 0 54 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.923 114.6 46.0 -59.8 -44.4 180.2 165.0 12.9 121 125 A L H X S+ 0 0 76 -4,-1.8 4,-0.8 1,-0.2 -2,-0.2 0.749 109.7 59.1 -68.9 -23.4 182.9 162.4 13.7 122 126 A A H >X S+ 0 0 3 -4,-2.0 3,-1.3 2,-0.2 4,-1.0 0.968 103.0 47.6 -69.1 -55.6 180.3 159.7 13.3 123 127 A L H >X>S+ 0 0 5 -4,-2.2 4,-2.9 1,-0.3 5,-1.4 0.867 104.5 62.9 -53.6 -39.4 179.3 160.5 9.7 124 128 A K H 3<5S+ 0 0 107 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.838 109.8 39.6 -56.2 -34.5 183.0 160.7 8.8 125 129 A F H <<5S+ 0 0 82 -3,-1.3 -1,-0.3 -4,-0.8 -2,-0.2 0.562 115.5 55.0 -90.6 -10.8 183.2 157.0 9.7 126 130 A L H <<5S- 0 0 78 -4,-1.0 -2,-0.2 -3,-0.8 -3,-0.2 0.915 138.6 -13.4 -87.1 -50.7 179.8 156.2 8.2 127 131 A L T <5S+ 0 0 29 -4,-2.9 5,-0.2 -5,-0.1 -3,-0.2 0.395 121.7 78.9-131.3 -5.3 180.4 157.5 4.6 128 132 A G < + 0 0 18 -5,-1.4 2,-1.1 -6,-0.2 -4,-0.1 0.179 64.1 111.7 -92.1 18.3 183.6 159.6 4.9 129 133 A L S S- 0 0 104 3,-0.1 3,-0.2 -4,-0.1 -1,-0.1 -0.741 87.7 -49.7 -96.4 91.5 185.7 156.5 4.8 130 134 A G S S- 0 0 51 -2,-1.1 2,-1.9 1,-0.2 -1,-0.0 -0.115 96.9 -38.8 77.5-177.7 187.6 156.5 1.5 131 135 A F S > S+ 0 0 183 1,-0.2 3,-0.6 2,-0.1 2,-0.3 -0.205 86.2 132.2 -78.6 47.2 186.4 157.1 -2.0 132 136 A T T 3 + 0 0 60 -2,-1.9 -1,-0.2 1,-0.2 3,-0.1 -0.232 30.4 115.2 -91.6 42.5 183.3 155.0 -1.2 133 137 A Q T > + 0 0 118 -2,-0.3 3,-1.1 1,-0.2 -1,-0.2 0.676 60.1 68.8 -84.7 -21.1 181.2 157.8 -2.8 134 138 A L T < S+ 0 0 147 -3,-0.6 -1,-0.2 1,-0.2 3,-0.1 0.804 97.4 51.8 -68.8 -30.4 180.0 155.6 -5.6 135 139 A L T 3 S+ 0 0 132 1,-0.2 -1,-0.2 -3,-0.1 2,-0.2 0.330 112.4 49.6 -89.0 7.5 177.9 153.5 -3.2 136 140 A A < + 0 0 29 -3,-1.1 -1,-0.2 -9,-0.1 -91,-0.1 -0.715 65.8 95.2-155.6 101.6 176.2 156.5 -1.7 137 141 A T S > S+ 0 0 52 -2,-0.2 -90,-2.3 -3,-0.1 3,-0.9 0.170 100.0 16.1-145.2 -85.5 174.5 159.4 -3.5 138 142 A P T 3 S+ 0 0 79 0, 0.0 -92,-0.1 0, 0.0 -2,-0.0 0.028 113.9 85.9 -87.9 41.3 170.8 159.3 -4.0 139 143 A Y T 3 + 0 0 138 -2,-0.1 -93,-0.1 2,-0.0 -3,-0.1 0.711 55.2 110.6-103.6 -30.3 171.0 156.5 -1.4 140 144 A L < - 0 0 31 -3,-0.9 -91,-0.9 1,-0.1 2,-0.5 -0.197 54.7-149.5 -54.7 135.4 170.8 158.5 1.9 141 145 A S B > -a 49 0A 27 -93,-0.2 4,-2.0 1,-0.1 5,-0.2 -0.942 7.1-148.4-111.6 117.8 167.6 158.0 3.9 142 146 A V H > S+ 0 0 13 -93,-1.1 4,-3.4 -2,-0.5 5,-0.4 0.895 95.9 53.8 -48.7 -49.0 166.5 161.0 6.0 143 147 A D H >>S+ 0 0 65 -94,-0.3 4,-3.6 2,-0.2 5,-0.6 0.973 107.2 46.7 -50.3 -72.5 164.9 158.7 8.7 144 148 A M H >5S+ 0 0 130 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.857 122.7 38.8 -36.9 -51.0 168.0 156.5 9.4 145 149 A Y H X5S+ 0 0 10 -4,-2.0 4,-3.0 2,-0.2 3,-0.3 0.996 120.4 40.7 -66.3 -68.0 170.1 159.7 9.6 146 150 A I H X5S+ 0 0 5 -4,-3.4 4,-2.2 1,-0.3 5,-0.3 0.909 115.9 51.4 -47.9 -51.9 167.7 162.1 11.4 147 151 A S H X5S+ 0 0 19 -4,-3.6 4,-1.8 -5,-0.4 -1,-0.3 0.902 113.1 47.7 -53.6 -42.5 166.5 159.4 13.8 148 152 A F H XX S+ 0 0 78 -4,-2.5 3,-3.2 2,-0.2 4,-0.6 0.924 109.9 62.5 -78.0 -48.8 171.7 162.7 29.5 159 163 A A H >< S+ 0 0 24 -4,-3.0 3,-1.2 -5,-0.3 -2,-0.2 0.871 93.1 66.4 -43.6 -45.3 174.7 160.4 29.8 160 164 A F T 3< S+ 0 0 13 -4,-2.2 4,-0.5 1,-0.3 -1,-0.3 0.736 91.1 67.1 -50.1 -25.4 176.8 163.4 30.8 161 165 A E T <> S+ 0 0 17 -3,-3.2 4,-2.4 1,-0.2 5,-0.4 0.895 75.1 80.7 -66.1 -43.4 174.7 163.5 33.9 162 166 A M H > S+ 0 0 20 0, 0.0 4,-4.0 0, 0.0 3,-0.6 0.949 113.2 31.7 -45.8 -75.4 179.0 162.1 36.7 164 168 A I H 3> S+ 0 0 37 -4,-0.5 4,-2.3 1,-0.3 5,-0.3 0.904 121.3 52.4 -50.9 -47.5 177.3 164.8 38.9 165 169 A V H 3X S+ 0 0 36 -4,-2.4 4,-0.7 1,-0.2 -1,-0.3 0.850 118.2 37.7 -58.8 -35.3 174.5 162.4 39.7 166 170 A L H X S+ 0 0 71 -4,-4.0 4,-2.3 -5,-0.3 3,-1.0 0.963 105.8 44.9 -53.3 -56.0 179.4 162.4 42.4 168 172 A V H 3X S+ 0 0 7 -4,-2.3 4,-2.0 1,-0.3 -1,-0.2 0.841 107.0 61.4 -57.6 -35.1 176.8 163.3 44.9 169 173 A L H 3X>S+ 0 0 34 -4,-0.7 5,-1.8 -5,-0.3 6,-1.3 0.839 109.3 41.7 -61.2 -33.8 176.2 159.6 45.5 170 174 A Q H X<5S+ 0 0 16 -4,-1.6 3,-0.8 -3,-1.0 -2,-0.2 0.918 109.9 54.0 -80.2 -47.5 179.8 159.2 46.6 171 175 A K H 3<5S+ 0 0 119 -4,-2.3 -2,-0.2 1,-0.3 -3,-0.2 0.852 108.7 52.2 -55.8 -34.4 180.1 162.3 48.7 172 176 A A H 3<5S- 0 0 52 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.785 118.5-117.0 -71.7 -27.7 177.0 161.1 50.6 173 177 A G T <<5S+ 0 0 56 -3,-0.8 -3,-0.2 -4,-0.5 3,-0.2 0.486 82.2 119.4 103.2 6.0 178.7 157.8 51.1 174 178 A V S - 0 0 58 -2,-0.4 4,-0.8 -3,-0.2 -5,-0.1 -0.528 26.2-115.5 -87.3 154.6 182.7 154.5 47.3 177 181 A P H >> S+ 0 0 20 0, 0.0 4,-1.5 0, 0.0 3,-0.5 0.855 117.2 52.8 -55.1 -36.8 185.3 155.3 44.6 178 182 A E H 3> S+ 0 0 134 1,-0.2 4,-1.6 2,-0.2 5,-0.3 0.927 97.2 63.1 -65.7 -47.1 186.6 151.8 44.8 179 183 A Q H 34 S+ 0 0 105 1,-0.3 -1,-0.2 2,-0.2 4,-0.1 0.758 108.1 46.1 -49.8 -25.4 183.2 150.2 44.3 180 184 A L H XX S+ 0 0 12 -4,-0.8 3,-1.7 -3,-0.5 4,-0.9 0.870 102.7 60.0 -85.1 -41.9 183.3 151.9 40.9 181 185 A A H 3< S+ 0 0 47 -4,-1.5 4,-0.3 1,-0.3 -2,-0.2 0.742 108.7 48.0 -57.6 -22.3 186.9 150.8 40.1 182 186 A S T 3< S+ 0 0 70 -4,-1.6 -1,-0.3 1,-0.2 4,-0.3 0.578 108.7 53.1 -92.8 -13.4 185.5 147.3 40.4 183 187 A F T <> S+ 0 0 82 -3,-1.7 4,-2.9 -5,-0.3 5,-0.3 0.437 81.4 98.3 -98.1 -3.9 182.5 148.1 38.2 184 188 A R H X S+ 0 0 96 -4,-0.9 4,-1.9 1,-0.2 -1,-0.1 0.940 84.1 44.9 -46.1 -61.9 184.8 149.4 35.5 185 189 A K H > S+ 0 0 40 -4,-0.3 4,-0.7 1,-0.2 -1,-0.2 0.874 114.8 48.8 -52.9 -44.3 184.7 146.1 33.5 186 190 A Y H >> S+ 0 0 118 -4,-0.3 4,-1.0 1,-0.2 3,-0.7 0.874 108.6 52.6 -67.0 -38.4 180.9 145.8 33.9 187 191 A F H 3X S+ 0 0 21 -4,-2.9 4,-2.4 1,-0.2 5,-0.3 0.843 93.8 73.3 -66.2 -33.2 180.3 149.4 32.8 188 192 A I H 3X S+ 0 0 28 -4,-1.9 4,-1.3 1,-0.3 -1,-0.2 0.868 99.0 46.2 -47.7 -41.4 182.3 148.8 29.7 189 193 A V H X S+ 0 0 57 -4,-2.0 4,-1.5 -3,-0.3 3,-0.9 0.925 115.2 39.2 -82.8 -53.3 175.2 148.4 25.0 194 198 A I H 3X S+ 0 0 70 -4,-2.5 4,-1.0 1,-0.3 5,-0.3 0.870 113.4 58.5 -62.8 -36.7 173.9 152.0 24.7 195 199 A G H 3X S+ 0 0 0 -4,-1.2 4,-0.9 -5,-0.3 -1,-0.3 0.711 109.0 44.3 -66.5 -20.1 176.4 152.5 22.0 196 200 A A H <4 S+ 0 0 10 -3,-0.9 -1,-0.2 -4,-0.3 -2,-0.2 0.686 103.7 64.3 -95.1 -23.3 174.9 149.7 20.0 197 201 A I H < S+ 0 0 109 -4,-1.5 -2,-0.2 1,-0.1 -3,-0.1 0.719 120.5 20.1 -72.8 -22.1 171.3 150.8 20.6 198 202 A I H < S+ 0 0 20 -4,-1.0 -2,-0.2 -47,-0.0 -1,-0.1 0.656 110.7 77.1-119.1 -27.2 171.8 154.0 18.7 199 203 A A < - 0 0 8 -4,-0.9 3,-0.0 -5,-0.3 4,-0.0 -0.657 63.1-150.1 -89.3 144.1 174.8 153.5 16.5 200 204 A P S S+ 0 0 87 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.976 74.0 22.4 -74.8 -60.2 174.5 151.4 13.3 201 205 A D S >> S- 0 0 68 1,-0.1 4,-2.6 209,-0.1 3,-0.5 -0.598 84.8-101.9-108.4 169.3 178.0 149.8 12.9 202 206 A V H 3> S+ 0 0 43 1,-0.2 4,-3.1 2,-0.2 5,-0.5 0.948 114.6 62.3 -51.4 -59.5 180.9 149.1 15.2 203 207 A S H 3> S+ 0 0 44 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.812 114.3 35.5 -36.3 -45.8 183.0 152.0 14.2 204 208 A T H <> S+ 0 0 4 -3,-0.5 4,-1.3 2,-0.2 5,-0.4 0.949 114.5 54.9 -77.1 -52.7 180.3 154.4 15.5 205 209 A Q H X S+ 0 0 5 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.916 115.3 40.6 -44.3 -54.7 179.2 152.3 18.4 206 210 A V H X S+ 0 0 48 -4,-3.1 4,-2.0 2,-0.2 -1,-0.2 0.934 111.4 59.6 -61.3 -49.9 182.7 152.2 19.8 207 211 A L H < S+ 0 0 38 -4,-1.5 3,-0.4 -5,-0.5 -2,-0.2 0.930 110.3 35.1 -41.8 -85.1 183.4 155.8 18.9 208 212 A M H X S+ 0 0 6 -4,-1.3 4,-1.0 1,-0.2 -1,-0.2 0.818 113.1 63.1 -40.7 -46.1 180.7 157.6 21.0 209 213 A A H >X S+ 0 0 0 -4,-1.5 4,-1.6 -5,-0.4 3,-1.5 0.942 92.5 60.0 -47.6 -64.0 181.0 155.0 23.8 210 214 A I H 3X S+ 0 0 79 -4,-2.0 4,-3.3 -3,-0.4 -1,-0.2 0.831 100.2 57.7 -33.8 -53.8 184.6 155.8 24.7 211 215 A P H 3> S+ 0 0 33 0, 0.0 4,-2.5 0, 0.0 -1,-0.3 0.884 107.3 46.7 -49.0 -46.1 183.7 159.4 25.6 212 216 A L H X S+ 0 0 100 -4,-3.3 4,-1.1 1,-0.3 3,-1.0 0.917 109.6 47.9 -50.1 -52.6 186.2 158.4 29.8 215 219 A L H >X S+ 0 0 49 -4,-2.5 4,-1.7 1,-0.3 3,-0.7 0.879 106.2 58.7 -58.1 -38.4 184.0 161.0 31.6 216 220 A Y H 3X S+ 0 0 18 -4,-2.5 4,-1.5 1,-0.3 -1,-0.3 0.792 101.4 56.3 -61.8 -27.0 183.0 158.3 34.0 217 221 A E H < S+ 0 0 38 -4,-1.5 3,-1.6 1,-0.2 -1,-0.2 0.870 110.7 57.9 -60.2 -36.6 186.0 158.5 40.1 221 225 A F H 3< S+ 0 0 130 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.906 98.3 59.2 -59.2 -42.2 189.0 160.7 39.8 222 226 A L T 3< S+ 0 0 79 -4,-2.6 2,-4.0 -3,-0.2 -1,-0.3 0.632 74.4 113.5 -61.5 -12.5 187.1 163.4 41.6 223 227 A G < + 0 0 26 -3,-1.6 2,-0.8 -4,-0.4 -1,-0.2 -0.257 38.5 150.6 -62.1 65.8 186.9 160.9 44.4 224 228 A K 0 0 150 -2,-4.0 -1,-0.1 1,-0.0 -2,-0.0 -0.859 360.0 360.0-105.6 98.7 189.1 163.1 46.6 225 229 A L 0 0 176 -2,-0.8 -1,-0.0 0, 0.0 -54,-0.0 0.217 360.0 360.0-119.5 360.0 188.1 162.4 50.2 226 !* 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 0.0 227 5 B E > 0 0 167 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -27.4 164.6 108.9 16.3 228 6 B H H > + 0 0 108 1,-0.2 4,-0.5 2,-0.2 0, 0.0 0.804 360.0 49.7 -61.8 -27.4 166.2 112.3 16.1 229 7 B L H > S+ 0 0 103 2,-0.2 4,-0.9 1,-0.1 -1,-0.2 0.808 108.5 49.7 -81.0 -33.3 166.0 112.3 19.9 230 8 B R H > S+ 0 0 134 1,-0.2 4,-0.9 2,-0.2 3,-0.4 0.888 99.1 65.7 -74.3 -39.9 167.6 108.8 20.4 231 9 B E H X S+ 0 0 80 -4,-2.3 4,-0.7 1,-0.3 3,-0.4 0.827 100.2 52.3 -50.8 -36.4 170.6 109.6 18.1 232 10 B L H >X S+ 0 0 75 -4,-0.5 4,-2.5 1,-0.2 3,-0.7 0.906 106.9 51.4 -68.2 -41.7 171.8 112.2 20.6 233 11 B R H 3< S+ 0 0 143 -4,-0.9 4,-0.4 -3,-0.4 -1,-0.2 0.601 113.7 46.2 -70.9 -11.2 171.6 109.7 23.5 234 12 B Y H 3< S+ 0 0 167 -4,-0.9 -1,-0.2 -3,-0.4 -2,-0.2 0.500 116.7 42.6-106.1 -9.7 173.7 107.3 21.4 235 13 B R H X S+ 0 0 91 -4,-2.5 4,-2.5 2,-0.2 3,-0.6 0.898 106.9 50.1 -73.9 -41.9 176.6 111.6 23.7 237 15 B I H 3> S+ 0 0 97 -4,-0.4 4,-2.0 -5,-0.3 -1,-0.2 0.801 107.5 55.6 -66.0 -28.8 177.5 108.4 25.4 238 16 B I H 3> S+ 0 0 74 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.724 111.0 45.0 -75.5 -22.0 180.1 107.8 22.7 239 17 B S H X S+ 0 0 100 -4,-1.6 4,-0.8 1,-0.2 3,-0.7 0.894 112.8 50.6 -71.5 -41.6 195.5 108.2 30.0 250 28 B A H 3< S+ 0 0 12 -4,-1.0 3,-0.3 1,-0.2 7,-0.2 0.813 93.8 74.9 -66.2 -31.5 196.1 111.9 30.9 251 29 B F H >< S+ 0 0 117 -4,-1.8 3,-1.0 1,-0.3 4,-0.4 0.876 98.4 46.2 -48.3 -42.6 196.0 111.0 34.6 252 30 B Y H << S+ 0 0 192 -3,-0.7 3,-0.4 -4,-0.6 -1,-0.3 0.845 112.7 48.9 -70.9 -34.6 199.5 109.6 34.2 253 31 B F T 3X S+ 0 0 100 -4,-0.8 4,-2.4 -3,-0.3 -1,-0.3 0.072 85.6 98.7 -92.8 24.0 200.8 112.5 32.2 254 32 B A H <> S+ 0 0 2 -3,-1.0 4,-2.2 2,-0.2 -1,-0.2 0.939 79.9 48.2 -74.9 -50.1 199.4 114.9 34.8 255 33 B K H > S+ 0 0 159 -3,-0.4 4,-0.7 -4,-0.4 -1,-0.2 0.762 117.1 46.8 -61.9 -24.6 202.6 115.5 36.6 256 34 B Y H >> S+ 0 0 137 -4,-0.2 4,-1.4 2,-0.2 3,-0.8 0.937 111.9 45.5 -80.9 -54.0 204.2 116.1 33.2 257 35 B V H 3X S+ 0 0 23 -4,-2.4 4,-1.5 1,-0.3 -2,-0.2 0.790 108.2 63.2 -59.5 -26.8 201.5 118.5 31.8 258 36 B F H 3< S+ 0 0 58 -4,-2.2 4,-0.3 2,-0.2 -1,-0.3 0.862 97.9 52.4 -67.0 -38.2 201.7 120.2 35.2 259 37 B E H XX S+ 0 0 131 -3,-0.8 3,-2.3 -4,-0.7 4,-1.8 0.943 104.8 57.1 -62.4 -47.2 205.3 121.3 34.7 260 38 B I H 3< S+ 0 0 54 -4,-1.4 -1,-0.2 1,-0.3 3,-0.2 0.897 103.1 53.2 -48.0 -49.0 204.4 122.8 31.3 261 39 B L T 3< S+ 0 0 12 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.517 110.7 49.3 -68.5 -5.4 201.8 125.0 33.0 262 40 B K T X> S+ 0 0 66 -3,-2.3 4,-2.9 -4,-0.3 3,-2.1 0.767 88.4 78.1-102.4 -35.0 204.5 126.3 35.4 263 41 B E H 3X>S+ 0 0 136 -4,-1.8 4,-1.8 1,-0.3 5,-0.5 0.860 85.6 62.7 -42.6 -51.1 207.3 127.2 33.1 264 42 B P H 345S+ 0 0 27 0, 0.0 4,-0.4 0, 0.0 -1,-0.3 0.796 119.3 27.2 -48.3 -31.8 205.7 130.5 32.0 265 43 B I H <>5S+ 0 0 1 -3,-2.1 4,-1.7 3,-0.1 -2,-0.2 0.768 115.2 60.9-100.8 -34.9 206.0 131.7 35.6 266 44 B L H <5S+ 0 0 83 -4,-2.9 -3,-0.2 1,-0.2 -1,-0.1 0.635 118.6 29.6 -69.2 -14.3 208.9 129.7 36.8 267 45 B K T <5S+ 0 0 164 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.1 0.656 119.4 50.5-116.3 -27.0 211.2 131.3 34.3 268 46 B S T 4< + 0 0 45 -4,-1.7 3,-2.0 3,-0.1 -1,-0.2 -0.463 64.3 171.1-146.0 67.9 209.5 135.6 37.4 270 48 B P T 3 S+ 0 0 85 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.643 80.4 62.6 -53.8 -17.5 211.5 133.2 39.6 271 49 B E T 3 S+ 0 0 123 2,-0.1 2,-0.2 91,-0.1 -5,-0.1 0.810 82.7 94.0 -78.3 -29.0 211.0 135.5 42.6 272 50 B V S < S- 0 0 16 -3,-2.0 2,-0.6 -7,-0.2 91,-0.1 -0.436 71.8-148.2 -62.5 129.9 207.2 134.9 42.3 273 51 B E - 0 0 109 90,-2.3 2,-0.7 -2,-0.2 90,-0.1 -0.915 9.8-160.5-113.6 120.5 206.4 132.0 44.6 274 52 B L + 0 0 35 -2,-0.6 2,-0.4 93,-0.1 93,-0.2 -0.851 21.5 169.1 -97.9 112.5 203.6 129.5 43.9 275 53 B I B -b 367 0B 75 91,-0.9 2,-1.6 -2,-0.7 93,-1.0 -0.963 43.2-113.2-128.2 143.5 202.4 127.6 47.0 276 54 B T - 0 0 57 -2,-0.4 5,-0.1 1,-0.2 91,-0.1 -0.559 27.6-171.5 -74.0 89.6 199.5 125.4 47.6 277 55 B L + 0 0 142 -2,-1.6 -1,-0.2 3,-0.1 90,-0.0 0.755 60.8 98.5 -53.2 -23.7 197.6 127.6 50.1 278 56 B S S S- 0 0 48 1,-0.1 -2,-0.0 3,-0.1 91,-0.0 -0.128 92.4-112.2 -61.3 161.6 195.4 124.5 50.5 279 57 B P S S- 0 0 117 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.873 95.8 -33.3 -64.8 -36.5 196.0 122.2 53.5 280 58 B T S S+ 0 0 104 0, 0.0 3,-0.2 0, 0.0 -3,-0.1 -0.069 90.4 137.6 176.9 61.4 197.2 119.4 51.1 281 59 B E > + 0 0 68 1,-0.2 4,-0.5 -5,-0.1 -3,-0.1 -0.455 15.1 131.6-117.0 58.9 195.3 119.6 47.8 282 60 B P H > S+ 0 0 78 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.702 76.0 58.1 -80.1 -17.2 198.0 119.0 45.1 283 61 B L H > S+ 0 0 90 -3,-0.2 4,-3.5 2,-0.2 5,-0.3 0.896 91.9 64.8 -76.3 -44.1 195.6 116.4 43.6 284 62 B F H > S+ 0 0 116 1,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.824 110.0 41.8 -48.1 -33.4 192.8 118.9 43.1 285 63 B I H X S+ 0 0 18 -4,-0.5 4,-1.7 2,-0.2 -1,-0.3 0.864 112.7 52.2 -81.6 -40.2 195.1 120.6 40.7 286 64 B L H X S+ 0 0 27 -4,-1.3 4,-2.0 2,-0.2 -2,-0.2 0.842 114.9 43.6 -64.8 -34.4 196.4 117.4 39.1 287 65 B I H X S+ 0 0 65 -4,-3.5 4,-1.1 2,-0.2 -2,-0.2 0.950 108.5 54.1 -76.1 -52.9 192.8 116.3 38.5 288 66 B K H X S+ 0 0 93 -4,-1.7 4,-1.7 -5,-0.3 3,-0.2 0.847 115.5 43.8 -49.8 -35.8 191.4 119.5 37.2 289 67 B I H X>S+ 0 0 2 -4,-1.7 4,-1.7 1,-0.2 5,-0.6 0.941 105.3 59.0 -74.6 -50.4 194.3 119.4 34.7 290 68 B S H <5S+ 0 0 6 -4,-2.0 -40,-0.2 -5,-0.2 -1,-0.2 0.619 112.2 45.7 -55.2 -12.3 193.9 115.7 33.8 291 69 B L H X5S+ 0 0 73 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315 93 B Y S S+ 0 0 132 2,-0.1 4,-0.7 1,-0.1 -1,-0.1 0.316 84.9 72.3-117.0 6.2 180.4 113.1 2.4 320 98 B R T 4 S+ 0 0 209 1,-0.2 -1,-0.1 2,-0.2 -2,-0.1 0.556 97.9 52.5 -91.6 -13.2 183.7 114.2 0.8 321 99 B A T 4 S+ 0 0 31 2,-0.1 4,-0.3 1,-0.1 -1,-0.2 0.383 99.0 68.5 -98.8 -1.4 183.2 117.5 2.5 322 100 B F T >> S+ 0 0 8 2,-0.2 4,-1.9 3,-0.1 3,-0.5 0.915 95.6 49.0 -82.3 -50.2 182.8 115.6 5.8 323 101 B I H 3X S+ 0 0 85 -4,-0.7 4,-2.4 1,-0.2 5,-0.2 0.936 109.8 50.7 -57.0 -50.8 186.4 114.3 6.2 324 102 B P H 3> S+ 0 0 69 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.762 107.6 57.5 -60.6 -21.3 188.0 117.7 5.5 325 103 B L H <> S+ 0 0 19 -3,-0.5 4,-2.9 -4,-0.3 5,-0.2 0.931 108.1 44.6 -72.3 -47.1 185.7 119.0 8.2 326 104 B L H X S+ 0 0 33 -4,-1.9 4,-2.7 2,-0.2 5,-0.2 0.971 115.9 45.8 -60.5 -57.6 187.0 116.6 10.8 327 105 B L H X S+ 0 0 97 -4,-2.4 4,-2.8 2,-0.2 5,-0.3 0.942 116.7 45.0 -51.4 -54.8 190.7 117.2 9.9 328 106 B G H X S+ 0 0 20 -4,-2.0 4,-2.9 -5,-0.2 5,-0.2 0.954 115.0 46.4 -55.6 -54.4 190.2 120.9 9.8 329 107 B S H X S+ 0 0 1 -4,-2.9 4,-0.6 1,-0.2 -1,-0.2 0.824 112.8 53.9 -58.2 -32.0 188.2 121.1 13.0 330 108 B I H >X S+ 0 0 43 -4,-2.7 4,-1.5 -5,-0.2 3,-0.9 0.961 113.3 38.3 -67.6 -53.4 190.8 118.8 14.5 331 109 B L H 3X S+ 0 0 101 -4,-2.8 4,-2.5 1,-0.3 -2,-0.2 0.834 111.3 61.1 -67.2 -32.2 193.9 120.9 13.7 332 110 B L H 3X S+ 0 0 36 -4,-2.9 4,-2.0 -5,-0.3 -1,-0.3 0.710 102.7 53.0 -66.8 -19.8 191.8 124.0 14.5 333 111 B F H S+ 0 0 44 -4,-3.1 4,-2.5 2,-0.2 5,-1.0 0.930 108.4 40.8 -46.6 -59.7 197.1 130.0 20.6 340 118 B A H <>S+ 0 0 0 -4,-0.9 5,-2.4 3,-0.2 3,-0.2 0.962 117.0 46.5 -56.3 -59.0 195.9 130.6 24.2 341 119 B Y H <5S+ 0 0 31 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.790 125.3 32.1 -56.9 -31.7 198.8 128.8 26.0 342 120 B F H <5S+ 0 0 132 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.599 137.6 15.3-103.6 -14.0 201.4 130.4 23.8 343 121 B I T X5S+ 0 0 79 -4,-2.5 4,-1.8 -5,-0.3 -3,-0.2 0.690 126.0 39.3-122.4 -59.1 199.8 133.8 23.1 344 122 B V H > S+ 0 0 55 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.928 114.5 46.2 -59.8 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-0.118 96.8 -39.0 77.4-177.3 205.7 148.3 35.9 357 135 B F S > S+ 0 0 181 1,-0.2 3,-0.6 2,-0.1 2,-0.4 -0.198 85.9 132.6 -79.1 46.5 207.9 147.9 39.0 358 136 B T T 3 + 0 0 60 -2,-1.8 -1,-0.2 1,-0.2 3,-0.2 -0.222 30.5 115.3 -90.4 42.3 204.9 146.6 41.0 359 137 B Q T > + 0 0 116 -2,-0.4 3,-1.2 1,-0.2 -1,-0.2 0.685 59.8 69.0 -84.3 -21.7 207.2 143.8 42.1 360 138 B L T < S+ 0 0 147 -3,-0.6 -1,-0.2 1,-0.3 3,-0.2 0.786 97.4 52.0 -68.5 -28.4 207.1 144.9 45.8 361 139 B L T 3 S+ 0 0 131 1,-0.2 -1,-0.3 -3,-0.2 2,-0.2 0.285 112.1 49.0 -91.6 10.3 203.4 143.9 46.0 362 140 B A < + 0 0 28 -3,-1.2 -1,-0.2 3,-0.1 -91,-0.1 -0.672 65.8 95.7-158.2 99.6 204.0 140.4 44.7 363 141 B T S > S+ 0 0 54 -2,-0.2 -90,-2.3 -3,-0.2 3,-0.9 0.194 100.0 15.9-143.7 -85.7 206.6 137.8 45.7 364 142 B P T 3 S+ 0 0 76 0, 0.0 -92,-0.1 0, 0.0 -2,-0.0 0.018 114.2 85.8 -87.9 42.0 205.5 135.2 48.3 365 143 B Y T 3 + 0 0 143 -2,-0.2 -93,-0.1 2,-0.0 -91,-0.1 0.717 55.4 110.3-104.1 -31.2 202.0 136.4 47.4 366 144 B L < - 0 0 33 -3,-0.9 -91,-0.9 1,-0.1 2,-0.5 -0.167 54.6-149.4 -53.7 137.8 201.2 134.3 44.3 367 145 B S B > -b 275 0B 25 -93,-0.2 4,-2.0 1,-0.1 5,-0.2 -0.953 7.3-148.3-114.2 117.9 198.5 131.6 44.8 368 146 B V H > S+ 0 0 12 -93,-1.0 4,-3.4 -2,-0.5 5,-0.4 0.896 96.0 53.5 -48.6 -49.1 198.8 128.4 42.6 369 147 B D H >>S+ 0 0 66 -94,-0.3 4,-3.5 1,-0.2 5,-0.6 0.974 107.2 46.8 -50.4 -72.9 195.0 127.9 42.5 370 148 B M H >5S+ 0 0 130 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.850 123.1 38.7 -36.9 -49.0 194.1 131.4 41.2 371 149 B Y H X5S+ 0 0 12 -4,-2.0 4,-2.9 2,-0.2 3,-0.3 0.997 120.0 40.8 -68.4 -69.4 196.8 131.0 38.6 372 150 B I H X5S+ 0 0 5 -4,-3.4 4,-2.3 1,-0.3 5,-0.2 0.902 116.0 51.6 -46.4 -51.4 196.6 127.4 37.6 373 151 B S H X5S+ 0 0 18 -4,-3.5 4,-1.9 -5,-0.4 -1,-0.3 0.908 112.6 47.9 -53.9 -43.4 192.8 127.5 37.7 374 152 B F H XX S+ 0 0 75 -4,-2.6 3,-3.2 2,-0.2 4,-0.5 0.929 109.9 61.3 -78.9 -50.1 186.7 125.6 22.1 385 163 B A H >< S+ 0 0 21 -4,-3.1 3,-1.6 -5,-0.3 -2,-0.2 0.874 93.2 67.4 -43.4 -46.2 185.8 129.2 21.2 386 164 B F T 3< S+ 0 0 12 -4,-2.3 4,-0.5 1,-0.3 -1,-0.3 0.726 90.4 67.3 -48.5 -24.5 187.9 128.7 18.1 387 165 B E T <> S+ 0 0 17 -3,-3.2 4,-2.6 1,-0.2 5,-0.4 0.876 75.2 80.7 -67.6 -40.4 185.3 126.2 16.9 388 166 B M H > S+ 0 0 21 0, 0.0 4,-3.7 0, 0.0 3,-0.6 0.949 113.5 31.6 -45.8 -74.4 184.0 129.7 13.0 390 168 B I H 3> S+ 0 0 35 -4,-0.5 4,-2.3 1,-0.3 5,-0.3 0.902 121.0 52.9 -52.3 -46.2 183.9 126.3 11.3 391 169 B V H 3X S+ 0 0 35 -4,-2.6 4,-0.6 1,-0.2 -1,-0.3 0.846 118.1 37.4 -59.5 -34.6 180.7 125.4 13.3 392 170 B L H X S+ 0 0 71 -4,-3.7 4,-2.3 -5,-0.3 3,-1.1 0.969 105.5 44.6 -55.2 -56.9 180.7 128.4 8.6 394 172 B V H 3X S+ 0 0 5 -4,-2.3 4,-1.8 1,-0.3 6,-0.2 0.835 107.1 61.8 -57.1 -34.4 178.8 125.2 7.8 395 173 B L H 3<>S+ 0 0 37 -4,-0.6 5,-1.6 -5,-0.3 6,-1.3 0.833 109.1 41.6 -61.7 -33.1 175.7 126.9 9.3 396 174 B Q H X<5S+ 0 0 15 -4,-1.5 3,-1.0 -3,-1.1 -2,-0.2 0.918 109.8 54.0 -80.8 -47.8 175.9 129.6 6.6 397 175 B K H 3<5S+ 0 0 121 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.826 108.9 52.6 -56.4 -30.8 176.8 127.4 3.6 398 176 B A T 3<5S- 0 0 49 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.762 117.9-117.7 -75.4 -25.9 173.7 125.3 4.5 399 177 B G T < 5S+ 0 0 55 -3,-1.0 -3,-0.2 -4,-0.5 3,-0.2 0.452 82.2 119.3 101.9 3.0 171.6 128.5 4.5 400 178 B V S - 0 0 55 -2,-0.4 4,-0.8 -3,-0.2 3,-0.1 -0.548 26.1-115.7 -89.1 154.7 173.2 134.5 6.4 403 181 B P H >> S+ 0 0 18 0, 0.0 4,-1.5 0, 0.0 3,-0.6 0.861 117.3 52.5 -55.1 -37.7 176.4 136.6 6.5 404 182 B E H 3> S+ 0 0 135 1,-0.2 4,-1.5 2,-0.2 5,-0.3 0.917 97.2 63.7 -65.6 -45.2 174.2 139.7 7.1 405 183 B Q H 34 S+ 0 0 103 1,-0.3 -1,-0.2 2,-0.2 4,-0.1 0.751 107.9 45.6 -51.2 -24.3 172.3 138.1 10.0 406 184 B L H XX S+ 0 0 11 -4,-0.8 3,-1.7 -3,-0.6 4,-0.9 0.859 102.8 60.3 -86.6 -41.0 175.7 138.1 11.8 407 185 B A H 3< S+ 0 0 50 -4,-1.5 4,-0.3 1,-0.3 -2,-0.2 0.729 108.5 48.1 -58.4 -21.2 176.7 141.7 10.8 408 186 B S T 3< S+ 0 0 74 -4,-1.5 -1,-0.3 1,-0.2 4,-0.3 0.557 109.0 52.5 -94.3 -11.9 173.5 142.6 12.7 409 187 B F T <> S+ 0 0 82 -3,-1.7 4,-2.8 -5,-0.3 5,-0.3 0.427 81.1 98.6-100.2 -3.6 174.5 140.4 15.7 410 188 B R H X S+ 0 0 71 -4,-0.9 4,-1.7 1,-0.2 -1,-0.1 0.936 84.2 45.3 -46.4 -59.7 178.0 142.1 15.9 411 189 B K H > S+ 0 0 62 -4,-0.3 4,-0.7 1,-0.2 -1,-0.2 0.886 114.3 48.4 -54.1 -45.7 177.0 144.4 18.7 412 190 B Y H >> S+ 0 0 133 -4,-0.3 4,-1.0 1,-0.2 3,-0.8 0.870 108.6 53.2 -65.9 -38.1 175.2 141.6 20.7 413 191 B F H 3X S+ 0 0 21 -4,-2.8 4,-2.4 1,-0.2 5,-0.3 0.831 93.8 72.9 -66.3 -31.9 178.1 139.2 20.3 414 192 B I H 3X S+ 0 0 21 -4,-1.7 4,-1.1 1,-0.3 -1,-0.2 0.861 99.1 46.4 -50.1 -39.0 180.5 141.9 21.7 415 193 B V H X S+ 0 0 74 -4,-1.9 4,-1.2 -3,-0.3 3,-0.7 0.910 115.4 39.5 -83.2 -49.7 180.8 137.9 29.3 420 198 B I H 3X S+ 0 0 69 -4,-2.5 4,-1.0 1,-0.2 5,-0.3 0.875 112.9 58.4 -65.7 -37.5 183.0 134.9 28.7 421 199 B G H 3X S+ 0 0 0 -4,-1.1 4,-0.9 -5,-0.3 -1,-0.2 0.707 108.5 45.4 -65.7 -19.8 186.0 137.2 29.1 422 200 B A H <4 S+ 0 0 24 -3,-0.7 -1,-0.2 -4,-0.3 -2,-0.2 0.675 103.8 63.2 -94.7 -21.9 184.8 138.2 32.5 423 201 B I H < S+ 0 0 112 -4,-1.2 -2,-0.2 -3,-0.3 -3,-0.1 0.724 120.7 20.4 -75.0 -22.7 184.0 134.6 33.6 424 202 B I H < S+ 0 0 22 -4,-1.0 -2,-0.2 -47,-0.0 -46,-0.1 0.649 111.3 75.9-118.5 -25.7 187.6 133.5 33.3 425 203 B A < - 0 0 8 -4,-0.9 3,-0.0 -5,-0.3 4,-0.0 -0.682 63.2-150.2 -92.0 144.6 189.7 136.7 33.5 426 204 B P S S+ 0 0 70 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.981 73.6 21.8 -74.8 -62.5 190.2 138.6 36.9 427 205 B D S > S- 0 0 70 1,-0.1 4,-2.5 -242,-0.0 3,-0.5 -0.536 84.9-101.1-105.7 171.9 190.5 142.2 35.9 428 206 B V H > S+ 0 0 28 1,-0.2 4,-3.1 2,-0.2 5,-0.5 0.955 114.5 62.7 -54.1 -59.2 189.5 144.3 32.8 429 207 B S H > S+ 0 0 43 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.806 114.6 35.0 -36.3 -44.4 192.9 144.4 31.2 430 208 B T H > S+ 0 0 5 -3,-0.5 4,-1.2 2,-0.2 5,-0.4 0.956 114.0 55.1 -78.4 -55.5 192.7 140.6 30.8 431 209 B Q H X S+ 0 0 3 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.900 115.7 40.6 -41.6 -53.7 189.0 140.2 30.2 432 210 B V H X S+ 0 0 41 -4,-3.1 4,-2.1 2,-0.2 -1,-0.2 0.938 110.6 60.4 -62.6 -50.5 189.3 142.7 27.3 433 211 B L H >< S+ 0 0 36 -4,-1.5 3,-0.5 -5,-0.5 -2,-0.2 0.923 110.9 34.2 -40.3 -83.7 192.6 141.2 26.0 434 212 B M H 3X S+ 0 0 6 -4,-1.2 4,-1.1 1,-0.2 -1,-0.2 0.835 112.8 63.7 -43.0 -47.1 191.6 137.6 25.3 435 213 B A H >X S+ 0 0 0 -4,-1.5 4,-1.8 -5,-0.4 3,-1.1 0.925 93.3 59.6 -46.2 -60.5 188.1 138.7 24.2 436 214 B I H S+ 0 0 31 0, 0.0 4,-2.5 0, 0.0 -1,-0.3 0.888 107.4 47.3 -49.1 -46.8 190.9 137.7 19.6 438 216 B L H X S+ 0 0 99 -4,-3.2 4,-1.0 1,-0.3 3,-1.0 0.913 109.7 47.7 -49.5 -52.0 188.3 139.1 15.5 441 219 B L H >X S+ 0 0 48 -4,-2.5 4,-1.7 1,-0.3 3,-0.7 0.877 106.3 58.7 -59.0 -38.0 188.2 135.4 14.4 442 220 B Y H 3X S+ 0 0 16 -4,-2.5 4,-1.5 1,-0.3 -1,-0.3 0.784 101.3 56.5 -62.5 -26.2 184.5 135.7 14.3 443 221 B E H < S+ 0 0 40 -4,-1.5 3,-1.5 1,-0.2 -1,-0.2 0.864 110.7 57.8 -59.7 -35.9 181.7 136.3 8.1 447 225 B F H 3< S+ 0 0 129 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.910 98.3 59.0 -60.0 -42.6 184.5 137.4 5.8 448 226 B L T 3< S+ 0 0 83 -4,-2.6 2,-4.2 -3,-0.2 -1,-0.3 0.621 74.4 113.5 -61.6 -11.5 184.5 133.8 4.4 449 227 B G < + 0 0 26 -3,-1.5 2,-0.9 -4,-0.4 -1,-0.2 -0.241 38.5 151.0 -62.4 63.5 180.9 134.5 3.6 450 228 B K 0 0 152 -2,-4.2 -1,-0.1 1,-0.0 -2,-0.1 -0.842 360.0 360.0-102.8 98.2 181.7 134.3 -0.1 451 229 B L 0 0 171 -2,-0.9 -1,-0.0 0, 0.0 -54,-0.0 0.210 360.0 360.0-118.1 360.0 178.6 133.1 -1.9