==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 23-MAY-11 3S5M . COMPND 2 MOLECULE: FALCILYSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM; . AUTHOR E.MORGUNOVA,M.PONPUAK,E.ISTVAN,A.POPOV,D.GOLDBERG,T.ENEQVIST . 1094 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 45195.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 814 74.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 3.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 140 12.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.5 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 . 69 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 117 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 407 37.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 1.9 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 5 0 1 4 3 4 2 5 2 4 2 4 2 0 1 3 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 1 1 2 0 1 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 . 6 1 0 1 3 4 4 2 2 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 3 0 1 2 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 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 0 146 0, 0.0 23,-0.0 0, 0.0 21,-0.0 0.000 360.0 360.0 360.0 117.4 -11.2 -7.6 -6.9 2 58 A P > - 0 0 46 0, 0.0 3,-0.8 0, 0.0 4,-0.3 -0.085 360.0-120.1 -57.1 158.9 -12.1 -8.8 -3.3 3 59 A E G > S+ 0 0 176 1,-0.2 3,-1.1 2,-0.1 4,-0.4 0.778 104.0 70.1 -72.6 -29.1 -11.8 -12.5 -2.5 4 60 A W G 3 S+ 0 0 34 1,-0.2 3,-0.4 2,-0.1 4,-0.4 0.694 81.3 75.3 -63.1 -19.6 -15.5 -13.0 -1.6 5 61 A I G X S+ 0 0 27 -3,-0.8 3,-1.4 1,-0.2 4,-0.4 0.852 82.2 66.8 -69.1 -29.3 -16.6 -12.6 -5.2 6 62 A H G X S+ 0 0 128 -3,-1.1 3,-1.7 -4,-0.3 -1,-0.2 0.880 94.9 55.1 -55.3 -45.5 -15.4 -16.1 -6.3 7 63 A E G 3 S+ 0 0 117 -3,-0.4 -1,-0.3 -4,-0.4 -2,-0.2 0.587 98.3 65.5 -66.9 -12.9 -18.0 -18.0 -4.2 8 64 A K G < S+ 0 0 6 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.636 102.9 46.9 -84.1 -13.0 -20.7 -16.1 -5.9 9 65 A S S < S+ 0 0 15 -3,-1.7 -1,-0.2 -4,-0.4 -2,-0.1 -0.397 74.8 167.1-125.6 53.0 -20.0 -17.6 -9.3 10 66 A P - 0 0 26 0, 0.0 2,-0.1 0, 0.0 -3,-0.1 -0.330 39.9-109.3 -64.0 152.3 -19.6 -21.4 -8.8 11 67 A K - 0 0 196 -2,-0.0 2,-0.4 6,-0.0 5,-0.1 -0.481 31.8-166.4 -72.1 149.5 -19.6 -23.7 -11.8 12 68 A H > - 0 0 18 3,-0.4 3,-2.4 -2,-0.1 5,-0.0 -0.963 21.7-136.5-142.4 123.6 -22.7 -25.9 -12.3 13 69 A N T 3 S+ 0 0 130 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.0 0.683 101.7 55.9 -56.5 -23.1 -22.6 -28.8 -14.7 14 70 A S T 3 S+ 0 0 20 22,-0.1 22,-2.8 21,-0.1 23,-0.4 0.496 109.5 49.2 -86.7 -1.6 -26.1 -28.0 -16.1 15 71 A Y E < -A 35 0A 9 -3,-2.4 2,-0.5 20,-0.3 -3,-0.4 -0.914 67.2-137.6-135.8 154.7 -25.2 -24.5 -17.1 16 72 A D E -A 34 0A 78 18,-2.4 18,-3.2 -2,-0.3 2,-0.7 -0.973 25.4-129.1-106.2 132.7 -22.6 -22.4 -18.9 17 73 A I E +A 33 0A 59 -2,-0.5 16,-0.2 16,-0.2 3,-0.1 -0.709 32.0 172.7 -74.0 115.9 -21.5 -19.2 -17.4 18 74 A I E + 0 0 85 14,-2.7 2,-0.3 -2,-0.7 -1,-0.2 0.497 64.3 22.1-105.8 -5.6 -21.8 -16.7 -20.2 19 75 A E E +A 32 0A 64 13,-1.0 13,-2.5 2,-0.0 2,-0.3 -0.944 56.8 178.2-161.0 136.1 -21.1 -13.4 -18.3 20 76 A K E +A 31 0A 136 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.875 18.1 158.6-148.5 110.4 -19.2 -12.7 -15.1 21 77 A R E -A 30 0A 63 9,-2.7 9,-2.6 -2,-0.3 2,-0.4 -0.872 28.6-148.5-134.2 158.3 -18.8 -9.2 -13.8 22 78 A Y E -A 29 0A 45 -2,-0.3 2,-0.6 7,-0.2 7,-0.2 -1.000 10.7-153.9-129.4 129.8 -18.1 -7.3 -10.7 23 79 A N E >> -A 28 0A 3 5,-3.1 5,-2.0 -2,-0.4 4,-0.6 -0.919 4.4-168.0-107.5 117.7 -19.5 -3.8 -10.1 24 80 A E T >45S+ 0 0 113 -2,-0.6 3,-0.7 3,-0.2 -1,-0.2 0.905 81.8 60.7 -70.3 -42.6 -17.4 -1.8 -7.7 25 81 A E T 345S+ 0 0 54 1,-0.3 -1,-0.2 443,-0.2 444,-0.1 0.897 121.4 25.0 -55.4 -40.8 -19.9 1.1 -7.1 26 82 A F T 345S- 0 0 6 2,-0.1 -1,-0.3 442,-0.1 -2,-0.2 0.384 101.4-126.0-105.8 5.2 -22.5 -1.3 -5.7 27 83 A K T <<5 + 0 0 89 -3,-0.7 21,-0.5 -4,-0.6 2,-0.4 0.941 64.2 142.9 49.0 51.3 -20.1 -4.1 -4.5 28 84 A M E < -AB 23 47A 3 -5,-2.0 -5,-3.1 19,-0.1 2,-0.3 -0.976 47.8-142.2-129.1 134.9 -22.2 -6.5 -6.5 29 85 A T E -AB 22 46A 3 17,-1.9 17,-1.7 -2,-0.4 2,-0.4 -0.683 10.9-161.7 -91.2 148.0 -21.4 -9.6 -8.6 30 86 A Y E +AB 21 45A 3 -9,-2.6 -9,-2.7 -2,-0.3 2,-0.4 -0.959 15.1 171.6-132.4 110.1 -23.3 -10.2 -11.8 31 87 A T E -AB 20 44A 0 13,-2.4 13,-3.1 -2,-0.4 2,-0.6 -0.983 17.5-156.5-128.4 124.9 -23.1 -13.8 -13.2 32 88 A V E -AB 19 43A 0 -13,-2.5 -14,-2.7 -2,-0.4 -13,-1.0 -0.903 8.5-169.4-106.3 117.7 -25.2 -15.1 -16.1 33 89 A Y E -AB 17 42A 0 9,-3.1 9,-2.7 -2,-0.6 2,-0.6 -0.926 5.9-158.2-103.3 126.4 -25.8 -18.9 -16.2 34 90 A Q E -AB 16 41A 50 -18,-3.2 -18,-2.4 -2,-0.5 7,-0.2 -0.914 22.0-123.7-109.0 119.8 -27.3 -20.3 -19.4 35 91 A H E > -A 15 0A 6 5,-2.9 4,-1.5 -2,-0.6 -20,-0.3 -0.391 16.4-141.9 -61.3 130.9 -29.0 -23.7 -19.0 36 92 A K T 4 S+ 0 0 96 -22,-2.8 -1,-0.1 2,-0.2 -21,-0.1 0.891 94.3 31.2 -67.8 -38.9 -27.4 -26.0 -21.4 37 93 A K T 4 S+ 0 0 191 -23,-0.4 -1,-0.2 1,-0.1 -22,-0.1 0.924 132.8 27.2 -85.2 -49.2 -30.6 -27.9 -22.4 38 94 A A T 4 S- 0 0 2 2,-0.1 -2,-0.2 204,-0.1 3,-0.1 0.648 88.6-138.2 -90.5 -19.0 -33.3 -25.2 -22.1 39 95 A K < + 0 0 83 -4,-1.5 -3,-0.1 1,-0.3 204,-0.1 0.354 48.6 151.1 70.6 -0.5 -31.2 -22.1 -22.7 40 96 A T - 0 0 2 -6,-0.1 -5,-2.9 1,-0.1 2,-0.4 -0.351 40.9-133.4 -53.8 138.9 -33.1 -20.3 -19.9 41 97 A Q E -Bc 34 246A 42 204,-1.4 206,-2.6 -7,-0.2 2,-0.6 -0.823 13.7-161.0-103.3 132.6 -30.8 -17.7 -18.3 42 98 A V E -Bc 33 247A 0 -9,-2.7 -9,-3.1 -2,-0.4 2,-0.8 -0.973 8.8-159.4-107.9 119.3 -30.4 -17.3 -14.5 43 99 A I E -Bc 32 248A 1 204,-2.9 206,-2.3 -2,-0.6 2,-0.5 -0.895 11.2-161.6-102.8 106.7 -28.9 -13.9 -13.8 44 100 A S E -Bc 31 249A 4 -13,-3.1 -13,-2.4 -2,-0.8 2,-0.6 -0.813 8.0-164.6-103.5 124.3 -27.4 -14.1 -10.3 45 101 A L E -Bc 30 250A 1 204,-3.4 206,-1.9 -2,-0.5 2,-0.3 -0.932 12.9-163.0-107.8 118.2 -26.7 -10.9 -8.3 46 102 A G E -Bc 29 251A 2 -17,-1.7 -17,-1.9 -2,-0.6 2,-0.3 -0.787 8.5-175.6-110.5 146.5 -24.4 -11.4 -5.4 47 103 A T E -B 28 0A 6 204,-1.1 -19,-0.1 -2,-0.3 -20,-0.1 -0.929 23.1-163.9-134.1 155.3 -23.8 -9.2 -2.4 48 104 A N + 0 0 83 -21,-0.5 -20,-0.1 -2,-0.3 204,-0.1 0.175 51.8 125.6-121.1 9.1 -21.5 -9.3 0.5 49 105 A D > - 0 0 26 -22,-0.2 3,-2.0 1,-0.1 -2,-0.1 -0.618 56.9-144.5 -73.4 116.4 -23.4 -6.7 2.6 50 106 A P T 3 S+ 0 0 101 0, 0.0 -1,-0.1 0, 0.0 202,-0.1 0.756 97.4 56.7 -45.0 -31.8 -24.2 -8.2 6.0 51 107 A L T 3 S+ 0 0 63 1,-0.1 2,-1.7 2,-0.1 3,-0.2 0.506 79.8 94.4 -85.9 -7.6 -27.5 -6.5 6.2 52 108 A D < + 0 0 11 -3,-2.0 200,-0.3 1,-0.2 -1,-0.1 -0.589 43.2 143.7 -83.4 79.7 -28.7 -8.0 2.8 53 109 A V + 0 0 88 -2,-1.7 2,-0.2 198,-0.1 -1,-0.2 0.490 39.6 89.8-103.1 -5.1 -30.5 -10.9 4.5 54 110 A E - 0 0 16 -3,-0.2 2,-0.4 64,-0.0 66,-0.2 -0.625 63.6-148.3 -87.0 149.8 -33.5 -11.1 2.2 55 111 A Q E -D 119 0A 14 64,-2.4 64,-2.2 -2,-0.2 2,-0.3 -0.958 18.9-176.5-114.4 143.1 -33.4 -13.3 -1.0 56 112 A A E -DE 118 250A 6 194,-2.0 194,-2.7 -2,-0.4 2,-0.3 -0.961 11.0-171.5-135.5 150.6 -35.4 -12.3 -4.1 57 113 A F E -DE 117 249A 4 60,-2.4 60,-1.9 -2,-0.3 2,-0.3 -0.942 2.7-167.4-134.0 162.3 -36.1 -13.7 -7.5 58 114 A A E -DE 116 248A 0 190,-1.8 190,-3.3 -2,-0.3 2,-0.6 -0.936 14.7-146.9-148.8 131.4 -37.8 -12.3 -10.6 59 115 A F E -DE 115 247A 0 56,-2.8 56,-2.4 -2,-0.3 2,-0.5 -0.886 20.8-163.3 -93.7 123.7 -39.0 -13.9 -13.7 60 116 A Y E -DE 114 246A 8 186,-2.9 186,-2.2 -2,-0.6 2,-0.5 -0.943 9.6-179.9-115.9 118.6 -38.5 -11.5 -16.7 61 117 A V E -D 113 0A 0 52,-2.9 52,-2.6 -2,-0.5 2,-0.3 -0.972 25.4-134.7-121.8 120.8 -40.4 -12.2 -19.9 62 118 A K E +D 112 0A 30 -2,-0.5 50,-0.3 182,-0.4 2,-0.1 -0.584 30.7 176.0 -74.9 130.7 -40.1 -10.0 -23.0 63 119 A T - 0 0 0 48,-1.8 49,-0.2 -2,-0.3 2,-0.1 -0.547 8.3-173.9-146.8 74.2 -43.7 -9.4 -24.3 64 120 A L - 0 0 7 47,-0.2 2,-0.3 -2,-0.1 47,-0.1 -0.414 14.8-149.7 -71.3 141.5 -44.1 -7.0 -27.2 65 121 A T - 0 0 6 45,-0.3 150,-0.2 147,-0.2 152,-0.1 -0.829 19.4-168.6-115.3 161.7 -47.8 -6.3 -28.2 66 122 A H S S+ 0 0 110 -2,-0.3 2,-0.3 151,-0.0 -1,-0.1 0.104 72.0 20.9-135.1 16.7 -49.3 -5.4 -31.5 67 123 A S S S- 0 0 32 145,-0.1 3,-0.3 149,-0.0 152,-0.1 -0.927 85.0 -95.0-165.0-177.9 -52.8 -4.3 -30.5 68 124 A G S S+ 0 0 1 -2,-0.3 152,-2.8 1,-0.2 156,-0.3 0.108 82.8 113.1 -98.1 22.4 -54.7 -2.9 -27.6 69 125 A K S S- 0 0 38 150,-0.2 -1,-0.2 154,-0.2 158,-0.1 0.628 74.3-133.8 -74.5 -13.4 -56.0 -6.4 -26.6 70 126 A G > + 0 0 2 146,-0.4 4,-2.4 -3,-0.3 3,-0.5 0.678 47.5 155.1 72.6 23.4 -54.1 -6.5 -23.3 71 127 A I H > + 0 0 18 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.892 69.9 48.9 -52.7 -51.4 -52.8 -10.0 -23.7 72 128 A P H > S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.886 112.0 49.0 -57.7 -34.0 -49.7 -9.6 -21.5 73 129 A H H > S+ 0 0 19 144,-1.0 4,-1.8 -3,-0.5 -2,-0.2 0.880 109.8 50.7 -70.5 -42.4 -51.7 -8.0 -18.7 74 130 A I H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.926 111.5 49.5 -65.3 -37.6 -54.3 -10.7 -18.8 75 131 A L H X S+ 0 0 0 -4,-2.6 4,-2.7 -5,-0.2 5,-0.3 0.917 104.3 57.7 -63.1 -44.1 -51.5 -13.3 -18.6 76 132 A E H < S+ 0 0 25 -4,-2.3 4,-0.4 1,-0.2 -1,-0.2 0.877 115.3 38.5 -54.9 -40.8 -49.9 -11.5 -15.6 77 133 A H H < S+ 0 0 31 -4,-1.8 3,-0.4 1,-0.1 -1,-0.2 0.909 119.1 45.2 -73.0 -41.7 -53.2 -11.9 -13.7 78 134 A S H >< S+ 0 0 0 -4,-2.4 3,-1.4 1,-0.2 63,-0.3 0.796 99.2 63.9 -86.5 -23.8 -54.1 -15.3 -14.9 79 135 A V T 3< S+ 0 0 0 -4,-2.7 61,-0.3 1,-0.3 -1,-0.2 0.818 98.8 57.7 -71.9 -21.7 -50.9 -17.4 -14.6 80 136 A L T 3 S+ 0 0 15 -3,-0.4 12,-1.7 -4,-0.4 2,-0.5 0.487 84.6 86.6 -84.9 -3.9 -50.8 -16.9 -10.9 81 137 A S S < S- 0 0 12 -3,-1.4 -1,-0.2 1,-0.3 -2,-0.1 -0.279 108.8 -52.3 -92.5 46.8 -54.3 -18.5 -10.6 82 138 A G - 0 0 0 -2,-0.5 58,-2.7 -3,-0.2 59,-0.4 0.033 54.4-148.3 106.2 154.5 -53.0 -22.1 -10.4 83 139 A S B > -GH 86 139B 0 3,-2.1 3,-0.6 56,-0.3 52,-0.1 -0.906 37.8 -86.0-152.1 175.7 -50.6 -24.4 -12.2 84 140 A K T 3 S+ 0 0 129 54,-2.1 3,-0.3 50,-0.4 -1,-0.1 0.874 126.9 32.6 -58.1 -43.3 -50.0 -28.0 -13.1 85 141 A N T 3 S+ 0 0 74 1,-0.2 -1,-0.3 53,-0.1 2,-0.2 0.513 126.7 42.3 -93.5 -7.9 -48.1 -28.8 -9.9 86 142 A Y B < S-G 83 0B 52 -3,-0.6 2,-2.1 45,-0.1 -3,-2.1 -0.684 74.8-178.2-134.4 75.3 -50.0 -26.4 -7.7 87 143 A N + 0 0 94 -3,-0.3 2,-0.3 -5,-0.2 -3,-0.1 -0.452 30.2 130.9 -84.9 74.1 -53.5 -27.0 -8.9 88 144 A Y > - 0 0 8 -2,-2.1 3,-0.6 -5,-0.1 -2,-0.1 -0.885 65.6-122.4-122.8 151.8 -55.4 -24.5 -6.7 89 145 A K T 3 S+ 0 0 64 -2,-0.3 2,-0.1 1,-0.3 -1,-0.1 0.823 109.5 16.6 -61.0 -33.0 -57.9 -21.8 -7.7 90 146 A N T 3> + 0 0 39 1,-0.1 4,-1.6 -9,-0.1 -1,-0.3 -0.512 66.2 164.7-144.7 70.5 -55.7 -19.1 -6.2 91 147 A S H <> S+ 0 0 0 -3,-0.6 4,-1.5 1,-0.2 3,-0.3 0.902 83.0 50.6 -55.0 -47.8 -52.1 -20.2 -5.6 92 148 A I H > S+ 0 0 38 -12,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.855 106.0 56.3 -61.3 -34.6 -50.9 -16.6 -5.2 93 149 A G H > S+ 0 0 12 -13,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.878 103.8 54.2 -64.8 -33.8 -53.6 -16.0 -2.6 94 150 A L H X S+ 0 0 9 -4,-1.6 4,-0.8 -3,-0.3 -1,-0.2 0.845 108.3 48.9 -69.5 -33.8 -52.3 -18.9 -0.6 95 151 A L H >< S+ 0 0 2 -4,-1.5 3,-0.7 1,-0.2 4,-0.5 0.919 111.5 49.2 -68.2 -42.1 -48.9 -17.4 -0.6 96 152 A E H 3< S+ 0 0 76 -4,-2.3 3,-0.3 1,-0.2 -2,-0.2 0.871 108.4 55.0 -64.3 -33.0 -50.3 -14.0 0.5 97 153 A K H 3< S+ 0 0 32 -4,-1.9 909,-0.4 1,-0.2 -1,-0.2 0.660 126.1 9.2 -71.4 -24.6 -52.3 -15.7 3.3 98 154 A G S << S+ 0 0 6 -4,-0.8 2,-0.3 -3,-0.7 -1,-0.2 -0.014 90.6 98.2-165.8 61.0 -49.4 -17.4 4.9 99 155 A T - 0 0 10 -4,-0.5 910,-0.1 -3,-0.3 2,-0.1 -0.892 66.9-116.1-136.3 166.1 -45.7 -16.8 4.1 100 156 A L + 0 0 6 -2,-0.3 20,-1.4 21,-0.1 21,-0.3 -0.215 62.2 156.2 -87.9 40.1 -42.7 -14.8 5.4 101 157 A H E -F 119 0A 39 -6,-0.3 18,-0.3 18,-0.2 3,-0.1 -0.334 41.1-161.6 -68.2 148.2 -42.7 -12.9 2.1 102 158 A T E S- 0 0 37 16,-2.1 2,-0.3 1,-0.4 17,-0.2 0.736 81.1 -7.0 -89.1 -34.7 -41.1 -9.5 1.7 103 159 A H E -F 118 0A 16 15,-0.8 15,-1.7 2,-0.1 -1,-0.4 -0.966 51.6-167.8-160.7 150.1 -43.0 -8.8 -1.5 104 160 A L E +F 117 0A 22 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.861 37.1 145.7-143.2 100.6 -45.2 -10.7 -3.9 105 161 A N E -F 116 0A 56 11,-3.0 11,-2.3 -2,-0.3 2,-0.3 -0.872 33.0-166.9-142.4 163.8 -45.7 -8.8 -7.1 106 162 A A E -F 115 0A 18 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.955 14.4-168.9-151.5 141.3 -46.2 -9.0 -10.8 107 163 A Y E -F 114 0A 84 7,-2.5 7,-2.6 -2,-0.3 2,-0.6 -0.998 13.8-153.3-138.7 138.3 -46.0 -6.1 -13.3 108 164 A T E -F 113 0A 32 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0.956 113.4 42.3 -62.5 -46.5 -41.7 -22.5 -1.4 128 184 A I H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.917 114.2 50.6 -62.9 -47.4 -42.6 -19.1 -3.0 129 185 A M H X S+ 0 0 0 -4,-2.8 4,-2.9 1,-0.2 5,-0.2 0.884 106.7 55.4 -64.7 -35.1 -40.3 -19.6 -5.9 130 186 A G H X S+ 0 0 4 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.898 109.7 45.7 -62.1 -42.9 -41.6 -23.0 -6.7 131 187 A V H X S+ 0 0 2 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.929 115.5 45.4 -66.9 -46.7 -45.1 -21.7 -7.0 132 188 A Y H X S+ 0 0 2 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.914 111.4 53.5 -63.0 -41.5 -44.2 -18.7 -9.1 133 189 A M H X S+ 0 0 3 -4,-2.9 4,-2.0 1,-0.2 5,-0.2 0.917 110.2 45.7 -61.6 -43.0 -42.0 -20.8 -11.3 134 190 A D H X S+ 0 0 1 -4,-1.9 4,-2.7 -5,-0.2 -50,-0.4 0.847 111.0 54.0 -72.4 -32.3 -44.7 -23.3 -12.1 135 191 A S H < S+ 0 0 1 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.904 110.1 48.1 -60.6 -41.8 -47.2 -20.5 -12.7 136 192 A V H < S+ 0 0 0 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.920 125.7 25.8 -65.6 -42.3 -44.8 -19.0 -15.2 137 193 A F H < S+ 0 0 6 -4,-2.0 -2,-0.2 -5,-0.2 -3,-0.2 0.707 134.0 24.6-100.1 -25.4 -44.1 -22.2 -17.1 138 194 A Q S < S+ 0 0 19 -4,-2.7 -54,-2.1 -5,-0.2 -1,-0.2 -0.275 76.1 172.4-137.9 50.7 -47.2 -24.5 -16.6 139 195 A P B > -H 83 0B 5 0, 0.0 3,-1.3 0, 0.0 -56,-0.3 -0.338 36.2-134.0 -64.0 143.4 -50.2 -22.2 -15.8 140 196 A N G >> S+ 0 0 25 -58,-2.7 3,-2.5 -61,-0.3 4,-1.6 0.732 97.5 78.2 -67.8 -23.4 -53.7 -23.7 -15.6 141 197 A V G 34 S+ 0 0 0 -59,-0.4 -1,-0.3 -63,-0.3 7,-0.2 0.738 84.5 65.7 -56.2 -23.2 -55.1 -20.8 -17.7 142 198 A L G <4 S+ 0 0 12 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.609 115.1 27.0 -73.8 -11.1 -53.7 -22.7 -20.7 143 199 A E T <4 S+ 0 0 164 -3,-2.5 2,-0.5 1,-0.2 -2,-0.2 0.489 117.2 60.7-123.4 -14.9 -56.1 -25.6 -20.1 144 200 A N >X - 0 0 42 -4,-1.6 3,-1.5 1,-0.1 4,-0.8 -0.869 54.5-170.2-128.0 101.0 -59.0 -23.9 -18.4 145 201 A K H 3> S+ 0 0 91 -2,-0.5 4,-2.6 1,-0.3 5,-0.2 0.746 81.6 74.1 -62.4 -23.6 -60.8 -21.2 -20.2 146 202 A Y H 3> S+ 0 0 62 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.852 93.7 53.1 -60.9 -30.2 -62.8 -20.2 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-0.956 10.3-167.1-109.7 135.2 -72.1 -11.2 -17.6 157 213 A V E +I 178 0C 7 -2,-0.4 2,-0.3 21,-0.2 21,-0.2 -0.989 9.2 173.5-125.4 137.1 -75.8 -12.0 -17.5 158 214 A E E -I 177 0C 91 19,-2.0 19,-2.9 -2,-0.4 -2,-0.0 -0.988 41.0 -89.8-139.2 147.9 -78.3 -10.9 -14.9 159 215 A K E -I 176 0C 117 -2,-0.3 17,-0.2 17,-0.2 2,-0.1 -0.302 48.5-114.6 -57.8 131.8 -82.1 -11.2 -14.5 160 216 A L - 0 0 16 15,-2.4 2,-0.2 1,-0.1 -1,-0.1 -0.415 23.4-128.3 -66.6 139.4 -83.8 -8.1 -15.9 161 217 A K > - 0 0 101 -2,-0.1 4,-1.1 1,-0.1 -1,-0.1 -0.492 30.4-104.6 -76.1 160.7 -85.7 -5.9 -13.6 162 218 A E T >4 S+ 0 0 140 1,-0.2 3,-1.0 2,-0.2 -1,-0.1 0.939 120.7 45.5 -53.4 -54.0 -89.3 -5.1 -14.5 163 219 A D T 34 S+ 0 0 114 1,-0.2 -1,-0.2 3,-0.1 4,-0.2 0.940 106.9 59.0 -54.8 -49.8 -88.5 -1.6 -15.6 164 220 A E T >4 S+ 0 0 20 2,-0.1 3,-1.6 3,-0.0 -1,-0.2 0.700 79.7 112.5 -56.2 -23.5 -85.5 -2.6 -17.6 165 221 A K T << S- 0 0 88 -4,-1.1 3,-0.1 -3,-1.0 12,-0.0 -0.304 89.2 -0.3 -61.7 125.4 -87.6 -5.0 -19.8 166 222 A G T 3 S+ 0 0 66 1,-0.2 2,-0.5 4,-0.1 -1,-0.3 0.284 86.5 144.5 84.8 -10.7 -87.8 -3.9 -23.4 167 223 A K X - 0 0 97 -3,-1.6 3,-2.0 -4,-0.2 -1,-0.2 -0.489 43.8-149.3 -67.7 115.9 -85.7 -0.7 -23.0 168 224 A A T 3 S+ 0 0 74 -2,-0.5 -1,-0.2 1,-0.3 4,-0.1 0.780 93.1 59.4 -58.3 -27.9 -83.8 -0.4 -26.2 169 225 A E T 3 S+ 0 0 97 1,-0.1 -1,-0.3 2,-0.1 357,-0.1 0.578 93.4 75.6 -80.6 -9.9 -80.8 1.3 -24.4 170 226 A I S < S- 0 0 27 -3,-2.0 -4,-0.1 -6,-0.2 -1,-0.1 -0.901 86.4-125.2-106.3 111.9 -80.3 -1.7 -22.2 171 227 A P + 0 0 6 0, 0.0 7,-2.2 0, 0.0 2,-0.3 -0.380 47.3 154.8 -51.8 124.3 -78.6 -4.7 -23.8 172 228 A Q E +J 177 0C 49 5,-0.3 2,-0.3 -4,-0.1 5,-0.2 -0.991 26.0 176.6-155.8 155.2 -80.7 -7.8 -23.3 173 229 A M E > S-J 176 0C 11 3,-2.4 3,-2.3 -2,-0.3 356,-0.0 -0.942 71.6 -3.8-157.1 142.7 -81.6 -11.2 -24.5 174 230 A K T 3 S- 0 0 86 -2,-0.3 3,-0.1 1,-0.3 0, 0.0 0.824 130.1 -46.8 47.8 46.0 -83.9 -14.0 -23.2 175 231 A D T 3 S+ 0 0 68 1,-0.2 -15,-2.4 -16,-0.1 2,-0.4 0.516 117.1 105.5 77.8 1.5 -84.9 -12.2 -20.0 176 232 A Y E < -IJ 159 173C 35 -3,-2.3 -3,-2.4 -17,-0.2 2,-0.4 -0.931 66.5-131.1-117.4 141.0 -81.3 -11.2 -19.1 177 233 A K E -IJ 158 172C 51 -19,-2.9 -19,-2.0 -2,-0.4 2,-0.4 -0.736 30.4-147.4 -77.6 137.0 -79.4 -8.0 -19.1 178 234 A V E +I 157 0C 3 -7,-2.2 2,-0.3 -2,-0.4 -21,-0.2 -0.918 27.7 152.0-116.1 133.9 -76.1 -8.5 -20.8 179 235 A S E -I 156 0C 44 -23,-2.4 -23,-3.1 -2,-0.4 2,-0.3 -0.882 42.5 -98.3-144.7 174.0 -72.8 -6.7 -20.0 180 236 A F E +I 155 0C 14 -2,-0.3 2,-0.3 -25,-0.2 -25,-0.2 -0.765 40.5 173.8 -93.1 150.1 -69.0 -7.3 -20.1 181 237 A N E +I 154 0C 35 -27,-2.3 -27,-2.0 -2,-0.3 2,-0.2 -0.937 13.3 123.8-146.4 169.7 -67.1 -8.3 -17.0 182 238 A G > - 0 0 4 -2,-0.3 4,-2.9 -29,-0.2 5,-0.3 -0.493 59.3-104.5 143.4 146.3 -63.5 -9.4 -16.2 183 239 A I H > S+ 0 0 27 -33,-2.2 4,-2.2 2,-0.2 -31,-0.2 0.966 121.5 33.2 -60.3 -55.2 -60.7 -8.4 -13.9 184 240 A V H > S+ 0 0 0 -33,-2.4 4,-2.6 2,-0.2 5,-0.3 0.911 116.9 56.7 -71.1 -41.0 -58.6 -6.8 -16.5 185 241 A Y H > S+ 0 0 0 -33,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.943 112.9 40.9 -53.4 -49.3 -61.6 -5.5 -18.5 186 242 A N H X S+ 0 0 43 -4,-2.9 4,-2.2 -34,-0.2 -1,-0.2 0.861 112.2 55.1 -70.4 -35.6 -62.9 -3.7 -15.4 187 243 A E H X S+ 0 0 42 -4,-2.2 4,-1.5 -5,-0.3 -1,-0.2 0.919 112.4 43.1 -58.4 -43.4 -59.4 -2.5 -14.3 188 244 A M H X S+ 0 0 19 -4,-2.6 4,-0.6 2,-0.2 -2,-0.2 0.819 110.8 54.0 -80.2 -30.4 -58.9 -0.8 -17.7 189 245 A K H >< S+ 0 0 29 -4,-2.0 3,-1.1 -5,-0.3 4,-0.3 0.928 110.0 49.3 -60.8 -45.0 -62.4 0.6 -17.9 190 246 A G H >< S+ 0 0 22 -4,-2.2 3,-1.4 1,-0.3 4,-0.3 0.852 103.0 60.6 -62.3 -36.5 -61.8 2.2 -14.5 191 247 A A H >< S+ 0 0 26 -4,-1.5 3,-1.4 1,-0.3 -1,-0.3 0.701 86.6 76.3 -69.0 -16.0 -58.5 3.6 -15.7 192 248 A L T << S+ 0 0 86 -3,-1.1 107,-0.4 -4,-0.6 -1,-0.3 0.727 89.3 58.8 -64.4 -22.5 -60.3 5.6 -18.4 193 249 A S T < S+ 0 0 57 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.627 85.1 92.6 -83.1 -12.8 -61.4 8.1 -15.8 194 250 A S <> - 0 0 11 -3,-1.4 4,-2.3 -4,-0.3 5,-0.2 -0.702 60.2-161.9 -88.8 109.7 -57.8 8.9 -14.8 195 251 A P H > S+ 0 0 18 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47 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.896 111.4 49.4 -60.4 -40.4 -24.5 16.0 -5.6 432 509 A N H X S+ 0 0 12 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.935 110.5 48.4 -66.0 -43.6 -28.2 15.0 -5.4 433 510 A I H X S+ 0 0 13 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.935 111.9 50.9 -61.7 -44.2 -27.8 12.3 -8.1 434 511 A E H X S+ 0 0 46 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.862 110.6 48.9 -58.5 -41.0 -24.7 11.0 -6.3 435 512 A F H X S+ 0 0 7 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.911 109.7 50.5 -68.0 -44.8 -26.6 10.8 -3.0 436 513 A I H X S+ 0 0 88 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.917 111.7 49.1 -59.3 -40.4 -29.6 9.0 -4.6 437 514 A L H X S+ 0 0 23 -4,-2.4 4,-0.7 1,-0.2 -1,-0.2 0.887 112.1 48.3 -69.8 -36.9 -27.2 6.4 -6.1 438 515 A K H >< S+ 0 0 76 -4,-1.9 3,-1.1 1,-0.2 -2,-0.2 0.954 113.0 47.1 -64.8 -48.9 -25.4 5.9 -2.8 439 516 A E H >< S+ 0 0 12 -4,-2.8 3,-1.9 1,-0.3 4,-0.4 0.797 99.9 69.4 -62.1 -31.4 -28.7 5.5 -0.9 440 517 A A H >< S+ 0 0 34 -4,-1.8 3,-0.6 1,-0.3 -1,-0.3 0.818 97.5 50.7 -62.8 -32.0 -30.0 3.1 -3.5 441 518 A N T << S+ 0 0 13 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.2 0.420 109.6 52.0 -83.5 1.8 -27.5 0.4 -2.4 442 519 A L T < S+ 0 0 13 -3,-1.9 2,-0.3 -4,-0.2 -1,-0.2 0.329 86.2 109.3-118.4 2.7 -28.5 0.8 1.2 443 520 A K S X S- 0 0 95 -3,-0.6 3,-1.4 -4,-0.4 2,-0.2 -0.573 73.2-115.2 -86.2 141.6 -32.2 0.4 0.9 444 521 A T T 3 S+ 0 0 30 -2,-0.3 -2,-0.1 1,-0.3 -1,-0.1 -0.499 107.6 19.4 -61.5 141.0 -34.3 -2.6 2.0 445 522 A S T >> S+ 0 0 54 -2,-0.2 3,-1.4 1,-0.1 4,-0.7 0.775 76.2 146.2 60.9 23.4 -35.7 -4.2 -1.1 446 523 A K H <> + 0 0 9 -3,-1.4 4,-2.0 1,-0.3 3,-0.2 0.772 60.0 76.5 -57.9 -25.2 -33.1 -2.5 -3.4 447 524 A S H 3> S+ 0 0 6 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.784 86.6 59.9 -59.3 -32.3 -33.4 -5.7 -5.5 448 525 A I H <> S+ 0 0 25 -3,-1.4 4,-2.2 2,-0.2 -1,-0.2 0.961 108.6 40.8 -64.0 -51.2 -36.7 -4.5 -6.9 449 526 A D H X S+ 0 0 110 -4,-0.7 4,-2.4 1,-0.2 -2,-0.2 0.864 111.9 57.1 -69.7 -29.9 -35.3 -1.4 -8.4 450 527 A F H X S+ 0 0 7 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.924 108.0 47.6 -61.0 -47.2 -32.2 -3.2 -9.6 451 528 A V H X S+ 0 0 8 -4,-2.3 4,-2.8 1,-0.2 5,-0.3 0.912 110.4 51.5 -62.6 -42.6 -34.4 -5.7 -11.5 452 529 A F H X S+ 0 0 50 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.925 113.3 45.5 -59.7 -45.2 -36.4 -2.9 -13.1 453 530 A E H X S+ 0 0 24 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.951 115.2 45.7 -64.8 -47.7 -33.2 -1.1 -14.2 454 531 A M H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.913 111.8 51.2 -64.3 -39.1 -31.6 -4.2 -15.6 455 532 A T H X S+ 0 0 0 -4,-2.8 4,-2.0 2,-0.2 -1,-0.2 0.848 104.6 57.5 -72.0 -29.3 -34.7 -5.4 -17.4 456 533 A S H >X S+ 0 0 5 -4,-1.8 3,-0.7 -5,-0.3 4,-0.7 0.999 112.5 40.8 -58.2 -61.2 -35.1 -2.1 -19.1 457 534 A K H ><>S+ 0 0 5 -4,-1.8 5,-2.1 1,-0.3 3,-1.7 0.903 114.1 51.8 -55.3 -49.2 -31.6 -2.4 -20.6 458 535 A L H ><5S+ 0 0 34 -4,-2.8 3,-1.7 1,-0.3 -1,-0.3 0.846 100.1 63.9 -56.2 -34.6 -31.9 -6.1 -21.4 459 536 A N H <<5S+ 0 0 1 -4,-2.0 -177,-0.4 -3,-0.7 -1,-0.3 0.708 111.0 37.5 -64.6 -20.7 -35.1 -5.5 -23.3 460 537 A Y T <<5S- 0 0 22 -3,-1.7 -1,-0.3 -4,-0.7 -2,-0.2 0.041 119.3-105.0-116.8 19.5 -33.3 -3.4 -25.8 461 538 A N T < 5S+ 0 0 123 -3,-1.7 2,-0.2 1,-0.2 -3,-0.2 0.868 77.1 134.0 57.5 44.0 -30.1 -5.4 -25.9 462 539 A R < - 0 0 56 -5,-2.1 -1,-0.2 -6,-0.1 -2,-0.1 -0.672 66.4 -73.1-116.1 171.3 -28.1 -2.8 -23.9 463 540 A D > - 0 0 51 -2,-0.2 3,-1.7 1,-0.2 4,-0.3 -0.505 34.6-154.5 -73.6 113.4 -25.7 -3.1 -20.9 464 541 A P T 3 S+ 0 0 6 0, 0.0 3,-0.2 0, 0.0 -1,-0.2 0.743 91.9 51.5 -52.9 -27.5 -27.6 -4.0 -17.7 465 542 A L T 3> S+ 0 0 1 1,-0.2 4,-1.7 2,-0.1 3,-0.4 0.350 75.5 108.9 -99.0 8.5 -25.0 -2.5 -15.5 466 543 A L T X4 S+ 0 0 19 -3,-1.7 3,-0.7 1,-0.3 -1,-0.2 0.918 81.7 43.7 -49.2 -59.2 -24.8 1.0 -17.2 467 544 A I T 34 S+ 0 0 17 -4,-0.3 3,-0.3 1,-0.3 -1,-0.3 0.818 114.6 54.7 -63.9 -23.5 -26.5 3.1 -14.5 468 545 A F T 34 S+ 0 0 1 -3,-0.4 2,-1.5 1,-0.2 3,-0.3 0.812 94.6 64.7 -79.8 -32.0 -24.4 1.1 -12.0 469 546 A E S + 0 0 19 -2,-1.5 4,-2.7 -3,-0.3 5,-0.3 0.610 44.4 70.0 -87.2 -17.3 -21.5 5.5 -12.7 471 548 A E H > S+ 0 0 89 -3,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.957 100.9 46.0 -70.4 -48.9 -18.2 6.7 -11.3 472 549 A K H > S+ 0 0 128 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.937 119.8 41.7 -55.3 -46.7 -16.2 6.6 -14.5 473 550 A Y H X S+ 0 0 37 -4,-0.7 4,-2.2 1,-0.2 -2,-0.2 0.850 111.2 50.5 -83.1 -33.6 -19.0 8.2 -16.4 474 551 A L H X S+ 0 0 1 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.856 110.1 55.7 -66.2 -32.8 -20.1 11.0 -14.0 475 552 A N H X S+ 0 0 73 -4,-1.8 4,-2.0 -5,-0.3 -2,-0.2 0.941 106.8 48.0 -61.5 -47.8 -16.4 11.9 -13.8 476 553 A I H X S+ 0 0 59 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.941 113.0 48.0 -58.1 -47.2 -16.2 12.3 -17.5 477 554 A V H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.899 108.0 55.3 -64.6 -39.5 -19.3 14.5 -17.6 478 555 A K H X S+ 0 0 73 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.895 109.9 46.9 -56.9 -42.2 -18.1 16.6 -14.7 479 556 A N H X S+ 0 0 93 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.859 110.2 51.7 -72.6 -34.4 -14.9 17.3 -16.6 480 557 A K H X S+ 0 0 66 -4,-2.2 4,-2.9 2,-0.2 7,-0.2 0.914 108.7 51.9 -64.8 -43.2 -16.8 18.2 -19.8 481 558 A I H < S+ 0 0 38 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.890 115.5 42.7 -57.8 -38.2 -19.0 20.6 -17.9 482 559 A K H < S+ 0 0 171 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.889 126.3 29.1 -74.9 -38.7 -15.8 22.1 -16.6 483 560 A N H < S+ 0 0 119 -4,-2.6 -3,-0.2 1,-0.1 -2,-0.2 0.636 105.0 68.5-104.6 -19.3 -13.8 22.2 -19.9 484 561 A E S >< S- 0 0 89 -4,-2.9 3,-1.6 -5,-0.2 -1,-0.1 -0.901 83.9-119.3-109.2 108.5 -16.3 22.5 -22.8 485 562 A P T 3 S- 0 0 102 0, 0.0 5,-0.1 0, 0.0 -3,-0.1 -0.185 88.7 -6.8 -40.7 126.4 -18.1 25.8 -23.1 486 563 A M T 3> S+ 0 0 79 -5,-0.2 4,-2.9 1,-0.1 5,-0.3 0.756 82.8 156.4 57.1 30.1 -21.9 25.6 -22.9 487 564 A Y H <> S+ 0 0 37 -3,-1.6 4,-1.3 -7,-0.2 -6,-0.1 0.931 73.9 35.8 -51.7 -52.5 -21.7 21.8 -22.9 488 565 A L H > S+ 0 0 4 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.876 116.3 54.3 -74.1 -35.9 -25.1 21.4 -21.2 489 566 A E H > S+ 0 0 19 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.881 105.9 52.4 -66.1 -39.0 -26.7 24.3 -22.9 490 567 A K H X S+ 0 0 133 -4,-2.9 4,-2.4 2,-0.2 -1,-0.2 0.878 107.5 53.2 -63.4 -34.8 -25.8 23.0 -26.3 491 568 A F H X S+ 0 0 24 -4,-1.3 4,-2.9 -5,-0.3 5,-0.3 0.922 109.5 47.8 -66.9 -43.6 -27.4 19.7 -25.4 492 569 A V H X>S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 5,-1.9 0.923 111.6 50.4 -62.5 -42.2 -30.7 21.5 -24.4 493 570 A E H <>S+ 0 0 82 -4,-2.5 5,-2.6 3,-0.2 -2,-0.2 0.937 116.9 40.5 -61.3 -44.1 -30.6 23.5 -27.7 494 571 A K H <5S+ 0 0 91 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.914 125.1 31.8 -71.8 -43.3 -30.1 20.3 -29.8 495 572 A H H <5S+ 0 0 6 -4,-2.9 -3,-0.2 -5,-0.2 -1,-0.2 0.612 134.6 17.4 -98.6 -13.9 -32.5 17.9 -28.0 496 573 A F T ><5S+ 0 0 2 -4,-2.0 3,-0.8 -5,-0.3 -3,-0.2 0.672 124.0 39.7-118.8 -65.0 -35.2 20.2 -26.8 497 574 A I T 3 S+ 0 0 93 1,-0.1 4,-2.3 2,-0.1 -1,-0.2 0.480 90.6 93.2-104.4 -8.2 -70.8 14.0 -21.7 513 590 A Y H > S+ 0 0 55 -3,-0.4 4,-1.9 -215,-0.2 5,-0.2 0.904 83.3 50.0 -61.7 -46.8 -67.7 12.1 -22.6 514 591 A A H > S+ 0 0 41 -4,-0.5 4,-2.5 1,-0.2 -1,-0.2 0.909 113.5 47.7 -61.5 -37.3 -68.0 9.2 -20.3 515 592 A Q H > S+ 0 0 99 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.874 106.8 55.7 -72.2 -39.3 -71.6 8.6 -21.3 516 593 A E H X S+ 0 0 89 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.867 111.8 45.4 -57.6 -37.4 -70.8 8.8 -25.0 517 594 A Q H X S+ 0 0 38 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.884 109.7 52.3 -75.4 -39.7 -68.2 6.0 -24.4 518 595 A E H X S+ 0 0 53 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.855 110.0 52.6 -63.0 -28.3 -70.6 3.9 -22.3 519 596 A N H X S+ 0 0 79 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.844 104.4 52.4 -74.4 -37.9 -73.1 4.2 -25.2 520 597 A L H X S+ 0 0 93 -4,-1.4 4,-1.6 2,-0.2 -1,-0.2 0.898 111.0 49.8 -62.1 -39.3 -70.6 3.0 -27.8 521 598 A E H X S+ 0 0 31 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.909 109.9 49.5 -67.1 -45.8 -70.1 0.0 -25.6 522 599 A K H X S+ 0 0 78 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.904 109.1 53.2 -58.2 -40.0 -73.8 -0.6 -25.2 523 600 A Q H X S+ 0 0 103 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.862 107.9 50.8 -64.8 -33.7 -74.2 -0.3 -29.0 524 601 A E H X S+ 0 0 57 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.922 110.1 49.3 -70.4 -39.7 -71.5 -3.0 -29.4 525 602 A L H X S+ 0 0 6 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.908 111.1 49.9 -64.3 -41.8 -73.2 -5.3 -27.0 526 603 A K H X S+ 0 0 59 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.889 109.1 51.5 -63.8 -39.2 -76.5 -4.8 -28.8 527 604 A K H X S+ 0 0 105 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.919 110.7 49.5 -63.0 -41.7 -74.8 -5.6 -32.2 528 605 A R H X S+ 0 0 27 -4,-2.2 4,-1.0 1,-0.2 -2,-0.2 0.924 111.6 47.1 -65.0 -42.4 -73.4 -8.8 -30.7 529 606 A I H >< S+ 0 0 17 -4,-2.5 3,-0.6 1,-0.2 -1,-0.2 0.889 108.1 57.5 -65.5 -40.7 -76.7 -9.8 -29.3 530 607 A E H 3< S+ 0 0 130 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.845 109.7 44.8 -53.9 -38.6 -78.3 -9.0 -32.7 531 608 A N H 3< S+ 0 0 108 -4,-1.6 2,-0.4 -3,-0.2 -1,-0.2 0.586 90.1 100.1 -89.9 -12.2 -76.0 -11.4 -34.4 532 609 A F << - 0 0 37 -4,-1.0 2,-0.1 -3,-0.6 -3,-0.0 -0.620 66.2-143.2 -69.7 130.0 -76.3 -14.3 -31.9 533 610 A N > - 0 0 77 -2,-0.4 4,-2.2 1,-0.1 5,-0.2 -0.261 34.0 -92.7 -81.1 178.6 -78.7 -16.9 -33.0 534 611 A E H > S+ 0 0 99 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.894 125.9 51.1 -68.1 -35.3 -80.9 -18.7 -30.5 535 612 A Q H > S+ 0 0 107 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.897 110.7 49.8 -66.4 -40.7 -78.5 -21.5 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49.3-117.0 -61.2 147.4 -21.5 4.1 12.5 840 937 A Y G >4 S+ 0 0 91 1,-0.3 3,-1.4 2,-0.2 4,-0.4 0.903 114.5 60.3 -53.3 -42.2 -19.7 4.8 15.8 841 938 A G G 34 S+ 0 0 50 1,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.605 104.8 47.0 -67.4 -12.0 -16.6 5.8 13.9 842 939 A A G X4 S+ 0 0 12 -3,-1.8 3,-1.7 1,-0.1 4,-0.4 0.477 83.9 91.9-103.3 -7.8 -18.5 8.6 12.1 843 940 A L T XX S+ 0 0 1 -3,-1.4 4,-2.7 -4,-0.7 3,-1.6 0.817 75.5 69.4 -54.6 -30.3 -20.2 10.1 15.2 844 941 A K H 3>>S+ 0 0 108 -4,-0.4 5,-2.2 1,-0.3 4,-2.2 0.811 85.4 67.7 -62.0 -27.2 -17.2 12.5 15.5 845 942 A H H <45S+ 0 0 49 -3,-1.7 -1,-0.3 3,-0.2 -115,-0.2 0.786 114.5 29.7 -64.6 -24.8 -18.4 14.3 12.4 846 943 A L H <>5S+ 0 0 6 -3,-1.6 4,-1.3 -4,-0.4 -2,-0.2 0.879 126.1 39.8 -90.4 -61.7 -21.3 15.4 14.4 847 944 A F H <5S+ 0 0 2 -4,-2.7 -253,-0.4 2,-0.1 -254,-0.3 0.765 134.3 19.2 -69.1 -27.8 -20.1 15.6 18.0 848 945 A V T ><5S+ 0 0 76 -4,-2.2 3,-1.4 -5,-0.3 4,-0.3 0.831 130.5 38.9-101.2 -58.2 -16.6 17.1 17.1 849 946 A N T 34 S+ 0 0 37 -3,-1.4 4,-2.5 1,-0.2 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1,-0.2 3,-0.7 0.893 105.3 54.9 -55.7 -40.0 -34.1 26.5 20.4 862 959 A E H >< S+ 0 0 93 -4,-2.1 3,-1.6 -34,-0.3 4,-0.4 0.885 99.2 62.0 -62.2 -36.4 -33.5 27.6 24.0 863 960 A E H >< S+ 0 0 84 -4,-1.6 3,-0.7 -3,-0.3 -1,-0.2 0.811 101.5 53.3 -56.8 -30.7 -34.4 31.2 23.0 864 961 A N G X< S+ 0 0 7 -4,-1.1 3,-1.8 -3,-0.7 -1,-0.3 0.537 81.1 88.8 -85.2 -5.9 -37.9 29.9 22.2 865 962 A D G X S+ 0 0 14 -3,-1.6 3,-1.9 -4,-0.3 5,-0.3 0.818 75.5 71.8 -57.0 -29.0 -38.4 28.3 25.6 866 963 A K G < S+ 0 0 146 -3,-0.7 -1,-0.3 -4,-0.4 -2,-0.1 0.692 84.1 67.0 -63.6 -18.4 -39.8 31.7 26.7 867 964 A Y G < S+ 0 0 85 -3,-1.8 -1,-0.3 -43,-0.2 2,-0.3 0.275 85.3 100.2 -85.1 13.1 -42.9 31.0 24.5 868 965 A I S < S- 0 0 28 -3,-1.9 3,-0.1 1,-0.1 -43,-0.0 -0.709 86.4-113.9 -99.8 154.3 -43.8 28.2 26.9 869 966 A N - 0 0 72 -2,-0.3 2,-0.7 1,-0.2 8,-0.3 0.362 36.5-158.9 -62.8 -0.1 -46.4 28.3 29.8 870 967 A D + 0 0 60 -5,-0.3 -1,-0.2 1,-0.2 6,-0.1 -0.369 14.4 179.9 50.8 -97.9 -43.7 27.9 32.5 871 968 A M + 0 0 52 -2,-0.7 -1,-0.2 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-2,-0.2 -3,-0.3 -1,-0.2 0.894 115.4 47.1 -76.4 -39.5 -43.7 -8.3 12.7 1012 1109 A D S < S+ 0 0 20 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.148 78.5 144.3 -94.5 21.0 -40.4 -9.7 11.4 1013 1110 A K - 0 0 106 -3,-0.4 -911,-0.1 -5,-0.1 -3,-0.1 -0.265 60.8 -86.5 -61.5 148.9 -40.2 -7.6 8.2 1014 1111 A P + 0 0 26 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.348 54.0 168.2 -51.8 128.3 -36.8 -6.5 7.0 1015 1112 A R + 0 0 59 -3,-0.1 2,-0.3 -964,-0.1 -572,-0.0 -0.990 6.1 171.6-145.8 141.9 -35.4 -3.2 8.4 1016 1113 A R > - 0 0 21 -2,-0.3 3,-1.9 -574,-0.0 -572,-0.1 -0.974 50.0 -17.9-144.8 159.3 -32.1 -1.5 8.4 1017 1114 A G T >> S+ 0 0 10 -2,-0.3 4,-2.0 1,-0.3 3,-0.8 -0.157 129.5 10.5 55.9-125.0 -30.5 1.8 9.3 1018 1115 A I H 3> S+ 0 0 25 1,-0.3 4,-2.4 2,-0.2 -1,-0.3 0.787 126.2 62.6 -61.7 -29.5 -32.9 4.6 9.8 1019 1116 A E H <> S+ 0 0 71 -3,-1.9 4,-1.8 2,-0.2 -1,-0.3 0.910 106.5 44.3 -59.0 -46.5 -35.8 2.2 9.6 1020 1117 A L H <> S+ 0 0 27 -3,-0.8 4,-2.5 2,-0.2 -2,-0.2 0.890 112.7 49.6 -65.4 -44.1 -34.6 0.4 12.7 1021 1118 A S 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4.9 22.6 1031 1128 A N T < 5 + 0 0 53 -3,-1.4 2,-0.7 -4,-0.2 -326,-0.4 0.881 59.5 152.4 68.7 28.3 -44.7 3.2 25.9 1032 1129 A E < - 0 0 68 -5,-2.5 -1,-0.2 -6,-0.2 2,-0.1 -0.897 29.4-156.0 -95.8 112.0 -44.4 -0.3 24.3 1033 1130 A S > - 0 0 45 -2,-0.7 4,-1.9 -3,-0.1 5,-0.1 -0.393 27.7-113.2 -86.8 167.8 -42.1 -2.4 26.4 1034 1131 A E H > S+ 0 0 86 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.904 119.7 54.6 -60.3 -44.1 -40.0 -5.4 25.5 1035 1132 A Q H > S+ 0 0 125 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.893 104.5 54.1 -61.2 -35.3 -42.2 -7.5 27.7 1036 1133 A D H > S+ 0 0 12 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.927 110.0 47.5 -59.8 -45.1 -45.3 -6.3 25.8 1037 1134 A R H X S+ 0 0 24 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.893 111.3 50.3 -65.2 -37.5 -43.6 -7.5 22.6 1038 1135 A V H X S+ 0 0 53 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.937 113.7 45.0 -67.8 -42.1 -42.7 -10.9 24.1 1039 1136 A E H X S+ 0 0 72 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.899 111.9 52.0 -66.7 -39.6 -46.2 -11.4 25.3 1040 1137 A F H X S+ 0 0 44 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.952 111.6 46.9 -62.1 -46.2 -47.8 -10.3 22.0 1041 1138 A R H X S+ 0 0 9 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.890 109.8 53.5 -64.7 -38.0 -45.6 -12.7 20.1 1042 1139 A K H X S+ 0 0 124 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.926 110.1 47.4 -63.1 -45.6 -46.3 -15.6 22.5 1043 1140 A R H < S+ 0 0 45 -4,-2.2 -1,-0.2 1,-0.2 4,-0.2 0.901 109.8 52.8 -63.8 -40.6 -50.1 -15.1 22.0 1044 1141 A I H >< S+ 0 0 0 -4,-2.3 3,-1.5 1,-0.2 -1,-0.2 0.946 111.1 47.1 -56.4 -50.8 -49.7 -14.9 18.2 1045 1142 A M H 3< S+ 0 0 41 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.767 112.6 50.5 -65.4 -27.3 -47.8 -18.2 18.2 1046 1143 A N T 3< S+ 0 0 69 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.247 76.1 138.5 -98.1 12.6 -50.4 -19.8 20.5 1047 1144 A T < - 0 0 4 -3,-1.5 2,-0.3 -4,-0.2 -43,-0.1 -0.346 33.8-167.7 -57.9 132.9 -53.5 -18.8 18.5 1048 1145 A K >> - 0 0 105 1,-0.1 3,-1.5 -2,-0.0 4,-0.8 -0.814 37.4-105.4-122.2 162.1 -55.9 -21.7 18.3 1049 1146 A K H >> S+ 0 0 100 -2,-0.3 4,-1.3 1,-0.3 3,-1.0 0.868 117.1 65.8 -52.1 -35.6 -59.1 -22.5 16.3 1050 1147 A E H 3> S+ 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> S+ 0 0 116 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.928 111.4 45.2 -71.5 -44.2 -77.4 9.3 -8.1 1078 1175 A K H > S+ 0 0 88 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.882 113.6 50.6 -67.4 -41.0 -76.5 6.1 -6.2 1079 1176 A A H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.923 110.6 48.5 -58.6 -47.7 -76.5 7.9 -2.9 1080 1177 A N H X S+ 0 0 56 -4,-2.5 4,-2.2 -5,-0.2 -2,-0.2 0.901 111.9 49.8 -66.0 -36.3 -79.9 9.5 -3.5 1081 1178 A E H X S+ 0 0 109 -4,-2.1 4,-2.7 2,-0.2 5,-0.3 0.910 111.8 47.6 -66.2 -42.5 -81.4 6.1 -4.5 1082 1179 A Y H X>S+ 0 0 7 -4,-2.3 5,-2.5 2,-0.2 4,-2.3 0.907 113.8 47.7 -63.6 -42.1 -80.0 4.4 -1.4 1083 1180 A I H <5S+ 0 0 39 -4,-2.6 -2,-0.2 3,-0.2 -1,-0.2 0.903 117.5 43.2 -64.1 -36.8 -81.3 7.2 0.8 1084 1181 A A H <5S+ 0 0 73 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.915 128.8 23.4 -74.5 -41.1 -84.7 7.0 -0.9 1085 1182 A N H <5S+ 0 0 117 -4,-2.7 -3,-0.2 -5,-0.1 -2,-0.2 0.571 132.7 16.8-108.3 -17.2 -85.0 3.2 -1.1 1086 1183 A V T <5S+ 0 0 81 -4,-2.3 2,-0.3 -5,-0.3 -3,-0.2 0.705 123.3 7.7-128.4 -52.2 -82.9 1.6 1.6 1087 1184 A D > < - 0 0 27 -5,-2.5 3,-1.2 1,-0.1 -2,-0.1 -0.824 44.9-173.3-150.1 104.1 -81.7 3.8 4.4 1088 1185 A G T 3 S+ 0 0 47 -2,-0.3 -5,-0.1 1,-0.2 -1,-0.1 0.430 77.0 78.5 -77.9 -0.1 -82.8 7.4 4.9 1089 1186 A E T 3 S+ 0 0 118 2,-0.1 -189,-0.3 -190,-0.0 -1,-0.2 0.603 71.4 102.2 -82.7 -10.9 -80.3 8.1 7.8 1090 1187 A F < - 0 0 5 -3,-1.2 2,-0.4 -8,-0.1 -189,-0.2 -0.492 57.6-158.4 -74.7 144.9 -77.4 8.5 5.3 1091 1188 A K E -y 901 0I 129 -191,-2.0 -189,-2.3 -2,-0.1 2,-0.4 -0.962 14.6-121.3-126.4 143.0 -76.3 12.1 4.5 1092 1189 A K E -y 902 0I 90 -2,-0.4 2,-0.5 -191,-0.2 -189,-0.2 -0.656 17.9-168.8 -86.7 131.1 -74.5 13.4 1.5 1093 1190 A V E -y 903 0I 29 -191,-3.3 -189,-2.7 -2,-0.4 2,-0.5 -0.983 23.0-137.6-113.7 115.9 -71.2 15.2 1.9 1094 1191 A L E -y 904 0I 94 -2,-0.5 2,-0.7 -191,-0.2 -189,-0.1 -0.660 8.7-153.3 -85.6 124.9 -70.3 16.7 -1.4 1095 1192 A I 0 0 12 -191,-2.3 -1,-0.0 -2,-0.5 -2,-0.0 -0.832 360.0 360.0 -95.8 111.5 -66.6 16.4 -2.5 1096 1193 A E 0 0 149 -2,-0.7 -794,-0.0 -191,-0.1 -191,-0.0 -0.870 360.0 360.0-132.9 360.0 -65.8 19.3 -4.7