==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 17-SEP-08 3EIX . COMPND 2 MOLECULE: HTSA PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS SUBSP. AUREUS; . AUTHOR J.C.GRIGG,M.E.P.MURPHY . 290 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14709.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 208 71.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 9.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 21 7.2 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 . 4 1.4 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 . 21 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 95 32.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.1 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 1 3 2 1 0 0 0 0 1 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 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 0 PARALLEL BRIDGES PER LADDER . 1 1 1 1 0 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 1 0 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 36 A A 0 0 144 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 93.0 54.0 20.7 45.4 2 37 A S - 0 0 74 1,-0.0 15,-2.3 2,-0.0 16,-0.4 -0.613 360.0-164.9 -76.5 148.8 53.7 20.8 49.2 3 38 A T E -A 16 0A 56 13,-0.3 2,-0.5 -2,-0.2 11,-0.1 -0.842 24.6-131.3-134.8 164.1 51.6 18.0 50.7 4 39 A I E -A 15 0A 25 11,-2.5 11,-2.8 -2,-0.3 2,-0.6 -0.989 27.9-139.3-115.5 122.4 49.9 16.9 53.9 5 40 A S E +A 14 0A 59 -2,-0.5 2,-0.3 9,-0.2 9,-0.2 -0.748 30.9 167.2 -87.4 123.3 50.7 13.3 54.9 6 41 A V E -A 13 0A 5 7,-2.4 7,-2.5 -2,-0.6 2,-0.5 -0.914 33.0-117.9-129.5 158.1 47.7 11.3 56.2 7 42 A K E +A 12 0A 148 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.827 35.0 168.8 -94.4 133.7 47.1 7.7 56.8 8 43 A D E > -A 11 0A 17 3,-3.0 3,-1.3 -2,-0.5 100,-0.2 -0.614 55.7 -75.7-125.5-167.6 44.5 5.7 54.9 9 44 A E T 3 S+ 0 0 93 98,-2.8 99,-0.1 1,-0.3 3,-0.1 0.635 129.9 46.4 -71.4 -11.0 43.6 2.1 54.6 10 45 A N T 3 S- 0 0 106 1,-0.3 2,-0.4 97,-0.3 -1,-0.3 0.389 120.4 -95.7-107.9 3.9 46.6 1.4 52.3 11 46 A G E < S+A 8 0A 34 -3,-1.3 -3,-3.0 2,-0.0 -1,-0.3 -0.964 79.5 1.1 122.4-140.9 49.3 3.3 54.3 12 47 A T E -A 7 0A 81 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.664 54.2-172.3 -86.6 141.5 50.5 6.9 53.8 13 48 A V E -A 6 0A 21 -7,-2.5 -7,-2.4 -2,-0.3 2,-0.8 -0.998 17.4-143.8-128.1 134.0 49.1 9.2 51.1 14 49 A K E -A 5 0A 121 -2,-0.4 -9,-0.2 -9,-0.2 -2,-0.0 -0.877 20.9-160.6 -95.7 109.2 50.6 12.6 50.4 15 50 A V E -A 4 0A 0 -11,-2.8 -11,-2.5 -2,-0.8 69,-0.1 -0.810 22.3-112.9 -93.9 126.9 47.7 14.9 49.7 16 51 A P E > -A 3 0A 25 0, 0.0 3,-1.4 0, 0.0 -13,-0.3 -0.308 13.8-136.4 -56.6 139.0 48.4 18.1 47.8 17 52 A K T 3 S+ 0 0 115 -15,-2.3 -14,-0.1 1,-0.3 -2,-0.0 0.728 105.5 57.7 -64.5 -21.8 47.9 21.3 49.8 18 53 A D T 3 S+ 0 0 103 -16,-0.4 2,-0.4 65,-0.1 -1,-0.3 0.257 74.0 137.6 -94.6 15.0 46.2 22.8 46.7 19 54 A A < + 0 0 16 -3,-1.4 3,-0.1 1,-0.2 -4,-0.0 -0.467 9.5 137.4 -65.8 117.2 43.6 20.0 46.5 20 55 A K + 0 0 142 -2,-0.4 2,-0.6 1,-0.2 19,-0.2 0.595 52.0 67.2-130.3 -30.6 40.2 21.7 45.8 21 56 A R + 0 0 94 60,-0.1 62,-2.6 19,-0.1 63,-1.3 -0.890 67.7 180.0-107.5 112.4 38.4 19.6 43.1 22 57 A I E -b 84 0B 2 -2,-0.6 19,-1.8 17,-0.3 20,-1.2 -0.928 23.6-155.1-127.9 132.9 37.5 16.2 44.6 23 58 A V E -bc 85 42B 0 61,-2.1 63,-2.7 -2,-0.4 2,-0.4 -0.903 18.0-162.5-102.5 131.9 35.7 13.1 43.2 24 59 A V E -bc 86 43B 0 18,-2.3 20,-1.9 -2,-0.5 63,-0.2 -0.945 15.1-164.5-121.1 142.1 34.0 10.9 45.9 25 60 A L S S+ 0 0 0 61,-2.3 2,-0.3 -2,-0.4 63,-0.2 0.188 70.8 48.7-116.2 16.2 32.9 7.3 45.4 26 61 A E S > S- 0 0 0 60,-0.2 4,-1.2 1,-0.1 3,-0.4 -0.981 78.3-121.1-147.0 157.5 30.6 6.8 48.4 27 62 A Y H > S+ 0 0 8 -2,-0.3 4,-2.1 242,-0.3 3,-0.3 0.884 109.8 58.4 -64.4 -41.5 27.6 8.8 49.8 28 63 A S H > S+ 0 0 9 241,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.841 102.7 54.7 -59.6 -33.4 29.2 9.3 53.3 29 64 A F H > S+ 0 0 2 -3,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.853 105.1 52.7 -72.0 -34.9 32.2 11.0 51.6 30 65 A A H X S+ 0 0 0 -4,-1.2 4,-2.5 -3,-0.3 -2,-0.2 0.914 109.7 49.5 -61.7 -43.8 29.9 13.5 49.9 31 66 A D H X S+ 0 0 11 -4,-2.1 4,-2.4 239,-0.2 -2,-0.2 0.913 108.8 53.4 -58.8 -43.1 28.4 14.3 53.4 32 67 A A H X S+ 0 0 3 -4,-2.1 4,-1.1 1,-0.2 -2,-0.2 0.943 111.0 45.0 -58.9 -49.6 31.9 14.7 54.8 33 68 A L H ><>S+ 0 0 0 -4,-2.1 5,-2.6 1,-0.2 3,-0.7 0.930 111.9 51.5 -63.1 -44.4 32.8 17.3 52.2 34 69 A A H ><5S+ 0 0 6 -4,-2.5 3,-1.6 1,-0.3 -1,-0.2 0.897 106.7 54.6 -60.4 -39.6 29.5 19.2 52.5 35 70 A A H 3<5S+ 0 0 23 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.792 110.2 47.9 -61.4 -28.2 30.0 19.4 56.3 36 71 A L T <<5S- 0 0 5 -4,-1.1 -1,-0.3 -3,-0.7 -2,-0.2 0.161 121.5-106.8 -98.0 12.2 33.5 21.0 55.5 37 72 A D T < 5S+ 0 0 126 -3,-1.6 2,-0.4 1,-0.2 -3,-0.2 0.830 77.9 131.9 64.0 35.1 32.0 23.5 53.0 38 73 A V < - 0 0 23 -5,-2.6 -1,-0.2 -8,-0.1 -2,-0.2 -0.961 47.8-148.8-118.6 136.5 33.5 21.7 50.0 39 74 A K - 0 0 127 -2,-0.4 -17,-0.3 -19,-0.2 -9,-0.0 -0.898 19.8-133.8-104.6 108.5 31.5 20.8 46.8 40 75 A P - 0 0 1 0, 0.0 -17,-0.2 0, 0.0 3,-0.1 -0.350 2.6-147.7 -57.8 146.2 32.7 17.6 45.2 41 76 A V S S+ 0 0 30 -19,-1.8 23,-2.0 1,-0.2 2,-0.3 0.716 83.1 24.3 -85.8 -22.8 33.1 17.9 41.4 42 77 A G E -cd 23 64B 0 -20,-1.2 -18,-2.3 21,-0.2 2,-0.4 -0.997 64.8-174.9-143.3 145.6 32.1 14.2 40.9 43 78 A I E -cd 24 65B 0 21,-1.8 23,-2.2 -2,-0.3 2,-1.4 -0.999 30.3-131.0-140.1 133.3 30.0 11.7 42.9 44 79 A A + 0 0 0 -20,-1.9 24,-0.1 -2,-0.4 25,-0.1 -0.735 44.3 160.2 -77.9 90.1 29.3 8.0 42.3 45 80 A D > - 0 0 7 -2,-1.4 3,-2.2 22,-0.2 6,-0.3 0.203 55.8-116.2-103.5 11.8 25.6 8.5 42.8 46 81 A D T 3 - 0 0 31 21,-2.2 22,-0.2 1,-0.3 -2,-0.1 0.681 65.5 -73.4 59.4 22.4 24.4 5.3 41.1 47 82 A G T 3 S+ 0 0 63 20,-0.4 2,-0.5 1,-0.1 -1,-0.3 0.655 114.2 112.0 66.8 18.0 22.7 7.5 38.6 48 83 A K X - 0 0 112 -3,-2.2 3,-2.2 1,-0.1 4,-0.3 -0.863 48.8-170.0-129.4 92.7 20.1 8.4 41.2 49 84 A K G > S+ 0 0 151 -2,-0.5 3,-1.6 1,-0.3 -1,-0.1 0.819 85.9 63.5 -53.1 -33.7 20.2 12.0 42.5 50 85 A K G 3 S+ 0 0 152 1,-0.3 -1,-0.3 7,-0.0 4,-0.2 0.660 83.9 76.3 -72.4 -10.4 17.8 11.2 45.3 51 86 A R G < S+ 0 0 37 -3,-2.2 2,-0.7 -6,-0.3 -1,-0.3 0.713 79.3 80.6 -70.5 -20.6 20.3 8.8 46.8 52 87 A I S < S- 0 0 4 -3,-1.6 5,-0.1 -4,-0.3 214,-0.1 -0.824 102.2-110.4 -87.0 114.0 22.3 11.9 48.1 53 88 A I >> - 0 0 23 -2,-0.7 4,-2.7 212,-0.1 3,-0.9 -0.094 30.3-110.2 -54.1 141.7 20.3 12.9 51.2 54 89 A K H 3> S+ 0 0 109 1,-0.3 4,-2.7 2,-0.2 5,-0.3 0.781 111.8 46.3 -49.4 -52.6 18.4 16.1 50.7 55 90 A P H 3> S+ 0 0 60 0, 0.0 4,-1.4 0, 0.0 -1,-0.3 0.884 118.3 44.7 -63.1 -33.6 20.3 18.6 52.9 56 91 A V H <> S+ 0 0 6 -3,-0.9 4,-2.5 2,-0.2 5,-0.2 0.943 114.0 49.7 -68.6 -47.7 23.6 17.3 51.6 57 92 A R H X S+ 0 0 46 -4,-2.7 4,-2.1 1,-0.2 -3,-0.2 0.895 112.0 47.7 -56.2 -44.1 22.4 17.4 48.0 58 93 A E H < S+ 0 0 120 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.864 111.8 49.5 -73.0 -34.0 21.0 20.9 48.3 59 94 A K H < S+ 0 0 95 -4,-1.4 -2,-0.2 -5,-0.3 -1,-0.2 0.909 113.3 45.5 -69.9 -42.0 24.2 22.2 49.8 60 95 A I H < S- 0 0 4 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.902 88.6-177.1 -66.8 -43.9 26.5 20.7 47.2 61 96 A G < + 0 0 36 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.1 -0.438 48.9 15.2 75.3-145.7 24.4 21.8 44.2 62 97 A D S S+ 0 0 159 -2,-0.1 2,-0.3 -4,-0.1 -4,-0.0 -0.264 70.3 153.9 -71.1 138.3 25.4 20.8 40.7 63 98 A Y - 0 0 34 -20,-0.0 2,-0.5 -2,-0.0 -21,-0.2 -0.920 43.3-102.5-151.0 167.9 28.0 18.0 40.3 64 99 A T E -d 42 0B 60 -23,-2.0 -21,-1.8 -2,-0.3 2,-0.3 -0.906 31.9-128.8-101.3 129.2 28.9 15.4 37.6 65 100 A S E -d 43 0B 45 -2,-0.5 -21,-0.2 -23,-0.2 3,-0.1 -0.564 16.1-169.1 -71.7 137.3 27.9 11.8 38.1 66 101 A V - 0 0 1 -23,-2.2 7,-2.9 1,-0.3 2,-0.2 0.075 45.5-114.0-111.2 21.8 30.7 9.2 37.8 67 102 A G B +F 72 0C 23 -24,-0.4 -21,-2.2 5,-0.2 -20,-0.4 -0.550 62.5 1.7 93.3-151.6 28.3 6.3 37.8 68 103 A T - 0 0 52 3,-0.6 -23,-0.1 -22,-0.2 5,-0.0 -0.437 51.3-132.1 -79.9 152.4 27.7 3.4 40.2 69 104 A R S S+ 0 0 15 1,-0.2 19,-0.1 2,-0.2 -1,-0.1 0.861 109.8 54.5 -63.1 -37.3 29.5 2.8 43.5 70 105 A K S S+ 0 0 148 1,-0.2 -1,-0.2 22,-0.0 -3,-0.0 0.933 128.9 11.9 -61.3 -46.7 30.0 -0.8 42.4 71 106 A Q S S- 0 0 136 24,-0.0 -3,-0.6 2,-0.0 -1,-0.2 -0.640 80.4-160.6-137.5 73.6 31.7 0.1 39.1 72 107 A P B -F 67 0C 12 0, 0.0 2,-0.9 0, 0.0 -5,-0.2 -0.189 28.1-111.2 -55.7 152.0 32.6 3.8 38.9 73 108 A N > - 0 0 68 -7,-2.9 4,-1.9 1,-0.2 3,-0.3 -0.726 28.9-169.9 -88.5 101.0 33.2 5.2 35.4 74 109 A L H > S+ 0 0 27 -2,-0.9 4,-2.3 1,-0.2 -1,-0.2 0.712 83.8 59.4 -74.0 -16.1 37.0 5.9 35.3 75 110 A E H > S+ 0 0 155 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.890 107.7 46.4 -71.0 -39.8 36.7 7.8 32.0 76 111 A E H > S+ 0 0 62 -3,-0.3 4,-1.4 2,-0.2 -2,-0.2 0.873 113.6 48.7 -68.8 -36.2 34.3 10.2 33.6 77 112 A I H < S+ 0 0 0 -4,-1.9 4,-0.5 2,-0.2 3,-0.2 0.943 113.4 47.5 -65.8 -46.2 36.7 10.5 36.6 78 113 A S H >< S+ 0 0 54 -4,-2.3 3,-2.1 1,-0.2 -2,-0.2 0.936 107.9 55.2 -56.5 -49.6 39.6 11.1 34.3 79 114 A K H 3< S+ 0 0 162 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.833 102.0 57.8 -57.7 -33.7 37.7 13.7 32.3 80 115 A L T 3< S- 0 0 26 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.649 93.1-150.7 -69.3 -15.7 37.1 15.7 35.5 81 116 A K < - 0 0 166 -3,-2.1 -3,-0.1 -4,-0.5 -2,-0.1 0.883 24.9-165.3 40.3 56.9 40.9 15.9 36.1 82 117 A P - 0 0 9 0, 0.0 -60,-0.2 0, 0.0 -1,-0.1 -0.214 30.3-137.7 -68.3 161.4 40.4 16.0 39.8 83 118 A D S S+ 0 0 47 -62,-2.6 2,-0.3 1,-0.3 -61,-0.2 0.690 89.3 10.2 -81.5 -26.7 43.0 17.0 42.4 84 119 A L E -b 22 0B 0 -63,-1.3 -61,-2.1 19,-0.1 2,-0.4 -0.984 61.4-153.5-157.2 141.7 42.0 14.2 44.8 85 120 A I E -be 23 105B 0 19,-2.2 21,-2.7 -2,-0.3 2,-0.6 -0.975 8.0-155.3-120.4 135.0 39.8 11.0 44.7 86 121 A I E -be 24 106B 0 -63,-2.7 -61,-2.3 -2,-0.4 2,-0.2 -0.963 23.4-179.8-112.7 115.3 38.2 9.5 47.8 87 122 A A E - e 0 107B 1 19,-3.1 21,-2.6 -2,-0.6 2,-0.4 -0.721 31.8-103.3-116.1 158.5 37.5 5.8 47.3 88 123 A D E > - e 0 108B 0 -2,-0.2 4,-2.3 19,-0.2 21,-0.2 -0.698 20.8-141.9 -86.7 129.5 36.0 3.1 49.5 89 124 A S T 4 S+ 0 0 10 19,-2.3 20,-0.2 -2,-0.4 -1,-0.1 0.658 100.5 36.3 -68.4 -17.4 38.5 0.7 51.0 90 125 A S T >4 S+ 0 0 43 18,-0.3 3,-0.6 2,-0.1 -1,-0.2 0.807 122.6 39.2 -95.6 -47.9 36.2 -2.3 50.5 91 126 A R T 34 S+ 0 0 64 1,-0.2 3,-0.3 2,-0.1 -2,-0.2 0.794 117.4 44.6 -72.7 -30.2 34.5 -1.5 47.2 92 127 A H T 3X + 0 0 5 -4,-2.3 4,-0.7 1,-0.2 -1,-0.2 0.129 68.5 110.6-116.5 22.0 37.4 -0.0 45.2 93 128 A K T X4 S+ 0 0 164 -3,-0.6 3,-0.6 1,-0.2 4,-0.4 0.878 82.7 52.5 -58.8 -41.5 40.5 -2.3 45.8 94 129 A G T 34 S+ 0 0 66 -3,-0.3 3,-0.3 1,-0.2 4,-0.3 0.860 113.2 41.1 -69.0 -34.3 40.4 -3.4 42.2 95 130 A I T 3> S+ 0 0 33 1,-0.2 4,-2.8 -4,-0.1 -1,-0.2 0.459 87.0 99.7 -90.0 -0.5 40.3 0.0 40.6 96 131 A N H S+ 0 0 154 -4,-0.4 4,-1.1 -3,-0.3 -1,-0.2 0.946 114.4 45.3 -59.2 -46.1 45.8 1.2 40.7 98 133 A E H > S+ 0 0 106 -4,-0.3 4,-0.8 1,-0.2 3,-0.4 0.894 111.2 52.6 -65.5 -40.9 43.8 2.9 37.9 99 134 A L H >X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 3,-1.1 0.914 104.2 57.0 -61.9 -40.7 42.6 5.7 40.2 100 135 A N H 3< S+ 0 0 75 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.790 100.1 58.2 -64.7 -25.9 46.1 6.5 41.4 101 136 A K H 3< S+ 0 0 162 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.766 110.4 44.9 -70.7 -25.4 47.1 7.1 37.7 102 137 A I H << S- 0 0 45 -3,-1.1 -2,-0.2 -4,-0.8 -1,-0.2 0.906 129.2 -32.4 -82.2 -47.7 44.4 9.8 37.6 103 138 A A S < S- 0 0 6 -4,-2.2 -1,-0.3 -22,-0.0 -19,-0.1 -0.984 80.2 -61.4-163.4 160.4 45.0 11.6 40.9 104 139 A P - 0 0 48 0, 0.0 -19,-2.2 0, 0.0 2,-0.4 -0.309 59.8-155.2 -47.0 132.8 46.1 11.2 44.5 105 140 A T E -e 85 0B 3 -21,-0.2 2,-0.5 -19,-0.1 -19,-0.2 -0.983 14.0-155.8-129.3 124.2 43.6 8.7 46.0 106 141 A L E -e 86 0B 0 -21,-2.7 -19,-3.1 -2,-0.4 2,-0.6 -0.877 9.4-154.5 -94.6 133.8 42.5 8.2 49.6 107 142 A S E +e 87 0B 7 -2,-0.5 -98,-2.8 -21,-0.2 2,-0.3 -0.950 28.2 164.3-112.2 107.5 41.1 4.8 50.5 108 143 A L E -e 88 0B 3 -21,-2.6 -19,-2.3 -2,-0.6 -18,-0.3 -0.883 38.4 -95.6-129.4 155.4 38.8 5.0 53.5 109 144 A K + 0 0 40 -2,-0.3 12,-0.2 -21,-0.2 -21,-0.0 -0.504 61.7 119.7 -72.1 138.1 36.1 3.0 55.2 110 145 A S S > S+ 0 0 0 -2,-0.2 3,-1.7 11,-0.1 -1,-0.2 0.086 75.4 42.9-148.2 -72.1 32.4 3.5 54.4 111 146 A F T 3 S+ 0 0 98 1,-0.3 -2,-0.1 7,-0.0 7,-0.0 0.843 128.8 30.0 -53.2 -43.2 30.7 0.4 53.1 112 147 A D T 3 S+ 0 0 78 66,-0.1 2,-0.3 5,-0.0 -1,-0.3 0.223 103.5 105.1-104.7 19.3 32.4 -2.0 55.6 113 148 A G < - 0 0 6 -3,-1.7 66,-0.3 1,-0.1 -5,-0.0 -0.732 60.2-140.3 -98.4 144.8 32.7 0.6 58.4 114 149 A D > - 0 0 32 -2,-0.3 4,-1.9 64,-0.1 65,-0.2 -0.025 45.5 -80.8 -79.6-169.9 30.6 0.9 61.5 115 150 A Y H > S+ 0 0 7 63,-0.4 4,-2.0 64,-0.2 5,-0.2 0.954 130.9 44.0 -64.5 -48.3 29.4 4.2 62.9 116 151 A K H > S+ 0 0 118 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.875 112.3 53.2 -67.0 -35.7 32.7 5.1 64.7 117 152 A Q H > S+ 0 0 70 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.886 107.3 51.9 -68.5 -35.0 34.7 4.1 61.6 118 153 A N H X S+ 0 0 11 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.902 109.9 48.8 -67.2 -38.0 32.7 6.3 59.4 119 154 A I H X S+ 0 0 24 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.852 108.5 54.9 -69.0 -30.2 33.3 9.2 61.7 120 155 A N H X S+ 0 0 84 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.906 104.9 52.5 -66.7 -38.6 37.0 8.3 61.7 121 156 A S H X S+ 0 0 5 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.900 106.4 54.3 -60.5 -40.3 36.9 8.6 57.9 122 157 A F H X S+ 0 0 7 -4,-1.8 4,-2.7 1,-0.2 -1,-0.2 0.930 107.2 50.8 -57.4 -45.8 35.4 12.1 58.2 123 158 A K H X S+ 0 0 117 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.895 109.3 50.1 -60.8 -41.8 38.3 13.0 60.5 124 159 A T H X S+ 0 0 21 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.925 110.8 49.8 -63.7 -42.6 40.9 11.8 57.9 125 160 A I H X S+ 0 0 2 -4,-2.5 4,-1.6 2,-0.2 -2,-0.2 0.941 109.8 51.0 -59.8 -46.2 39.1 13.8 55.2 126 161 A A H <>S+ 0 0 2 -4,-2.7 5,-3.0 1,-0.2 3,-0.3 0.924 112.5 46.0 -57.9 -44.5 39.2 16.9 57.3 127 162 A K H ><5S+ 0 0 88 -4,-2.3 3,-1.9 1,-0.2 -1,-0.2 0.926 108.8 55.5 -64.3 -45.0 42.9 16.5 58.0 128 163 A A H 3<5S+ 0 0 2 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.810 110.8 46.0 -56.9 -31.3 43.7 15.8 54.4 129 164 A L T 3<5S- 0 0 22 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.200 116.0-109.5 -98.6 12.9 42.0 19.1 53.4 130 165 A N T < 5S+ 0 0 122 -3,-1.9 -3,-0.2 -5,-0.1 -2,-0.1 0.900 89.1 116.0 56.6 41.9 43.6 21.3 56.0 131 166 A K >< + 0 0 55 -5,-3.0 4,-2.4 -6,-0.2 -4,-0.2 -0.152 22.4 129.3-126.8 37.3 40.2 21.6 57.8 132 167 A E H > S+ 0 0 97 -6,-0.2 4,-2.2 -5,-0.2 5,-0.2 0.915 76.1 46.0 -61.1 -46.2 41.1 19.8 61.1 133 168 A K H > S+ 0 0 163 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.919 112.5 50.6 -64.5 -43.4 39.7 22.6 63.3 134 169 A E H > S+ 0 0 97 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.891 111.0 49.7 -60.0 -40.2 36.5 22.9 61.2 135 170 A G H X S+ 0 0 4 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.891 109.0 51.5 -66.7 -38.5 36.1 19.1 61.5 136 171 A E H X S+ 0 0 120 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.929 111.3 47.9 -63.4 -46.3 36.5 19.2 65.3 137 172 A K H X S+ 0 0 169 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.950 112.9 48.6 -57.4 -50.1 33.9 22.0 65.5 138 173 A R H X S+ 0 0 26 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.871 111.6 48.5 -61.3 -43.5 31.5 20.0 63.3 139 174 A L H X S+ 0 0 17 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.879 108.8 53.3 -69.1 -33.1 31.9 16.8 65.2 140 175 A A H X S+ 0 0 61 -4,-2.3 4,-2.0 -5,-0.2 -2,-0.2 0.936 111.5 46.7 -65.3 -41.0 31.4 18.5 68.6 141 176 A E H X S+ 0 0 120 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.927 112.8 50.2 -62.6 -47.5 28.1 20.0 67.2 142 177 A H H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 -2,-0.2 0.929 110.7 48.0 -57.0 -48.8 27.1 16.5 65.9 143 178 A D H X S+ 0 0 74 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.896 110.7 51.2 -64.1 -38.8 27.8 14.7 69.1 144 179 A K H X S+ 0 0 174 -4,-2.0 4,-1.8 -5,-0.2 -1,-0.2 0.931 112.8 46.2 -65.0 -41.8 25.8 17.4 71.1 145 180 A L H X S+ 0 0 36 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.927 110.7 51.9 -67.2 -43.8 22.8 17.0 68.8 146 181 A I H X S+ 0 0 7 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.923 111.5 47.0 -58.6 -41.7 22.9 13.2 68.8 147 182 A N H X S+ 0 0 75 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.823 109.6 53.7 -74.0 -27.4 22.9 13.2 72.6 148 183 A K H X S+ 0 0 122 -4,-1.8 4,-1.1 2,-0.2 -2,-0.2 0.941 111.4 45.7 -65.7 -45.9 20.1 15.7 72.7 149 184 A Y H >X S+ 0 0 38 -4,-2.7 4,-1.4 1,-0.2 3,-0.8 0.924 108.2 57.7 -63.9 -41.9 18.0 13.4 70.5 150 185 A K H >< S+ 0 0 69 -4,-2.6 3,-0.6 1,-0.3 -1,-0.2 0.922 107.2 47.8 -51.3 -46.7 19.0 10.4 72.7 151 186 A D H 3< S+ 0 0 138 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.707 111.9 50.8 -70.9 -20.0 17.5 12.1 75.7 152 187 A E H << S+ 0 0 95 -4,-1.1 2,-0.7 -3,-0.8 -1,-0.2 0.575 81.5 102.1 -91.4 -12.6 14.3 13.0 73.7 153 188 A I << - 0 0 6 -4,-1.4 131,-0.1 -3,-0.6 132,-0.1 -0.639 55.8-166.6 -74.8 113.7 13.7 9.4 72.4 154 189 A K + 0 0 146 -2,-0.7 -1,-0.2 130,-0.3 3,-0.1 0.617 42.7 121.7 -81.8 -13.1 10.9 8.2 74.8 155 190 A F S S- 0 0 28 128,-0.2 2,-0.5 1,-0.1 132,-0.1 -0.187 73.4-108.0 -56.7 140.8 11.1 4.5 73.9 156 191 A D > - 0 0 83 1,-0.2 3,-1.9 2,-0.1 -1,-0.1 -0.543 23.6-148.9 -65.9 116.4 11.8 2.1 76.8 157 192 A R T 3 S+ 0 0 49 -2,-0.5 33,-0.5 1,-0.3 -1,-0.2 0.609 91.0 73.3 -70.7 -8.9 15.4 0.9 76.2 158 193 A N T 3 S+ 0 0 102 31,-0.1 2,-1.0 2,-0.1 -1,-0.3 0.606 74.8 91.1 -77.0 -10.5 14.6 -2.5 77.8 159 194 A Q S < S- 0 0 40 -3,-1.9 31,-0.3 64,-0.1 33,-0.1 -0.764 84.6-135.4 -82.3 104.9 12.6 -3.3 74.6 160 195 A K - 0 0 88 -2,-1.0 64,-2.0 29,-0.1 2,-0.4 -0.324 18.4-137.9 -68.1 146.2 15.4 -5.0 72.6 161 196 A V E -gh 191 224D 0 29,-2.4 31,-2.4 62,-0.2 32,-0.5 -0.871 15.5-163.2-116.5 137.6 15.6 -3.9 69.0 162 197 A L E - h 0 225D 0 62,-2.2 64,-2.3 -2,-0.4 2,-0.4 -0.969 10.9-164.2-113.4 111.3 16.2 -5.8 65.7 163 198 A P E + h 0 226D 1 0, 0.0 11,-2.5 0, 0.0 2,-0.3 -0.814 27.4 146.6 -90.6 136.8 17.3 -3.7 62.7 164 199 A A E -Ih 173 227D 0 62,-2.2 64,-2.8 -2,-0.4 2,-0.3 -0.991 42.8-129.9-159.6 161.1 17.0 -5.4 59.3 165 200 A V E -I 172 0D 3 7,-2.5 7,-2.8 -2,-0.3 2,-0.4 -0.727 42.0-101.5-105.3 166.6 16.2 -5.2 55.6 166 201 A V E +I 171 0D 25 62,-0.5 2,-0.3 -2,-0.3 5,-0.2 -0.764 53.0 150.9 -91.4 133.4 13.8 -7.6 53.8 167 202 A A E > -I 170 0D 26 3,-2.0 3,-2.2 -2,-0.4 -2,-0.0 -0.944 52.6 -5.5-162.8 138.4 15.2 -10.5 51.8 168 203 A K T 3 S- 0 0 121 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.872 121.9 -51.0 52.1 56.1 14.4 -14.0 50.7 169 204 A A T 3 S+ 0 0 78 1,-0.2 -1,-0.3 44,-0.1 45,-0.3 0.483 132.1 49.5 62.3 1.6 11.1 -14.6 52.5 170 205 A G E < S-I 167 0D 0 -3,-2.2 -3,-2.0 43,-0.1 2,-0.4 -0.512 96.4 -71.5-138.0-150.9 12.7 -13.4 55.9 171 206 A L E -IJ 166 212D 0 41,-2.5 41,-3.3 -5,-0.2 2,-0.8 -0.948 23.1-144.6-119.2 138.2 14.8 -10.6 57.2 172 207 A L E -IJ 165 211D 30 -7,-2.8 -7,-2.5 -2,-0.4 39,-0.2 -0.912 34.9-150.5-100.2 100.3 18.4 -9.9 56.6 173 208 A A E -IJ 164 210D 0 37,-3.1 37,-2.3 -2,-0.8 -9,-0.3 -0.545 13.0-136.1 -87.9 142.1 19.4 -8.5 60.0 174 209 A H - 0 0 10 -11,-2.5 19,-0.2 -2,-0.2 35,-0.1 -0.850 32.1-138.5 -92.6 112.5 22.1 -6.0 60.8 175 210 A P > - 0 0 0 0, 0.0 3,-1.7 0, 0.0 6,-0.5 -0.008 28.7 -88.4 -73.6-176.1 24.0 -7.3 63.9 176 211 A N T 3 S+ 0 0 40 17,-0.6 9,-0.2 1,-0.3 18,-0.1 0.734 125.4 51.3 -69.0 -15.6 25.2 -5.3 66.9 177 212 A Y T 3 S+ 0 0 114 4,-0.1 -1,-0.3 5,-0.1 2,-0.0 0.369 89.0 101.9-102.2 0.3 28.6 -4.5 65.2 178 213 A S S <> S- 0 0 13 -3,-1.7 4,-2.7 -64,-0.1 -63,-0.4 -0.292 90.9 -99.8 -71.4 168.2 27.1 -3.1 62.0 179 214 A Y H > S+ 0 0 18 -66,-0.3 4,-2.3 -65,-0.2 -64,-0.2 0.942 124.9 40.5 -50.7 -55.1 26.8 0.6 61.3 180 215 A V H > S+ 0 0 1 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.926 114.5 52.0 -68.8 -42.1 23.1 0.7 62.3 181 216 A G H > S+ 0 0 0 -6,-0.5 4,-2.0 1,-0.2 -1,-0.2 0.914 112.8 45.2 -57.7 -46.6 23.6 -1.7 65.3 182 217 A Q H X S+ 0 0 32 -4,-2.7 4,-2.2 -7,-0.2 -1,-0.2 0.910 111.6 52.1 -66.6 -40.8 26.4 0.4 66.7 183 218 A F H X S+ 0 0 0 -4,-2.3 4,-1.5 -5,-0.3 -2,-0.2 0.928 108.5 51.3 -61.0 -44.9 24.5 3.7 66.2 184 219 A L H <>S+ 0 0 0 -4,-2.7 5,-2.4 1,-0.2 3,-0.3 0.916 108.6 51.9 -58.2 -40.1 21.5 2.2 68.0 185 220 A N H ><5S+ 0 0 92 -4,-2.0 3,-1.9 1,-0.2 -1,-0.2 0.892 104.2 56.5 -61.7 -37.8 23.8 1.3 70.9 186 221 A E H 3<5S+ 0 0 65 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.831 104.8 53.2 -61.5 -32.4 25.1 4.9 70.9 187 222 A L T 3<5S- 0 0 0 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.299 127.0-101.5 -85.2 9.8 21.4 6.0 71.4 188 223 A G T < 5S+ 0 0 28 -3,-1.9 -3,-0.2 1,-0.3 -2,-0.1 0.531 75.4 139.9 85.7 6.1 21.1 3.6 74.4 189 224 A F < - 0 0 3 -5,-2.4 2,-0.6 -6,-0.2 -1,-0.3 -0.453 49.6-131.5 -78.2 160.5 19.2 0.8 72.7 190 225 A K - 0 0 95 -33,-0.5 -29,-2.4 -31,-0.3 2,-0.3 -0.960 21.1-133.6-110.6 114.6 20.0 -2.9 73.4 191 226 A N B -g 161 0D 14 -2,-0.6 -29,-0.2 -31,-0.2 -31,-0.1 -0.555 4.4-141.9 -68.7 129.7 20.3 -4.9 70.2 192 227 A A S S+ 0 0 8 -31,-2.4 2,-2.0 -2,-0.3 -30,-0.2 0.850 93.5 76.0 -57.3 -35.8 18.4 -8.2 70.3 193 228 A L S S+ 0 0 2 -32,-0.5 -17,-0.6 -19,-0.2 -1,-0.2 -0.546 72.9 179.7 -79.7 78.8 21.3 -9.8 68.4 194 229 A S > - 0 0 40 -2,-2.0 4,-2.9 1,-0.1 5,-0.3 -0.229 45.9 -99.5 -64.4 167.1 23.7 -10.0 71.4 195 230 A D H > S+ 0 0 107 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.928 126.8 48.2 -58.1 -42.3 27.1 -11.5 70.8 196 231 A D H > S+ 0 0 127 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.916 111.9 49.1 -65.0 -43.4 25.9 -14.9 72.2 197 232 A V H 4 S+ 0 0 48 2,-0.2 4,-0.4 1,-0.2 -2,-0.2 0.942 112.6 47.2 -59.8 -48.6 22.7 -14.8 70.1 198 233 A T H >< S+ 0 0 11 -4,-2.9 3,-1.3 1,-0.2 4,-0.4 0.913 108.1 55.9 -64.3 -37.9 24.7 -14.0 66.9 199 234 A K H >< S+ 0 0 153 -4,-2.4 3,-1.0 -5,-0.3 -1,-0.2 0.908 108.3 48.9 -55.9 -42.9 27.2 -16.8 67.7 200 235 A G T 3< S+ 0 0 68 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.457 115.7 43.4 -80.3 -1.2 24.3 -19.3 67.9 201 236 A L T X S+ 0 0 20 -3,-1.3 3,-2.4 -4,-0.4 -1,-0.2 0.229 78.9 112.4-118.2 7.5 22.9 -18.0 64.5 202 237 A S G X + 0 0 48 -3,-1.0 3,-2.2 -4,-0.4 -2,-0.1 0.747 62.0 70.5 -66.8 -22.4 26.2 -17.8 62.6 203 238 A K G 3 S+ 0 0 176 1,-0.3 -1,-0.3 -4,-0.2 -4,-0.1 0.659 98.0 57.0 -64.2 -13.8 25.4 -20.7 60.2 204 239 A Y G < S+ 0 0 59 -3,-2.4 7,-2.3 2,-0.0 -1,-0.3 0.319 78.9 127.3 -96.7 4.3 22.9 -18.1 58.7 205 240 A L E < -K 210 0D 66 -3,-2.2 2,-0.4 5,-0.2 5,-0.2 -0.369 37.6-171.8 -62.4 140.3 25.5 -15.4 58.0 206 241 A K E > -K 209 0D 94 3,-3.0 3,-1.9 1,-0.1 -1,-0.1 -0.895 66.0 -64.2-128.2 95.1 25.6 -13.9 54.6 207 242 A G T 3 S- 0 0 65 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.0 -0.414 121.0 -7.0 57.7-121.8 28.7 -11.8 54.7 208 243 A P T 3 S+ 0 0 75 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.490 126.9 66.9 -81.7 -3.1 28.1 -9.0 57.2 209 244 A Y E < S- K 0 206D 69 -3,-1.9 -3,-3.0 -35,-0.1 2,-0.5 -0.760 73.2-125.0-127.1 160.8 24.4 -9.8 57.9 210 245 A L E -JK 173 205D 0 -37,-2.3 -37,-3.1 -2,-0.2 2,-0.7 -0.926 17.5-140.5-113.1 117.6 22.3 -12.6 59.4 211 246 A Q E -J 172 0D 11 -7,-2.3 2,-0.6 -2,-0.5 -39,-0.2 -0.696 22.7-171.1 -80.4 115.6 19.5 -14.2 57.4 212 247 A L E -J 171 0D 0 -41,-3.3 -41,-2.5 -2,-0.7 2,-0.1 -0.925 6.0-163.1-112.7 113.2 16.6 -14.8 59.7 213 248 A D > - 0 0 52 -2,-0.6 4,-2.5 -43,-0.2 5,-0.2 -0.308 43.4 -93.5 -80.0 174.0 13.6 -16.9 58.6 214 249 A T H > S+ 0 0 22 -45,-0.3 4,-2.3 1,-0.2 5,-0.2 0.860 124.5 57.6 -65.8 -31.8 10.3 -16.7 60.5 215 250 A E H > S+ 0 0 118 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.938 112.0 42.1 -58.8 -45.2 11.1 -19.7 62.7 216 251 A H H > S+ 0 0 42 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.869 112.3 53.0 -74.4 -32.4 14.3 -17.9 63.9 217 252 A L H X S+ 0 0 1 -4,-2.5 4,-3.2 1,-0.2 -1,-0.2 0.899 108.2 52.8 -62.8 -37.4 12.6 -14.6 64.2 218 253 A A H < S+ 0 0 34 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.874 109.6 47.8 -66.6 -40.7 10.0 -16.3 66.4 219 254 A D H < S+ 0 0 145 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.905 116.2 43.0 -66.0 -41.7 12.7 -17.7 68.7 220 255 A L H < S- 0 0 37 -4,-2.2 -2,-0.2 -5,-0.1 -1,-0.2 0.929 82.7-179.9 -66.9 -46.8 14.5 -14.4 69.0 221 256 A N < - 0 0 65 -4,-3.2 -3,-0.1 -5,-0.2 -4,-0.1 0.887 13.4-160.2 45.2 59.8 11.1 -12.5 69.4 222 257 A P - 0 0 5 0, 0.0 31,-0.7 0, 0.0 -1,-0.1 -0.346 20.2-131.9 -66.7 146.2 12.6 -9.0 69.8 223 258 A E S S+ 0 0 68 -63,-0.2 2,-0.3 1,-0.1 -62,-0.2 0.773 89.3 28.1 -68.0 -23.7 10.3 -6.4 71.4 224 259 A R E -h 161 0D 11 -64,-2.0 -62,-2.2 2,-0.0 2,-0.4 -0.996 64.2-165.7-140.4 143.2 11.0 -3.9 68.6 225 260 A X E -hl 162 259D 1 33,-2.6 35,-2.3 -2,-0.3 2,-0.5 -0.985 7.3-164.5-129.1 142.5 11.9 -4.0 64.9 226 261 A I E -hl 163 260D 3 -64,-2.3 -62,-2.2 -2,-0.4 2,-0.6 -0.987 15.0-166.4-121.0 112.5 13.2 -1.3 62.6 227 262 A I E -hl 164 261D 0 33,-2.6 35,-2.5 -2,-0.5 2,-0.6 -0.917 7.2-151.5-110.3 118.3 12.8 -2.5 59.0 228 263 A X E + l 0 262D 1 -64,-2.8 -62,-0.5 -2,-0.6 2,-0.3 -0.811 25.4 165.2 -94.9 118.5 14.7 -0.4 56.4 229 264 A T E > - l 0 263D 16 33,-2.6 35,-2.5 -2,-0.6 3,-2.2 -0.926 46.3 -85.0-133.0 155.0 13.1 -0.4 52.9 230 265 A D G > S- 0 0 69 -2,-0.3 3,-1.5 1,-0.3 33,-0.1 -0.395 116.1 -2.8 -57.7 128.3 13.5 1.6 49.7 231 266 A H G 3 S- 0 0 134 1,-0.3 -1,-0.3 -2,-0.1 32,-0.2 0.612 115.7 -85.6 62.8 14.5 11.3 4.8 50.1 232 267 A A G < S+ 0 0 42 -3,-2.2 2,-0.3 30,-0.4 -1,-0.3 0.848 83.2 156.6 54.0 38.3 10.1 3.5 53.5 233 268 A K < - 0 0 128 -3,-1.5 -1,-0.2 29,-0.1 3,-0.1 -0.678 32.1-171.1 -92.5 147.3 7.4 1.5 51.7 234 269 A K + 0 0 127 -2,-0.3 -1,-0.1 -3,-0.1 -3,-0.0 0.247 68.2 82.1-122.0 15.3 5.8 -1.6 53.3 235 270 A D + 0 0 103 4,-0.1 -1,-0.1 5,-0.0 -2,-0.0 0.150 53.6 132.8-113.9 19.6 3.8 -3.0 50.4 236 271 A S > - 0 0 40 -3,-0.1 4,-2.6 1,-0.1 5,-0.2 -0.314 66.8-117.5 -63.6 151.6 6.5 -4.9 48.4 237 272 A A H > S+ 0 0 73 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.903 114.6 50.2 -56.4 -41.4 5.5 -8.4 47.4 238 273 A E H > S+ 0 0 115 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.941 112.1 44.7 -63.7 -51.0 8.3 -9.9 49.5 239 274 A F H > S+ 0 0 5 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.884 111.3 54.7 -67.9 -33.7 7.4 -8.0 52.6 240 275 A K H X S+ 0 0 79 -4,-2.6 4,-0.9 1,-0.2 3,-0.2 0.909 107.7 48.9 -65.1 -36.8 3.7 -8.8 52.2 241 276 A K H >X S+ 0 0 146 -4,-2.0 3,-0.9 1,-0.2 4,-0.7 0.927 105.2 59.1 -67.7 -40.7 4.3 -12.6 52.0 242 277 A L H >< S+ 0 0 5 -4,-2.0 3,-0.6 1,-0.3 6,-0.3 0.864 105.8 50.1 -53.9 -34.7 6.4 -12.4 55.1 243 278 A Q H 3< S+ 0 0 53 -4,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.696 97.8 62.7 -83.2 -20.8 3.4 -11.0 57.0 244 279 A E H << S+ 0 0 131 -3,-0.9 -1,-0.2 -4,-0.9 -2,-0.2 0.574 81.2 113.9 -75.3 -9.1 0.9 -13.6 55.9 245 280 A D S S+ 0 0 68 1,-0.2 4,-0.6 2,-0.2 -1,-0.1 0.857 102.9 51.3 -60.4 -36.6 1.4 -17.4 60.8 247 282 A T H >> S+ 0 0 45 1,-0.2 3,-1.0 2,-0.2 4,-0.5 0.907 104.5 56.2 -72.0 -40.8 4.6 -17.1 62.9 248 283 A W H >4 S+ 0 0 7 -6,-0.3 3,-1.6 1,-0.2 6,-0.2 0.917 103.3 55.7 -54.2 -42.9 5.1 -13.4 61.9 249 284 A K H 3< S+ 0 0 125 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.730 104.5 53.0 -66.7 -22.2 1.7 -12.6 63.3 250 285 A K H << S+ 0 0 134 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.475 81.8 120.8 -90.6 -5.0 2.5 -14.0 66.7 251 286 A L S+ 0 0 43 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.883 107.4 51.3 -54.2 -44.3 5.8 -9.6 70.2 253 288 A A H 4>S+ 0 0 0 -31,-0.7 5,-3.0 1,-0.2 6,-0.2 0.860 113.6 44.7 -65.1 -37.6 6.9 -6.6 68.1 254 289 A V H >45S+ 0 0 48 -3,-0.3 3,-1.4 -6,-0.2 -2,-0.2 0.950 111.7 50.1 -71.8 -47.5 4.0 -7.1 65.6 255 290 A K H 3<5S+ 0 0 139 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.810 116.3 44.1 -60.4 -31.0 1.2 -7.7 68.2 256 291 A N T 3<5S- 0 0 79 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.2 0.170 112.4-109.1-109.1 18.2 2.3 -4.6 70.1 257 292 A N T < 5S+ 0 0 133 -3,-1.4 -3,-0.2 1,-0.1 -2,-0.1 0.940 77.3 128.3 59.0 48.6 2.8 -2.0 67.3 258 293 A R < + 0 0 41 -5,-3.0 -33,-2.6 -6,-0.1 2,-0.5 -0.084 37.0 102.1-126.8 35.0 6.6 -1.9 67.6 259 294 A V E -l 225 0D 29 -6,-0.2 2,-0.4 -35,-0.2 -33,-0.2 -0.979 49.2-176.2-114.9 117.0 7.6 -2.5 64.0 260 295 A D E -l 226 0D 20 -35,-2.3 -33,-2.6 -2,-0.5 2,-0.5 -0.972 17.1-146.7-119.5 134.4 8.6 0.7 62.2 261 296 A I E +l 227 0D 35 -2,-0.4 2,-0.2 -35,-0.2 -33,-0.2 -0.864 26.1 179.7-100.8 122.9 9.4 0.9 58.5 262 297 A V E -l 228 0D 1 -35,-2.5 -33,-2.6 -2,-0.5 2,-0.4 -0.758 36.4 -79.4-126.4 166.0 12.1 3.5 57.7 263 298 A D E > -l 229 0D 41 -2,-0.2 4,-2.7 -35,-0.2 5,-0.3 -0.531 29.4-156.1 -76.3 119.0 13.9 4.8 54.6 264 299 A R H >>S+ 0 0 76 -35,-2.5 4,-2.2 -2,-0.4 5,-1.7 0.818 91.7 57.8 -65.6 -32.7 16.8 2.5 53.5 265 300 A D H 4>S+ 0 0 17 -36,-0.3 5,-1.5 3,-0.2 -1,-0.2 0.935 114.7 37.3 -63.8 -42.7 18.7 5.3 51.8 266 301 A V H 45S+ 0 0 28 3,-0.2 5,-0.5 -3,-0.1 6,-0.2 0.945 126.5 35.2 -71.3 -48.6 18.9 7.4 55.0 267 302 A W H <5S+ 0 0 0 -4,-2.7 -3,-0.2 3,-0.1 -2,-0.2 0.837 132.0 18.9 -81.3 -38.3 19.4 4.5 57.4 268 303 A A T <5S+ 0 0 18 -4,-2.2 -3,-0.2 -5,-0.3 -2,-0.1 0.824 127.5 34.7-101.6 -44.2 21.6 2.0 55.5 269 304 A R T S- 0 0 6 -6,-0.2 4,-1.8 1,-0.1 -1,-0.2 -0.494 76.1-101.7-112.9-177.3 26.9 10.5 57.2 273 308 A L H > S+ 0 0 5 -245,-0.2 4,-1.9 2,-0.2 5,-0.1 0.927 120.9 44.4 -68.6 -48.7 26.6 13.1 59.9 274 309 A I H > S+ 0 0 38 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.928 113.4 50.0 -65.0 -44.9 23.3 14.5 58.5 275 310 A S H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.909 110.2 49.4 -65.7 -39.0 21.8 11.1 57.9 276 311 A S H X S+ 0 0 0 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.892 110.4 51.4 -66.8 -36.1 22.6 9.9 61.4 277 312 A E H X S+ 0 0 15 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.905 110.3 49.9 -60.8 -41.2 21.1 13.1 62.8 278 313 A E H X S+ 0 0 71 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.812 108.4 52.2 -67.2 -34.2 18.0 12.4 60.7 279 314 A X H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.924 111.9 46.2 -66.3 -45.1 17.7 8.7 62.0 280 315 A A H X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.921 111.7 50.4 -64.0 -43.8 17.9 10.0 65.6 281 316 A K H X S+ 0 0 78 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.878 108.7 53.5 -60.8 -41.7 15.3 12.7 65.0 282 317 A E H X S+ 0 0 51 -4,-1.8 4,-2.9 1,-0.2 5,-0.2 0.917 106.0 52.1 -61.4 -41.4 13.0 10.1 63.4 283 318 A L H X S+ 0 0 3 -4,-2.0 4,-2.3 1,-0.2 -129,-0.2 0.895 107.5 53.1 -62.7 -38.4 13.2 7.9 66.4 284 319 A V H X S+ 0 0 15 -4,-1.9 4,-1.1 2,-0.2 -130,-0.3 0.967 111.6 46.1 -56.7 -52.5 12.2 10.9 68.6 285 320 A E H >X S+ 0 0 108 -4,-2.2 3,-0.9 1,-0.2 4,-0.6 0.935 112.2 49.2 -59.2 -47.1 9.2 11.5 66.4 286 321 A L H >< S+ 0 0 31 -4,-2.9 3,-1.1 1,-0.2 -1,-0.2 0.909 109.3 53.8 -60.4 -36.9 8.2 7.8 66.4 287 322 A S H 3< S+ 0 0 13 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.700 107.2 51.5 -70.3 -20.6 8.5 7.7 70.2 288 323 A K H << S+ 0 0 98 -4,-1.1 -1,-0.2 -3,-0.9 -2,-0.2 0.411 81.3 120.8 -99.6 -0.5 6.2 10.6 70.7 289 324 A K << 0 0 106 -3,-1.1 -3,-0.0 -4,-0.6 0, 0.0 -0.197 360.0 360.0 -54.4 152.6 3.4 9.3 68.5 290 325 A E 0 0 247 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 -0.287 360.0 360.0 -48.4 360.0 0.0 8.8 70.3