==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 08-MAY-09 2WI8 . COMPND 2 MOLECULE: IRON-UPTAKE SYSTEM-BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR F.PEUCKERT,M.MIETHKE,A.G.ALBRECHT,L.-O.ESSEN,M.A.MARAHIEL . 283 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13599.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 199 70.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 9.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 7.1 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 . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 18 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 30.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.8 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 4 1 0 3 1 0 1 0 1 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 3 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 PARALLEL BRIDGES PER LADDER . 1 2 1 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 1 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 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 17 A S 0 0 111 0, 0.0 2,-0.3 0, 0.0 15,-0.1 0.000 360.0 360.0 360.0 125.6 49.5 2.4 85.2 2 18 A E E -A 17 0A 70 15,-1.7 15,-2.8 13,-0.1 2,-0.6 -0.791 360.0 -87.0-117.4 167.2 50.5 0.5 82.1 3 19 A K E -A 16 0A 120 -2,-0.3 2,-0.3 13,-0.3 13,-0.3 -0.713 53.9-169.7 -77.7 121.6 51.2 2.1 78.6 4 20 A K E -A 15 0A 36 11,-3.2 11,-2.5 -2,-0.6 2,-0.4 -0.858 23.9-116.7-115.7 147.2 47.8 2.2 76.9 5 21 A K E -A 14 0A 147 -2,-0.3 2,-0.5 9,-0.2 9,-0.2 -0.701 30.5-166.3 -82.5 130.2 46.9 3.0 73.3 6 22 A I E -A 13 0A 7 7,-2.7 7,-2.5 -2,-0.4 2,-0.6 -0.970 8.9-154.8-120.2 126.5 44.8 6.2 73.0 7 23 A E E +A 12 0A 111 -2,-0.5 2,-0.4 5,-0.2 5,-0.2 -0.925 20.9 171.2-100.0 125.5 42.9 7.1 69.8 8 24 A Y E > -A 11 0A 7 3,-3.0 3,-0.9 -2,-0.6 -2,-0.1 -0.940 67.0 -21.8-141.2 116.6 42.3 10.8 69.5 9 25 A L T 3 S- 0 0 60 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.908 126.4 -50.5 49.6 50.2 41.0 12.4 66.3 10 26 A D T 3 S+ 0 0 162 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.700 117.3 110.7 64.4 23.2 42.0 9.5 64.2 11 27 A K E < -A 8 0A 123 -3,-0.9 -3,-3.0 2,-0.0 2,-0.4 -0.986 62.0-132.4-125.5 143.9 45.6 9.5 65.5 12 28 A T E +A 7 0A 79 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.777 25.8 175.8 -96.7 132.6 47.2 6.8 67.7 13 29 A Y E -A 6 0A 34 -7,-2.5 -7,-2.7 -2,-0.4 2,-0.5 -0.891 21.8-143.2-130.9 158.0 49.2 7.7 70.9 14 30 A E E +A 5 0A 105 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.993 30.6 165.3-126.0 121.0 50.8 5.5 73.6 15 31 A V E -A 4 0A 0 -11,-2.5 -11,-3.2 -2,-0.5 2,-0.5 -0.996 44.6-108.0-139.5 142.3 50.6 6.9 77.1 16 32 A T E -A 3 0A 34 -2,-0.3 -13,-0.3 66,-0.3 66,-0.1 -0.597 58.1-128.1 -65.0 118.3 51.1 5.6 80.7 17 33 A V E S+A 2 0A 23 -15,-2.8 -15,-1.7 -2,-0.5 2,-0.1 -0.970 74.0 25.3-140.4 142.0 47.5 5.5 82.0 18 34 A P S S+ 0 0 66 0, 0.0 2,-0.3 0, 0.0 107,-0.3 0.648 87.0 162.0 -76.3 157.0 45.9 6.4 84.3 19 35 A T - 0 0 17 105,-2.2 3,-0.1 -2,-0.1 -2,-0.0 -0.986 46.2-169.2-144.3 153.4 48.1 9.4 85.2 20 36 A D S S+ 0 0 66 -2,-0.3 2,-2.1 1,-0.1 22,-0.8 0.452 74.0 96.6-109.9 -10.3 48.3 12.7 87.0 21 37 A K + 0 0 72 20,-0.2 61,-2.4 21,-0.1 62,-1.6 -0.401 54.1 140.1 -81.6 62.3 51.6 13.6 85.4 22 38 A I E -b 83 0B 0 -2,-2.1 21,-2.2 59,-0.2 20,-1.4 -0.912 37.6-161.8-110.6 128.9 49.9 15.7 82.7 23 39 A A E -bc 84 43B 0 60,-2.2 62,-2.5 -2,-0.5 2,-0.6 -0.966 9.0-156.4-110.9 122.7 51.4 19.0 81.6 24 40 A I E +b 85 0B 1 19,-2.5 2,-0.4 -2,-0.5 41,-0.2 -0.890 18.1 169.3-102.6 126.2 48.9 21.2 79.8 25 41 A T - 0 0 0 60,-2.9 2,-1.8 -2,-0.6 43,-0.1 -0.998 66.3 -10.3-134.3 138.1 50.3 23.8 77.3 26 42 A G S S+ 0 0 0 -2,-0.4 2,-1.6 41,-0.2 3,-0.2 -0.042 103.5 102.7 71.1 -38.8 48.4 26.0 74.9 27 43 A S > + 0 0 0 -2,-1.8 4,-1.1 58,-0.5 3,-0.3 -0.570 33.5 165.6 -85.8 88.1 45.2 24.0 75.3 28 44 A V H > S+ 0 0 0 -2,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.821 78.7 68.2 -66.0 -27.2 43.0 26.2 77.6 29 45 A E H > S+ 0 0 20 1,-0.2 4,-2.2 -3,-0.2 -1,-0.2 0.919 97.5 49.1 -51.8 -48.3 40.3 23.7 76.4 30 46 A S H > S+ 0 0 1 -3,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.782 106.2 56.5 -66.8 -29.5 42.0 20.9 78.3 31 47 A M H X S+ 0 0 0 -4,-1.1 4,-1.8 2,-0.2 -1,-0.2 0.879 109.1 46.0 -68.9 -34.6 42.1 23.1 81.5 32 48 A E H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.858 111.5 52.4 -75.0 -31.4 38.4 23.6 81.3 33 49 A D H X S+ 0 0 1 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.894 108.4 51.1 -63.5 -37.4 38.1 19.8 80.7 34 50 A A H X>S+ 0 0 0 -4,-2.2 5,-2.2 2,-0.2 4,-0.9 0.887 108.0 53.6 -66.0 -37.7 40.2 19.3 83.8 35 51 A K H ><5S+ 0 0 41 -4,-1.8 3,-0.6 1,-0.2 -2,-0.2 0.942 111.9 42.9 -62.7 -45.4 37.8 21.6 85.6 36 52 A L H 3<5S+ 0 0 24 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.855 119.7 42.2 -71.1 -34.6 34.8 19.5 84.6 37 53 A L H 3<5S- 0 0 0 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.429 107.4-120.3 -92.9 0.3 36.5 16.2 85.3 38 54 A D T <<5 + 0 0 89 -4,-0.9 2,-0.4 -3,-0.6 -3,-0.2 0.931 56.9 157.8 56.6 48.7 38.1 17.2 88.6 39 55 A V < - 0 0 8 -5,-2.2 -1,-0.2 -8,-0.1 -2,-0.1 -0.891 31.4-156.3-102.3 135.2 41.6 16.4 87.2 40 56 A H - 0 0 58 -2,-0.4 -18,-0.1 19,-0.1 19,-0.1 -0.835 17.5-157.2-116.4 90.3 44.6 18.2 88.9 41 57 A P - 0 0 1 0, 0.0 20,-0.3 0, 0.0 -20,-0.2 -0.183 21.6-130.6 -68.5 161.0 47.4 18.3 86.3 42 58 A Q S S+ 0 0 48 -20,-1.4 21,-2.3 -22,-0.8 2,-0.4 0.753 95.7 33.8 -78.9 -29.1 51.1 18.7 87.2 43 59 A G E +cd 23 63B 0 -21,-2.2 -19,-2.5 19,-0.3 2,-0.3 -0.993 69.9 170.1-132.1 136.8 51.5 21.5 84.6 44 60 A A E - d 0 64B 0 19,-2.1 21,-2.1 -2,-0.4 22,-0.4 -0.939 37.7 -87.5-141.5 167.2 49.1 24.1 83.6 45 61 A I E - 0 0 0 -2,-0.3 2,-0.3 19,-0.2 22,-0.2 -0.505 35.3-140.1 -79.1 133.4 48.9 27.3 81.5 46 62 A S E - d 0 67B 9 20,-2.2 22,-0.6 -2,-0.2 2,-0.6 -0.676 5.2-149.2 -89.4 148.8 49.8 30.6 83.2 47 63 A F B > S-G 50 0C 52 3,-3.8 3,-1.9 -2,-0.3 20,-0.1 -0.945 82.1 -25.9-120.1 106.4 47.8 33.8 82.4 48 64 A S T 3 S- 0 0 113 -2,-0.6 -1,-0.1 1,-0.3 3,-0.1 0.886 128.9 -50.0 51.1 40.8 49.9 36.9 82.6 49 65 A G T 3 S+ 0 0 62 1,-0.2 -1,-0.3 0, 0.0 2,-0.3 0.318 125.0 89.5 86.9 -7.2 52.1 34.9 85.1 50 66 A K B < S-G 47 0C 157 -3,-1.9 -3,-3.8 14,-0.0 -1,-0.2 -0.745 76.5-120.5-117.4 163.1 49.1 33.8 87.2 51 67 A F - 0 0 39 -2,-0.3 -5,-0.1 -5,-0.2 5,-0.1 -0.939 45.7-119.0 -94.9 118.2 46.6 31.0 87.5 52 68 A P > - 0 0 14 0, 0.0 3,-2.2 0, 0.0 4,-0.5 -0.176 18.9-113.4 -54.4 151.5 43.2 32.7 87.1 53 69 A D G > S+ 0 0 137 1,-0.3 3,-1.0 2,-0.2 4,-0.4 0.833 117.5 61.7 -57.1 -34.1 40.8 32.3 90.1 54 70 A M G 3 S+ 0 0 13 1,-0.2 -1,-0.3 2,-0.1 4,-0.1 0.614 110.1 40.5 -67.6 -11.3 38.5 30.2 87.8 55 71 A F G X> S+ 0 0 2 -3,-2.2 4,-1.2 2,-0.1 3,-0.8 0.337 83.6 96.3-114.8 0.6 41.3 27.7 87.5 56 72 A K T <4 S+ 0 0 102 -3,-1.0 4,-0.3 -4,-0.5 -2,-0.1 0.780 75.7 67.9 -66.0 -19.5 42.6 27.6 91.0 57 73 A D T 34 S+ 0 0 66 -4,-0.4 3,-0.3 1,-0.2 -1,-0.2 0.889 113.1 27.4 -65.5 -37.6 40.5 24.6 91.6 58 74 A I T <4 S+ 0 0 1 -3,-0.8 3,-0.3 1,-0.2 -1,-0.2 0.452 112.5 64.2-108.3 1.9 42.6 22.4 89.3 59 75 A T >< + 0 0 10 -4,-1.2 3,-1.5 1,-0.2 -1,-0.2 0.242 67.2 108.4 -99.9 12.5 46.0 24.1 89.5 60 76 A D T 3 S+ 0 0 99 -4,-0.3 -1,-0.2 -3,-0.3 -2,-0.1 0.700 92.9 28.8 -64.4 -20.2 46.4 23.3 93.2 61 77 A K T 3 S+ 0 0 168 -20,-0.3 -1,-0.3 -3,-0.3 2,-0.3 0.138 107.3 106.7-119.4 15.8 49.1 20.7 92.4 62 78 A A < - 0 0 14 -3,-1.5 -19,-0.3 -19,-0.1 -20,-0.2 -0.678 50.0-159.9-103.8 149.7 50.3 22.4 89.2 63 79 A E E -d 43 0B 133 -21,-2.3 -19,-2.1 -2,-0.3 -2,-0.1 -0.854 43.1 -89.0-112.7 154.9 53.3 24.4 88.2 64 80 A P E -d 44 0B 36 0, 0.0 -19,-0.2 0, 0.0 3,-0.1 -0.343 24.9-165.5 -68.1 145.9 53.2 26.7 85.1 65 81 A T E - 0 0 0 -21,-2.1 7,-3.5 1,-0.6 11,-0.2 0.265 60.7 -86.6-104.4 6.1 54.0 25.4 81.6 66 82 A G E - E 0 71B 7 -22,-0.4 -20,-2.2 5,-0.2 -1,-0.6 -0.474 65.8 -41.4 110.8 174.9 54.3 29.0 80.3 67 83 A E E > S-dE 46 70B 56 3,-0.6 3,-2.0 -22,-0.2 -41,-0.2 -0.280 72.9 -90.7 -69.0 168.7 51.8 31.4 78.8 68 84 A K T 3 S+ 0 0 73 -22,-0.6 -42,-0.2 1,-0.3 -1,-0.1 0.875 124.0 25.5 -54.3 -54.4 49.1 29.9 76.5 69 85 A M T 3 S+ 0 0 93 1,-0.2 -1,-0.3 -44,-0.1 -2,-0.1 -0.065 115.0 68.1-105.9 32.2 51.0 30.4 73.2 70 86 A E E < S-E 67 0B 143 -3,-2.0 -3,-0.6 2,-0.0 -1,-0.2 -0.488 72.0-160.9-142.8 71.2 54.6 30.4 74.7 71 87 A P E -E 66 0B 26 0, 0.0 2,-1.0 0, 0.0 -5,-0.2 -0.258 14.3-138.3 -51.2 130.2 55.3 26.9 75.9 72 88 A N > - 0 0 49 -7,-3.5 4,-2.5 1,-0.2 5,-0.2 -0.823 19.2-173.0 -93.1 95.1 58.1 26.9 78.4 73 89 A I H > S+ 0 0 32 -2,-1.0 4,-3.1 1,-0.2 5,-0.2 0.856 82.4 55.6 -61.0 -36.2 60.1 23.9 77.3 74 90 A E H > S+ 0 0 161 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.954 110.7 45.0 -60.0 -47.7 62.4 24.1 80.3 75 91 A K H > S+ 0 0 88 2,-0.2 4,-1.0 1,-0.2 -2,-0.2 0.899 115.3 47.9 -60.6 -42.7 59.5 24.1 82.7 76 92 A I H >X S+ 0 0 0 -4,-2.5 3,-0.8 -11,-0.2 4,-0.7 0.939 110.3 51.0 -66.3 -46.4 57.8 21.2 80.9 77 93 A L H >< S+ 0 0 80 -4,-3.1 3,-1.1 1,-0.2 -1,-0.2 0.888 105.3 57.5 -56.4 -41.1 61.0 19.2 80.7 78 94 A E H 3< S+ 0 0 81 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.798 101.3 56.8 -62.8 -28.3 61.5 19.6 84.5 79 95 A M H << S- 0 0 16 -4,-1.0 -1,-0.3 -3,-0.8 -2,-0.2 0.689 90.5-148.7 -75.8 -19.9 58.1 18.0 85.2 80 96 A K << - 0 0 146 -3,-1.1 -3,-0.1 -4,-0.7 -2,-0.1 0.930 27.5-161.1 45.2 57.1 59.0 14.8 83.3 81 97 A P - 0 0 10 0, 0.0 22,-0.3 0, 0.0 -59,-0.2 -0.231 28.1-139.5 -69.2 151.2 55.3 14.4 82.3 82 98 A D S S+ 0 0 45 -61,-2.4 -66,-0.3 1,-0.3 2,-0.3 0.786 91.8 7.7 -73.4 -30.8 53.7 11.2 81.2 83 99 A V E -b 22 0B 0 -62,-1.6 -60,-2.2 19,-0.1 2,-0.6 -0.988 64.5-147.8-152.6 142.1 51.8 13.2 78.6 84 100 A I E -bf 23 104B 0 19,-3.1 21,-3.1 -2,-0.3 2,-0.9 -0.972 9.7-154.1-110.9 120.4 51.8 16.7 77.4 85 101 A L E +bf 24 105B 0 -62,-2.5 -60,-2.9 -2,-0.6 -58,-0.5 -0.854 29.9 164.8 -89.9 104.3 48.5 18.1 76.2 86 102 A A E - f 0 106B 0 19,-2.1 21,-2.9 -2,-0.9 2,-0.3 -0.251 31.3 -99.9-102.7-166.0 49.5 20.8 73.7 87 103 A S E > - f 0 107B 0 19,-0.3 3,-1.7 -2,-0.1 21,-0.2 -0.920 8.5-131.1-126.4 153.4 47.2 22.4 71.1 88 104 A T T 3 S+ 0 0 58 19,-2.2 20,-0.1 -2,-0.3 -1,-0.1 0.574 106.0 75.3 -67.9 -8.9 46.4 22.3 67.4 89 105 A K T 3 S+ 0 0 60 18,-0.3 -1,-0.3 2,-0.1 19,-0.1 0.660 79.4 90.3 -73.8 -18.8 47.0 26.0 67.6 90 106 A F S < S- 0 0 10 -3,-1.7 -4,-0.0 1,-0.1 5,-0.0 -0.614 84.9-115.1 -79.9 137.0 50.7 25.3 67.7 91 107 A P >> - 0 0 80 0, 0.0 4,-2.5 0, 0.0 3,-0.5 -0.289 30.6-106.2 -62.6 158.6 52.7 25.1 64.5 92 108 A E H 3> S+ 0 0 122 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.877 120.2 56.4 -55.5 -42.0 54.2 21.8 63.6 93 109 A K H 3> S+ 0 0 73 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.881 109.7 46.0 -54.9 -43.7 57.7 23.1 64.5 94 110 A T H <> S+ 0 0 46 -3,-0.5 4,-2.8 2,-0.2 -2,-0.2 0.919 110.6 52.0 -68.5 -42.4 56.5 24.0 68.0 95 111 A L H X S+ 0 0 17 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.906 109.6 50.6 -62.2 -39.5 54.7 20.6 68.5 96 112 A Q H X S+ 0 0 121 -4,-2.6 4,-0.7 -5,-0.2 -1,-0.2 0.926 110.0 50.3 -61.0 -43.7 58.0 18.9 67.5 97 113 A K H >< S+ 0 0 118 -4,-1.9 3,-1.3 1,-0.2 4,-0.3 0.937 109.8 49.7 -59.3 -49.8 59.9 21.0 70.0 98 114 A I H >< S+ 0 0 0 -4,-2.8 3,-2.2 1,-0.2 4,-0.4 0.877 101.7 63.9 -57.6 -36.4 57.4 20.1 72.8 99 115 A S H >< S+ 0 0 62 -4,-1.9 3,-0.7 1,-0.3 -1,-0.2 0.697 87.0 69.7 -67.4 -15.6 57.7 16.4 72.0 100 116 A T T << S+ 0 0 101 -3,-1.3 -1,-0.3 -4,-0.7 -2,-0.2 0.686 100.3 51.2 -71.5 -14.1 61.3 16.4 73.0 101 117 A A T < S- 0 0 11 -3,-2.2 2,-0.2 1,-0.4 -1,-0.2 0.560 128.3 -49.6 -97.3 -13.3 60.0 16.9 76.5 102 118 A G S < S- 0 0 20 -3,-0.7 -1,-0.4 -4,-0.4 2,-0.2 -0.871 83.4 -37.6 159.2 170.0 57.5 14.0 76.5 103 119 A T - 0 0 48 -21,-0.3 -19,-3.1 -22,-0.3 2,-0.5 -0.401 64.4-156.7 -55.8 121.5 54.7 12.3 74.6 104 120 A T E -f 84 0B 19 -21,-0.2 -19,-0.2 -2,-0.2 -5,-0.1 -0.893 18.6-172.2-117.1 126.5 52.6 15.1 73.1 105 121 A I E -f 85 0B 0 -21,-3.1 -19,-2.1 -2,-0.5 2,-0.8 -0.969 21.2-139.4-114.7 117.8 49.0 15.2 72.0 106 122 A P E -f 86 0B 23 0, 0.0 2,-0.3 0, 0.0 -19,-0.3 -0.677 21.8-147.6 -76.9 108.7 47.8 18.3 70.2 107 123 A V E -f 87 0B 0 -21,-2.9 -19,-2.2 -2,-0.8 -18,-0.3 -0.605 18.7-114.4 -81.1 132.8 44.3 19.0 71.6 108 124 A S - 0 0 2 -2,-0.3 -1,-0.1 -21,-0.2 9,-0.0 -0.449 15.5-158.8 -68.9 139.3 41.9 20.5 69.1 109 125 A H + 0 0 87 -2,-0.2 2,-0.4 -80,-0.0 -1,-0.1 0.323 59.4 113.7 -95.5 5.7 40.6 24.0 69.8 110 126 A I > - 0 0 85 1,-0.1 3,-1.9 65,-0.1 65,-0.1 -0.679 65.7-140.7 -85.6 127.4 37.5 23.4 67.5 111 127 A S G > S+ 0 0 14 63,-0.4 3,-2.1 -2,-0.4 4,-0.2 0.814 97.6 67.3 -60.7 -33.0 34.3 23.4 69.5 112 128 A S G 3 S+ 0 0 91 1,-0.3 3,-0.4 62,-0.2 -1,-0.3 0.695 95.6 59.0 -64.1 -14.8 32.8 20.5 67.5 113 129 A N G <> S+ 0 0 32 -3,-1.9 4,-2.6 1,-0.2 -1,-0.3 0.181 70.2 116.4 -93.2 17.8 35.5 18.3 69.1 114 130 A W H <> S+ 0 0 17 -3,-2.1 4,-1.8 1,-0.2 151,-0.3 0.850 76.3 45.4 -58.4 -36.7 34.3 19.1 72.6 115 131 A K H > S+ 0 0 67 -3,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.914 112.4 50.6 -73.9 -43.3 33.3 15.5 73.4 116 132 A E H > S+ 0 0 85 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.874 109.8 51.9 -61.1 -38.6 36.5 14.0 71.9 117 133 A N H X S+ 0 0 7 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.924 112.0 44.6 -65.1 -42.8 38.6 16.5 74.0 118 134 A M H X S+ 0 0 0 -4,-1.8 4,-2.4 -5,-0.2 -2,-0.2 0.891 112.6 52.0 -71.1 -34.8 36.9 15.5 77.3 119 135 A M H X S+ 0 0 32 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.887 105.9 55.4 -67.7 -36.2 37.1 11.8 76.4 120 136 A L H X S+ 0 0 3 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.964 111.1 43.4 -57.1 -50.9 40.8 12.2 75.8 121 137 A L H X S+ 0 0 1 -4,-2.0 4,-1.2 1,-0.2 6,-0.2 0.918 113.3 52.6 -65.2 -37.4 41.3 13.6 79.2 122 138 A A H X>S+ 0 0 0 -4,-2.4 5,-2.3 1,-0.2 4,-0.9 0.904 108.5 50.8 -59.9 -44.0 39.0 11.0 80.7 123 139 A Q H <5S+ 0 0 55 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.816 109.4 50.3 -65.8 -32.5 41.0 8.2 79.1 124 140 A L H <5S+ 0 0 0 -4,-1.9 -105,-2.2 -5,-0.2 -1,-0.2 0.753 119.7 36.5 -72.8 -24.5 44.3 9.6 80.4 125 141 A T H <5S- 0 0 22 -4,-1.2 -2,-0.2 -3,-0.3 -1,-0.2 0.361 108.8-108.9-115.6 3.2 42.9 9.8 84.0 126 142 A G T <5S+ 0 0 40 -4,-0.9 3,-0.3 -3,-0.2 -3,-0.2 0.715 84.2 120.8 73.7 23.7 40.6 6.7 84.4 127 143 A K >< + 0 0 56 -5,-2.3 4,-2.5 -6,-0.2 -4,-0.2 0.005 20.0 121.9-113.2 30.1 37.5 8.9 84.3 128 144 A E H > S+ 0 0 51 -6,-0.5 4,-2.9 1,-0.2 5,-0.2 0.895 74.8 53.4 -54.0 -44.9 35.7 7.5 81.3 129 145 A K H > S+ 0 0 147 -3,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.925 111.7 45.5 -61.5 -45.5 32.5 6.7 83.4 130 146 A K H > S+ 0 0 92 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.922 114.3 47.8 -61.8 -49.3 32.3 10.3 84.7 131 147 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.901 110.8 51.3 -58.7 -43.5 33.0 11.8 81.3 132 148 A K H X S+ 0 0 109 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.879 110.7 49.0 -63.4 -38.3 30.4 9.6 79.6 133 149 A K H X S+ 0 0 126 -4,-2.0 4,-3.0 -5,-0.2 5,-0.2 0.902 110.1 51.2 -64.5 -41.7 27.8 10.6 82.3 134 150 A I H X S+ 0 0 27 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.924 113.0 45.2 -64.4 -42.7 28.5 14.3 81.8 135 151 A I H X S+ 0 0 24 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.931 114.0 49.3 -64.7 -45.3 28.1 13.9 78.0 136 152 A A H X S+ 0 0 55 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.909 112.1 48.4 -60.5 -43.4 24.9 11.9 78.5 137 153 A D H X S+ 0 0 63 -4,-3.0 4,-3.1 2,-0.2 -1,-0.2 0.872 110.3 51.8 -66.0 -39.1 23.5 14.5 80.9 138 154 A Y H X S+ 0 0 4 -4,-2.1 4,-2.7 -5,-0.2 -2,-0.2 0.942 110.1 48.0 -63.3 -47.7 24.3 17.3 78.6 139 155 A E H X S+ 0 0 80 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.929 116.1 44.8 -56.4 -44.5 22.5 15.6 75.7 140 156 A Q H X S+ 0 0 102 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.920 114.3 47.4 -66.9 -44.2 19.5 14.9 77.9 141 157 A D H X S+ 0 0 77 -4,-3.1 4,-2.8 1,-0.2 -1,-0.2 0.871 112.0 51.9 -66.7 -34.5 19.5 18.4 79.4 142 158 A L H X S+ 0 0 13 -4,-2.7 4,-2.4 -5,-0.2 -2,-0.2 0.932 110.4 46.4 -68.5 -44.5 19.9 19.9 75.9 143 159 A K H X S+ 0 0 49 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.940 115.2 48.1 -60.3 -44.3 16.9 17.9 74.6 144 160 A E H X S+ 0 0 73 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.920 111.1 49.7 -62.3 -47.6 14.8 18.9 77.6 145 161 A T H X S+ 0 0 12 -4,-2.8 4,-1.0 1,-0.2 -1,-0.2 0.908 109.5 51.8 -58.3 -43.9 15.8 22.6 77.4 146 162 A K H >< S+ 0 0 81 -4,-2.4 3,-0.5 1,-0.2 -1,-0.2 0.896 108.9 50.6 -64.1 -39.0 14.8 22.6 73.7 147 163 A T H 3< S+ 0 0 122 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.903 111.1 50.0 -58.2 -41.4 11.4 21.1 74.5 148 164 A K H 3< S+ 0 0 117 -4,-2.1 133,-2.1 -5,-0.1 2,-0.6 0.564 92.4 85.5 -78.8 -12.3 10.9 23.8 77.2 149 165 A I S << S- 0 0 11 -4,-1.0 131,-0.2 -3,-0.5 127,-0.0 -0.813 80.5-132.9 -91.1 125.0 11.8 26.7 74.9 150 166 A N > - 0 0 45 -2,-0.6 4,-2.5 129,-0.4 3,-0.3 -0.271 23.2-102.6 -80.0 169.2 8.7 27.8 73.0 151 167 A D H > S+ 0 0 125 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.852 120.2 57.7 -61.6 -33.3 8.6 28.4 69.3 152 168 A K H 4 S+ 0 0 160 2,-0.2 -1,-0.2 1,-0.2 4,-0.2 0.928 109.9 42.1 -59.9 -48.3 8.7 32.1 69.8 153 169 A A H >4 S+ 0 0 3 -3,-0.3 3,-1.3 1,-0.2 -2,-0.2 0.891 112.2 56.3 -64.4 -38.2 12.0 32.0 71.8 154 170 A K H 3< S+ 0 0 70 -4,-2.5 34,-0.4 1,-0.3 -1,-0.2 0.831 111.0 43.7 -60.3 -35.6 13.3 29.5 69.3 155 171 A D T 3< S+ 0 0 131 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.344 95.6 108.8 -91.0 5.8 12.6 32.0 66.5 156 172 A S S < S- 0 0 12 -3,-1.3 2,-0.8 -4,-0.2 32,-0.5 -0.268 76.7-106.4 -83.5 168.0 14.0 35.0 68.4 157 173 A K + 0 0 108 54,-0.2 57,-1.9 30,-0.1 56,-1.8 -0.848 41.9 178.2 -98.3 108.0 17.2 36.8 67.7 158 174 A A E -h 214 0D 2 -2,-0.8 2,-0.3 30,-0.4 57,-0.2 -0.875 3.4-174.9-112.7 146.9 19.9 36.0 70.3 159 175 A L E -h 215 0D 1 55,-2.0 57,-3.1 -2,-0.4 2,-0.5 -0.996 17.8-149.8-143.7 140.3 23.4 37.3 70.3 160 176 A V E +h 216 0D 0 -2,-0.3 2,-0.3 55,-0.2 11,-0.3 -0.962 21.6 178.5-108.9 120.7 26.6 36.8 72.4 161 177 A I E -h 217 0D 0 55,-3.0 57,-2.2 -2,-0.5 2,-0.4 -0.916 11.7-160.3-116.5 150.4 28.9 39.7 72.7 162 178 A R E -hI 218 169D 18 7,-2.0 7,-2.4 -2,-0.3 2,-0.5 -0.997 11.2-143.2-128.2 136.9 32.2 39.9 74.6 163 179 A I E +hI 219 168D 2 55,-2.7 57,-0.6 -2,-0.4 2,-0.4 -0.895 26.1 168.8-104.3 122.3 33.8 43.1 75.7 164 180 A R E > - I 0 167D 54 3,-2.2 3,-2.3 -2,-0.5 60,-0.2 -0.999 69.6 -6.4-138.7 129.8 37.6 43.2 75.6 165 181 A Q T 3 S- 0 0 106 58,-3.0 59,-0.2 -2,-0.4 -1,-0.1 0.835 129.7 -59.5 51.2 36.6 39.8 46.3 75.9 166 182 A G T 3 S+ 0 0 26 1,-0.2 2,-0.3 57,-0.2 -1,-0.3 0.480 113.9 114.7 75.8 2.9 36.6 48.3 75.9 167 183 A N E < -I 164 0D 69 -3,-2.3 -3,-2.2 36,-0.0 2,-0.5 -0.778 65.1-123.8-104.5 155.4 35.5 47.1 72.5 168 184 A I E -I 163 0D 19 34,-0.5 34,-2.4 -2,-0.3 2,-0.3 -0.838 31.8-172.8 -99.3 129.1 32.5 44.9 71.7 169 185 A Y E -IJ 162 201D 27 -7,-2.4 -7,-2.0 -2,-0.5 2,-0.3 -0.934 14.1-166.1-124.2 144.1 33.1 41.7 69.8 170 186 A I E - J 0 200D 5 30,-2.7 30,-2.9 -2,-0.3 -9,-0.1 -0.723 17.4-141.3-115.6 175.5 31.0 39.0 68.2 171 187 A Y - 0 0 6 -11,-0.3 25,-0.2 -2,-0.3 -11,-0.1 -0.868 25.1 -82.7-138.8 155.0 32.2 35.5 67.0 172 188 A P > - 0 0 14 0, 0.0 3,-1.8 0, 0.0 6,-0.2 -0.197 49.3-101.2 -58.0 162.1 31.6 33.1 64.2 173 189 A E T 3 S+ 0 0 74 20,-0.7 10,-0.3 23,-0.3 9,-0.3 0.775 121.0 38.8 -54.8 -35.8 28.7 30.8 64.3 174 190 A Q T 3 S+ 0 0 91 8,-0.1 -63,-0.4 5,-0.1 2,-0.3 0.193 104.3 87.3-102.4 15.8 30.7 27.7 65.5 175 191 A V S X S- 0 0 66 -3,-1.8 3,-1.4 -65,-0.1 4,-0.1 -0.856 86.9 -11.7-122.2 150.3 32.9 29.6 67.9 176 192 A Y T > S- 0 0 8 -2,-0.3 3,-0.9 1,-0.2 4,-0.2 -0.317 126.9 -22.4 65.1-141.3 32.7 30.6 71.6 177 193 A F T >> S+ 0 0 1 1,-0.2 4,-2.6 2,-0.1 3,-1.4 0.625 122.4 86.5 -80.2 -5.3 29.2 30.2 73.1 178 194 A N H <>>S+ 0 0 0 -3,-1.4 4,-2.5 1,-0.3 5,-1.4 0.799 77.3 64.3 -64.2 -26.6 27.6 30.3 69.6 179 195 A S H <45S+ 0 0 14 -3,-0.9 5,-0.5 3,-0.2 -1,-0.3 0.781 112.5 35.5 -69.6 -21.8 28.1 26.6 69.1 180 196 A T H <>>S+ 0 0 0 -3,-1.4 5,-3.1 -4,-0.2 4,-0.7 0.884 119.5 48.0 -89.4 -45.9 25.7 26.1 72.0 181 197 A L H <5S+ 0 0 0 -4,-2.6 6,-1.5 3,-0.2 -3,-0.2 0.920 134.0 10.9 -62.7 -49.4 23.3 29.0 71.3 182 198 A Y T X5S+ 0 0 7 -4,-2.5 4,-0.5 -9,-0.3 -3,-0.2 0.861 131.5 45.8 -97.6 -42.9 22.9 28.3 67.6 183 199 A G T 4> - 0 0 30 0, 0.0 4,-2.1 0, 0.0 3,-0.7 -0.343 27.1-106.3 -67.0 159.4 22.3 36.5 62.6 191 207 A N H 3> S+ 0 0 118 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.821 119.2 59.3 -56.1 -36.8 24.0 37.4 59.3 192 208 A E H 3> S+ 0 0 49 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.865 108.9 44.6 -60.9 -38.3 26.8 39.4 61.1 193 209 A V H <4 S+ 0 0 0 -3,-0.7 -20,-0.7 2,-0.2 3,-0.3 0.904 111.9 51.5 -73.7 -39.9 27.7 36.2 63.0 194 210 A K H < S+ 0 0 98 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.839 111.5 49.0 -64.6 -31.6 27.5 34.1 59.9 195 211 A A H < S+ 0 0 71 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.716 88.3 103.9 -79.8 -22.8 29.9 36.6 58.1 196 212 A A < - 0 0 12 -4,-1.0 -23,-0.3 -3,-0.3 3,-0.1 -0.368 45.7-174.3 -65.4 135.8 32.4 36.7 61.0 197 213 A K S S- 0 0 198 1,-0.3 2,-0.3 -25,-0.1 -1,-0.1 0.538 72.9 -15.6-103.6 -11.8 35.6 34.7 60.3 198 214 A A S S- 0 0 58 -28,-0.1 -1,-0.3 -23,-0.0 -28,-0.1 -0.900 114.4 -27.9-167.0-179.1 37.1 35.2 63.8 199 215 A Q S S- 0 0 71 -2,-0.3 2,-0.4 -28,-0.1 -28,-0.2 -0.259 73.0-167.3 -43.7 127.7 36.4 37.5 66.8 200 216 A E E -J 170 0D 100 -30,-2.9 -30,-2.7 -4,-0.1 -4,-0.1 -0.989 20.2-119.6-136.4 127.6 35.0 40.6 65.1 201 217 A L E -J 169 0D 102 -2,-0.4 2,-0.4 -32,-0.2 -32,-0.3 -0.376 27.9-166.3 -64.6 144.3 34.4 44.1 66.4 202 218 A I - 0 0 16 -34,-2.4 -34,-0.5 -2,-0.0 2,-0.2 -0.984 13.1-133.0-129.9 139.9 30.8 45.3 66.3 203 219 A S > - 0 0 45 -2,-0.4 4,-2.2 1,-0.1 5,-0.2 -0.560 23.4-116.7 -87.0 160.2 29.6 49.0 66.7 204 220 A L H > S+ 0 0 26 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.903 118.0 55.9 -60.7 -39.2 26.8 50.0 69.0 205 221 A E H > S+ 0 0 142 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.872 107.7 47.6 -62.0 -37.0 24.9 51.2 65.8 206 222 A K H > S+ 0 0 75 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.872 110.4 52.2 -70.8 -36.6 25.3 47.7 64.2 207 223 A L H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.902 109.6 50.3 -61.5 -40.4 24.0 46.1 67.5 208 224 A S H < S+ 0 0 39 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.871 108.8 50.8 -70.2 -35.3 21.1 48.5 67.4 209 225 A E H < S+ 0 0 132 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.902 112.1 47.0 -66.7 -40.3 20.3 47.5 63.8 210 226 A M H < S- 0 0 16 -4,-2.4 -2,-0.2 -5,-0.1 -1,-0.2 0.908 86.2-174.9 -60.5 -42.5 20.5 43.9 64.7 211 227 A N < - 0 0 53 -4,-2.6 -54,-0.2 -5,-0.2 -3,-0.1 0.907 15.5-155.5 42.6 61.0 18.2 44.7 67.7 212 228 A P - 0 0 2 0, 0.0 33,-0.7 0, 0.0 -54,-0.2 -0.190 21.4-135.9 -65.2 155.2 18.4 41.2 69.2 213 229 A D S S+ 0 0 24 -56,-1.8 2,-0.4 1,-0.2 -55,-0.2 0.823 94.1 26.2 -69.5 -33.6 15.7 39.8 71.5 214 230 A H E -h 158 0D 5 -57,-1.9 -55,-2.0 2,-0.0 2,-0.4 -0.998 66.8-170.0-136.2 132.3 18.4 38.4 73.8 215 231 A I E -hk 159 251D 0 35,-2.3 37,-2.9 -2,-0.4 2,-0.5 -0.979 7.4-161.9-128.4 120.5 21.9 39.5 74.4 216 232 A F E -hk 160 252D 1 -57,-3.1 -55,-3.0 -2,-0.4 2,-0.5 -0.888 17.0-166.1 -92.8 125.1 24.5 37.6 76.4 217 233 A V E -hk 161 253D 0 35,-2.7 37,-3.2 -2,-0.5 2,-0.5 -0.969 6.6-164.6-118.3 125.4 27.3 39.9 77.4 218 234 A Q E +h 162 0D 3 -57,-2.2 -55,-2.7 -2,-0.5 2,-0.4 -0.954 14.0 169.5-112.0 128.3 30.6 38.6 78.7 219 235 A F E -h 163 0D 16 -2,-0.5 2,-0.5 -57,-0.2 40,-0.1 -0.946 12.0-171.5-141.8 115.7 32.9 41.1 80.5 220 236 A S > - 0 0 6 -57,-0.6 3,-1.7 -2,-0.4 4,-0.2 -0.930 20.7-147.5-105.3 130.4 36.0 40.2 82.5 221 237 A D G > S+ 0 0 105 -2,-0.5 3,-1.7 1,-0.3 4,-0.3 0.864 100.8 64.0 -57.9 -34.7 37.7 43.0 84.4 222 238 A D G 3 S+ 0 0 130 1,-0.3 -1,-0.3 2,-0.2 3,-0.1 0.622 105.6 44.3 -63.8 -16.1 41.0 41.1 83.7 223 239 A E G < S+ 0 0 35 -3,-1.7 -58,-3.0 -60,-0.1 -1,-0.3 0.260 116.6 45.2-113.2 9.9 40.4 41.8 79.9 224 240 A N X + 0 0 1 -3,-1.7 3,-3.5 -60,-0.2 6,-0.2 0.143 66.6 137.8-134.1 16.3 39.4 45.4 80.4 225 241 A A T 3 S+ 0 0 89 1,-0.3 -3,-0.1 -4,-0.3 -2,-0.1 0.696 79.9 40.4 -41.4 -35.9 42.1 46.7 82.9 226 242 A D T 3 S+ 0 0 86 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.538 123.6 40.2 -91.5 -10.5 42.6 50.0 81.0 227 243 A K X + 0 0 115 -3,-3.5 3,-2.2 -6,-0.2 4,-0.3 -0.403 65.0 153.5-132.5 55.4 38.8 50.5 80.3 228 244 A P T 3 S+ 0 0 70 0, 0.0 3,-0.3 0, 0.0 4,-0.3 0.745 75.2 50.4 -67.2 -18.6 37.1 49.3 83.5 229 245 A D T 3> S+ 0 0 104 1,-0.2 4,-2.7 2,-0.1 5,-0.2 0.241 77.7 107.7 -97.4 9.2 34.1 51.5 82.9 230 246 A A H <> S+ 0 0 18 -3,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.897 81.5 43.9 -59.2 -39.8 33.5 50.4 79.3 231 247 A L H > S+ 0 0 22 -3,-0.3 4,-3.0 -4,-0.3 -1,-0.2 0.927 114.0 48.8 -72.4 -43.0 30.4 48.3 80.1 232 248 A K H > S+ 0 0 105 -4,-0.3 4,-1.6 1,-0.2 -2,-0.2 0.897 110.7 51.7 -64.5 -36.7 28.8 51.0 82.3 233 249 A D H X S+ 0 0 96 -4,-2.7 4,-0.5 2,-0.2 -1,-0.2 0.876 112.1 47.3 -65.4 -35.7 29.5 53.6 79.6 234 250 A L H >< S+ 0 0 18 -4,-1.7 3,-1.7 -5,-0.2 6,-0.3 0.958 109.7 52.1 -65.8 -48.5 27.8 51.3 77.1 235 251 A E H 3< S+ 0 0 48 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.778 109.3 50.9 -62.4 -26.4 24.9 50.7 79.5 236 252 A K H 3< S+ 0 0 126 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.609 83.9 111.3 -83.0 -11.8 24.4 54.5 79.9 237 253 A N S S+ 0 0 95 0, 0.0 4,-1.3 0, 0.0 -1,-0.1 0.831 105.7 55.2 -54.2 -32.3 20.9 56.2 74.9 239 255 A I H 4 S+ 0 0 77 2,-0.2 4,-0.3 1,-0.2 3,-0.1 0.890 108.7 47.4 -70.7 -38.3 21.2 53.9 71.9 240 256 A W H >4 S+ 0 0 11 -3,-0.5 3,-2.0 -6,-0.3 6,-0.3 0.950 109.2 54.2 -61.1 -46.8 21.9 51.0 74.2 241 257 A K H 3< S+ 0 0 124 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.786 104.0 56.3 -59.1 -26.6 18.9 52.0 76.3 242 258 A S T 3< S+ 0 0 51 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.507 81.2 116.2 -82.5 -8.9 16.7 51.9 73.2 243 259 A L S <> S- 0 0 1 -3,-2.0 4,-2.6 -4,-0.3 3,-0.3 -0.405 70.7-132.2 -64.1 139.2 17.6 48.3 72.4 244 260 A K H > S+ 0 0 73 1,-0.2 4,-2.2 2,-0.2 6,-0.2 0.890 107.9 55.0 -56.6 -44.1 14.7 45.9 72.6 245 261 A A H 4>S+ 0 0 0 -33,-0.7 5,-3.7 2,-0.2 6,-0.2 0.884 110.4 45.9 -58.7 -38.6 16.8 43.5 74.7 246 262 A V H >45S+ 0 0 33 -6,-0.3 3,-1.4 -3,-0.3 -2,-0.2 0.944 113.0 49.2 -68.2 -47.5 17.5 46.3 77.2 247 263 A K H 3<5S+ 0 0 150 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.795 114.6 45.3 -60.4 -31.7 13.8 47.4 77.3 248 264 A E T 3<5S- 0 0 104 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.315 112.9-116.8 -97.3 5.5 12.6 43.8 77.8 249 265 A D T < 5S+ 0 0 138 -3,-1.4 -3,-0.2 -5,-0.1 -2,-0.1 0.906 74.0 134.2 58.0 43.8 15.3 43.1 80.5 250 266 A H < + 0 0 44 -5,-3.7 -35,-2.3 -6,-0.2 2,-0.5 -0.156 28.2 110.0-116.3 33.2 16.8 40.4 78.2 251 267 A V E -k 215 0D 35 -6,-0.2 2,-0.6 -37,-0.2 -35,-0.2 -0.967 48.7-165.9-108.9 127.9 20.4 41.3 78.6 252 268 A Y E > -k 216 0D 18 -37,-2.9 -35,-2.7 -2,-0.5 3,-0.5 -0.920 2.4-165.1-122.3 102.0 22.4 38.7 80.6 253 269 A V E 3 S-k 217 0D 53 -2,-0.6 -35,-0.2 1,-0.2 -37,-0.0 -0.753 72.2 -9.6 -90.9 129.0 25.8 39.9 81.7 254 270 A N T 3 S+ 0 0 63 -37,-3.2 -1,-0.2 -2,-0.5 -36,-0.1 0.887 70.9 158.9 50.1 49.5 28.2 37.3 82.9 255 271 A S S < S+ 0 0 40 -3,-0.5 2,-0.3 -38,-0.3 -1,-0.1 0.747 77.6 32.1 -64.9 -26.2 25.7 34.4 82.9 256 272 A V S S- 0 0 7 4,-0.1 -1,-0.0 18,-0.0 11,-0.0 -0.932 118.8 -74.8-125.6 152.8 28.9 32.2 82.7 257 273 A D > - 0 0 63 -2,-0.3 3,-2.2 1,-0.2 -2,-0.1 -0.183 47.5-128.7 -48.9 128.5 32.3 33.1 84.3 258 274 A P T 3 S+ 0 0 25 0, 0.0 -38,-0.2 0, 0.0 -1,-0.2 0.655 104.4 58.9 -66.6 -11.5 33.6 35.8 81.9 259 275 A L T 3 S+ 0 0 31 -40,-0.1 -2,-0.1 3,-0.0 -39,-0.0 0.480 78.7 127.7 -88.0 -3.4 37.0 34.0 81.4 260 276 A A < - 0 0 0 -3,-2.2 -4,-0.1 1,-0.1 -206,-0.0 -0.229 63.1-134.8 -56.5 140.1 35.2 30.9 80.1 261 277 A Q - 0 0 44 -233,-0.1 2,-0.2 1,-0.1 -85,-0.2 0.803 29.1-143.7 -67.3 -34.8 36.4 29.7 76.7 262 278 A G S S+ 0 0 0 -86,-0.1 -82,-0.2 -85,-0.1 -1,-0.1 -0.208 80.8 58.3 106.0 -40.9 32.9 29.2 75.4 263 279 A G S S+ 0 0 11 -2,-0.2 -149,-0.2 -154,-0.1 2,-0.1 0.438 81.2 97.2-109.6 -0.2 33.1 26.1 73.3 264 280 A T S > S- 0 0 8 1,-0.1 4,-3.0 -151,-0.0 5,-0.3 -0.363 87.6-101.2 -81.2 166.5 34.4 23.4 75.7 265 281 A A H > S+ 0 0 0 -151,-0.3 4,-2.4 1,-0.2 5,-0.2 0.903 123.0 48.3 -52.5 -45.4 32.4 20.9 77.6 266 282 A W H > S+ 0 0 18 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.938 113.9 45.7 -65.8 -49.1 32.5 23.0 80.8 267 283 A S H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.879 113.4 49.8 -59.4 -40.5 31.6 26.2 79.0 268 284 A K H X S+ 0 0 3 -4,-3.0 4,-2.6 2,-0.2 -2,-0.2 0.896 109.8 50.8 -66.3 -41.3 28.7 24.4 77.2 269 285 A V H X S+ 0 0 33 -4,-2.4 4,-1.8 -5,-0.3 -2,-0.2 0.936 114.9 43.0 -62.4 -45.4 27.4 22.9 80.3 270 286 A R H X S+ 0 0 107 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.892 114.8 49.1 -69.5 -40.6 27.4 26.3 82.1 271 287 A F H X S+ 0 0 1 -4,-2.7 4,-3.5 2,-0.2 5,-0.3 0.887 108.5 54.0 -65.7 -38.8 25.9 28.1 79.1 272 288 A L H X S+ 0 0 4 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.924 108.9 49.0 -60.3 -44.0 23.2 25.6 78.7 273 289 A K H X S+ 0 0 64 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.908 115.3 44.7 -61.2 -45.3 22.2 26.1 82.3 274 290 A A H X S+ 0 0 15 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.937 114.1 47.1 -63.6 -49.0 22.2 29.8 81.8 275 291 A A H X S+ 0 0 0 -4,-3.5 4,-3.3 1,-0.2 5,-0.3 0.892 109.0 56.7 -62.9 -40.1 20.3 29.8 78.5 276 292 A A H X S+ 0 0 21 -4,-2.5 4,-1.5 -5,-0.3 -1,-0.2 0.943 109.0 46.2 -52.2 -51.2 17.8 27.4 80.0 277 293 A E H < S+ 0 0 57 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.839 121.1 36.9 -64.3 -37.1 17.0 29.9 82.8 278 294 A K H < S+ 0 0 80 -4,-1.9 -1,-0.2 1,-0.1 -2,-0.2 0.830 123.0 36.3 -86.7 -35.2 16.7 32.9 80.4 279 295 A L H < S+ 0 0 0 -4,-3.3 -129,-0.4 -5,-0.2 -3,-0.2 0.540 86.1 107.6-101.8 -8.2 15.1 31.4 77.3 280 296 A T S >< S- 0 0 25 -4,-1.5 3,-2.0 -5,-0.3 -131,-0.2 -0.396 82.4-105.8 -77.7 156.9 12.6 28.9 78.7 281 297 A Q T 3 S+ 0 0 114 -133,-2.1 -1,-0.1 1,-0.3 -132,-0.1 0.768 119.9 56.7 -59.7 -37.5 8.9 29.8 78.6 282 298 A N T 3 0 0 171 -134,-0.2 -1,-0.3 1,-0.2 -5,-0.1 0.836 360.0 360.0 -56.1 -29.2 8.4 30.5 82.3 283 299 A K < 0 0 106 -3,-2.0 -1,-0.2 -7,-0.2 -2,-0.1 -0.052 360.0 360.0 77.2 360.0 11.3 33.0 81.5