==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL TRANSPORT 03-MAR-01 1I6Q . COMPND 2 MOLECULE: LACTOFERRIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CAMELUS DROMEDARIUS; . AUTHOR J.A.KHAN,P.KUMAR,A.SRINIVASAN,T.P.SINGH . 689 1 17 17 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30137.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 438 63.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 4.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 69 10.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 3 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 . 48 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 75 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 162 23.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.7 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 3 0 1 4 3 0 1 0 1 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 1 1 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 PARALLEL BRIDGES PER LADDER . 1 2 6 2 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 2 3 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 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 1 A A 0 0 161 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -95.5 4.2 -16.4 36.3 2 2 A S + 0 0 71 2,-0.0 2,-0.1 5,-0.0 5,-0.0 -0.954 360.0 164.5-124.3 122.5 7.9 -16.9 35.4 3 3 A K - 0 0 123 -2,-0.5 0, 0.0 3,-0.0 0, 0.0 -0.099 54.9 -68.2-106.5-154.4 9.9 -20.2 35.3 4 4 A K S S+ 0 0 119 -2,-0.1 29,-0.1 2,-0.1 -2,-0.0 0.479 99.8 88.4 -79.0 -9.7 13.3 -21.5 33.9 5 5 A S S S- 0 0 2 27,-0.1 2,-0.4 1,-0.1 29,-0.2 0.031 83.6 -98.1 -78.7-166.6 12.3 -21.2 30.2 6 6 A V E -a 34 0A 0 27,-1.4 29,-1.8 260,-0.1 2,-0.7 -0.951 27.7-138.5-118.6 129.5 12.6 -18.4 27.7 7 7 A R E -a 35 0A 40 -2,-0.4 48,-2.8 27,-0.2 49,-2.0 -0.858 19.7-156.0 -91.9 105.3 9.5 -16.2 27.1 8 8 A W E -ab 36 56A 0 27,-2.4 29,-2.3 -2,-0.7 2,-0.7 -0.466 13.9-126.3 -77.3 156.9 9.2 -15.4 23.3 9 9 A a E -a 37 0A 0 47,-1.1 2,-0.2 27,-0.2 29,-0.2 -0.803 24.2-171.5-117.3 96.1 7.4 -12.3 22.1 10 10 A T E -a 38 0A 0 27,-0.9 29,-2.8 -2,-0.7 31,-0.1 -0.585 9.2-172.0 -84.0 142.5 4.6 -13.1 19.6 11 11 A T S S+ 0 0 26 -2,-0.2 -1,-0.1 27,-0.2 27,-0.1 0.468 70.5 44.9-110.3 -16.7 2.8 -9.9 17.8 12 12 A S S > S- 0 0 39 1,-0.1 4,-4.6 29,-0.0 5,-0.2 -0.942 80.3-122.9-128.5 153.9 0.1 -11.8 16.0 13 13 A P H > S+ 0 0 110 0, 0.0 4,-2.2 0, 0.0 -1,-0.1 0.838 122.2 49.2 -57.0 -37.7 -2.3 -14.6 17.0 14 14 A A H > S+ 0 0 9 2,-0.2 4,-2.1 3,-0.2 5,-0.2 0.848 110.4 50.5 -70.2 -36.2 -0.9 -16.5 14.1 15 15 A E H >> S+ 0 0 3 2,-0.2 4,-1.6 1,-0.2 3,-0.5 0.998 114.3 42.9 -68.7 -49.1 2.6 -15.6 15.5 16 16 A S H 3X S+ 0 0 15 -4,-4.6 4,-2.2 1,-0.3 -2,-0.2 0.834 108.0 63.6 -62.9 -29.6 1.4 -16.8 19.0 17 17 A K H >X S+ 0 0 80 -4,-2.2 4,-1.7 -5,-0.2 3,-0.6 0.963 104.9 43.3 -52.3 -56.0 -0.2 -19.8 17.1 18 18 A K H X S+ 0 0 168 -4,-1.0 4,-1.5 1,-0.2 3,-1.0 0.981 111.9 41.2 -72.6 -52.8 4.7 -27.9 22.9 25 25 A R H 3X S+ 0 0 99 -4,-2.6 4,-2.0 1,-0.2 5,-0.3 0.801 108.3 66.2 -62.1 -23.0 7.1 -29.9 20.6 26 26 A M H 3<>S+ 0 0 0 -4,-1.7 5,-1.0 -5,-0.3 4,-0.3 0.788 104.7 40.5 -70.1 -30.3 10.0 -28.3 22.6 27 27 A K H <<5S+ 0 0 109 -3,-1.0 -1,-0.2 -4,-1.0 -2,-0.2 0.801 112.0 60.4 -80.7 -36.5 9.1 -30.1 25.9 28 28 A K H <5S+ 0 0 176 -4,-1.5 -2,-0.2 1,-0.2 -3,-0.1 0.879 113.3 32.4 -65.5 -42.0 8.3 -33.3 23.8 29 29 A V T <5S- 0 0 55 -4,-2.0 -1,-0.2 2,-0.1 -2,-0.1 0.606 115.3-116.5 -84.7 -13.5 11.9 -33.7 22.3 30 30 A R T 5 + 0 0 128 -4,-0.3 -3,-0.2 -5,-0.3 -2,-0.1 0.859 65.2 131.9 67.8 100.0 13.5 -32.3 25.4 31 31 A G < - 0 0 0 -5,-1.0 -1,-0.2 243,-0.0 239,-0.1 -0.851 69.8 -38.3-167.0 155.1 15.2 -29.0 24.5 32 32 A P - 0 0 15 0, 0.0 2,-0.1 0, 0.0 -27,-0.1 0.197 67.7-112.0 -32.5 131.0 14.9 -25.6 26.3 33 33 A S - 0 0 8 -29,-0.1 -27,-1.4 -6,-0.1 2,-0.3 -0.569 37.7-171.0 -63.9 139.4 11.5 -24.9 27.5 34 34 A V E -a 6 0A 1 -11,-0.2 2,-0.3 -29,-0.2 -27,-0.2 -0.987 7.9-178.4-140.0 130.4 9.8 -21.9 25.6 35 35 A T E -a 7 0A 37 -29,-1.8 -27,-2.4 -2,-0.3 2,-0.3 -0.865 24.7-117.4-117.4 153.2 6.5 -20.1 26.4 36 36 A b E -a 8 0A 29 -2,-0.3 2,-0.5 -29,-0.2 -27,-0.2 -0.694 15.2-165.4-102.4 144.1 4.9 -17.3 24.5 37 37 A V E -a 9 0A 29 -29,-2.3 -27,-0.9 -2,-0.3 2,-0.8 -0.952 20.0-154.5-118.6 110.9 4.0 -13.7 25.4 38 38 A K E +a 10 0A 139 -2,-0.5 -27,-0.2 -29,-0.2 2,-0.1 -0.780 23.7 158.0-101.6 117.7 1.7 -12.2 23.0 39 39 A K - 0 0 50 -29,-2.8 -23,-0.1 -2,-0.8 3,-0.1 0.020 44.2-111.5-101.4-147.2 1.6 -8.6 22.5 40 40 A T S S+ 0 0 106 1,-0.4 2,-0.3 -2,-0.1 -29,-0.1 0.536 87.8 18.8-130.8 -17.1 0.3 -6.5 19.5 41 41 A S S > S- 0 0 42 -31,-0.1 4,-2.0 1,-0.1 -1,-0.4 -0.935 73.8-115.4-154.1 157.2 3.3 -4.9 17.7 42 42 A R H > S+ 0 0 57 -2,-0.3 4,-3.3 2,-0.2 5,-0.1 0.921 120.1 61.7 -68.8 -34.7 7.0 -5.6 17.8 43 43 A F H > S+ 0 0 98 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.960 101.6 51.7 -55.0 -47.2 7.2 -2.1 19.5 44 44 A E H > S+ 0 0 63 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.986 108.3 50.5 -49.5 -61.3 5.1 -3.6 22.2 45 45 A a H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 5,-0.4 0.878 102.5 61.2 -48.1 -42.1 7.6 -6.5 22.4 46 46 A I H X S+ 0 0 2 -4,-3.3 4,-2.6 1,-0.2 5,-0.2 0.973 110.4 40.8 -47.6 -62.1 10.5 -4.0 22.7 47 47 A Q H < S+ 0 0 58 -4,-1.7 4,-0.5 2,-0.2 -2,-0.2 0.766 113.9 51.7 -57.9 -44.7 9.0 -2.7 25.9 48 48 A A H ><>S+ 0 0 0 -4,-1.9 5,-2.2 2,-0.2 3,-1.9 0.981 114.1 42.9 -57.9 -55.6 7.9 -6.0 27.4 49 49 A I H ><5S+ 0 0 0 -4,-2.3 3,-1.2 4,-0.3 -2,-0.2 0.881 110.8 59.1 -48.0 -49.2 11.4 -7.5 26.9 50 50 A S T 3<5S+ 0 0 28 -4,-2.6 -1,-0.3 -5,-0.4 -2,-0.2 0.567 111.9 37.2 -63.6 -15.0 12.9 -4.3 28.2 51 51 A T T < 5S- 0 0 93 -3,-1.9 -1,-0.3 -4,-0.5 -2,-0.2 -0.102 121.7 -95.7-129.1 34.6 11.1 -4.5 31.6 52 52 A E T < 5S+ 0 0 90 -3,-1.2 -3,-0.2 2,-0.2 -4,-0.1 0.535 94.2 115.8 67.5 14.3 11.3 -8.2 32.2 53 53 A K S - 0 0 70 -2,-0.2 4,-3.1 193,-0.2 3,-0.3 -0.351 43.5-102.7 -80.9 164.9 14.3 -5.5 11.5 61 61 A G H > S+ 0 0 4 190,-0.2 4,-1.6 1,-0.2 -1,-0.1 0.795 123.0 57.9 -65.1 -24.4 17.3 -3.2 11.3 62 62 A G H > S+ 0 0 19 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.931 114.5 37.2 -66.7 -42.2 15.1 -0.2 11.7 63 63 A L H > S+ 0 0 35 -3,-0.3 4,-2.5 2,-0.2 5,-0.2 0.782 109.8 61.4 -85.2 -22.5 13.7 -1.6 15.0 64 64 A V H X S+ 0 0 1 -4,-3.1 4,-1.8 1,-0.2 -1,-0.2 0.957 105.5 49.9 -62.6 -42.9 17.1 -3.0 16.1 65 65 A Y H < S+ 0 0 37 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.865 115.0 42.4 -59.0 -54.2 18.3 0.5 16.0 66 66 A D H < S+ 0 0 47 -4,-1.2 3,-0.5 1,-0.2 6,-0.3 0.627 110.1 55.0 -64.8 -27.0 15.4 1.7 18.1 67 67 A A H < S+ 0 0 0 -4,-2.5 7,-2.4 1,-0.2 -1,-0.2 0.783 108.5 50.3 -79.2 -26.6 15.4 -1.2 20.6 68 68 A G S < S+ 0 0 16 -4,-1.8 -1,-0.2 5,-0.3 248,-0.2 0.302 95.9 104.5 -91.4 7.4 19.1 -0.5 21.4 69 69 A L S >> S- 0 0 66 -3,-0.5 4,-1.8 -5,-0.1 3,-0.8 -0.296 89.0 -66.1 -86.2 177.0 18.4 3.2 22.0 70 70 A D T 34 S+ 0 0 102 1,-0.2 -3,-0.0 2,-0.2 -4,-0.0 0.660 121.4 36.4 -42.7 -68.9 18.1 5.1 25.1 71 71 A P T 34 S+ 0 0 104 0, 0.0 -1,-0.2 0, 0.0 -4,-0.1 0.800 129.8 24.2 -59.8 -34.4 15.1 3.9 27.1 72 72 A Y T <4 S- 0 0 77 -3,-0.8 -2,-0.2 -6,-0.3 -4,-0.1 0.880 71.4-169.8-102.6 -44.1 15.3 0.2 26.3 73 73 A K < + 0 0 116 -4,-1.8 186,-1.0 -7,-0.2 -5,-0.3 0.889 19.8 163.1 48.5 57.7 18.8 -0.9 25.3 74 74 A L E -D 258 0B 3 -7,-2.4 242,-0.2 184,-0.2 184,-0.2 -0.583 24.9-138.2 -93.0 170.7 18.4 -4.4 24.0 75 75 A R E -D 257 0B 19 182,-2.9 182,-1.5 -2,-0.2 2,-0.4 -0.947 16.7-103.7-132.5 152.1 21.1 -6.0 22.0 76 76 A P E +D 256 0B 1 0, 0.0 180,-0.3 0, 0.0 3,-0.1 -0.558 39.3 166.4 -62.3 115.3 21.4 -8.2 18.9 77 77 A I E + 0 0 0 178,-3.4 233,-2.1 -2,-0.4 2,-0.4 0.663 62.9 25.4-105.5 -27.1 22.2 -11.8 20.0 78 78 A A E -DE 255 309B 0 177,-1.1 177,-2.0 231,-0.2 2,-0.4 -0.963 60.2-149.5-148.1 133.4 21.6 -13.6 16.7 79 79 A A E -DE 254 308B 1 229,-2.3 229,-1.5 -2,-0.4 175,-0.2 -0.753 23.7-128.4 -87.8 143.7 21.6 -12.9 13.0 80 80 A E E - E 0 307B 1 173,-1.8 2,-0.4 -2,-0.4 227,-0.2 -0.523 24.2-134.8 -74.2 156.8 19.3 -14.8 10.7 81 81 A V - 0 0 8 225,-1.6 224,-3.4 -2,-0.2 225,-0.5 -0.940 22.8-175.4-116.9 132.1 21.1 -16.4 7.7 82 82 A Y E +F 89 0C 56 7,-2.7 7,-1.7 -2,-0.4 2,-0.1 -0.543 39.4 49.4-116.2-172.4 19.8 -16.2 4.0 83 83 A G E S-F 88 0C 49 220,-0.2 2,-0.2 5,-0.2 -2,-0.0 -0.506 90.2 -47.6 88.3-159.4 20.9 -17.7 0.5 84 84 A T - 0 0 66 3,-1.0 3,-0.2 -2,-0.1 221,-0.1 -0.734 56.6 -99.0-106.8 171.6 21.8 -21.3 -0.3 85 85 A E S S+ 0 0 158 1,-0.2 -1,-0.0 -2,-0.2 220,-0.0 0.850 123.9 53.6 -60.8 -42.3 24.0 -23.8 1.6 86 86 A N S S+ 0 0 144 1,-0.3 -1,-0.2 -3,-0.0 -3,-0.0 0.938 126.4 20.1 -51.1 -53.9 26.9 -23.1 -0.8 87 87 A Q S S+ 0 0 142 -3,-0.2 -3,-1.0 2,-0.0 2,-0.3 -0.777 72.7 173.2-126.9 84.3 26.6 -19.3 -0.2 88 88 A P E -F 83 0C 24 0, 0.0 2,-0.4 0, 0.0 -5,-0.2 -0.662 14.2-167.5 -84.8 135.7 24.8 -18.2 3.0 89 89 A Q E -F 82 0C 71 -7,-1.7 -7,-2.7 -2,-0.3 3,-0.0 -0.994 24.2-160.6-132.1 148.3 24.9 -14.4 3.7 90 90 A T S S- 0 0 8 599,-1.5 162,-1.0 -2,-0.4 2,-0.3 0.437 73.0 -15.9 -96.8 -9.0 24.1 -12.4 6.6 91 91 A H E -G 251 0D 14 598,-0.3 2,-0.3 160,-0.2 -9,-0.0 -0.946 58.4-139.0-173.9-173.1 23.6 -8.9 5.0 92 92 A Y E -G 250 0D 46 158,-1.3 158,-3.6 -2,-0.3 2,-0.5 -0.939 23.6-100.0-164.7 162.8 24.3 -6.9 1.8 93 93 A Y E -G 249 0D 14 -2,-0.3 118,-2.1 156,-0.3 156,-0.3 -0.682 26.7-137.5 -87.1 122.9 25.4 -3.4 0.5 94 94 A A E -GH 248 210D 0 154,-3.0 153,-2.7 -2,-0.5 154,-1.5 -0.566 38.2-171.9 -73.4 131.3 22.7 -1.0 -0.7 95 95 A V E - H 0 209D 3 114,-2.1 114,-0.6 151,-0.2 2,-0.4 -0.878 27.5-138.2-134.8 154.6 24.3 0.4 -3.9 96 96 A A E - H 0 208D 2 -2,-0.3 134,-1.8 112,-0.2 112,-0.2 -0.953 24.7-168.2-120.6 107.3 23.7 3.2 -6.6 97 97 A I E +IH 229 207D 2 110,-1.5 110,-1.7 -2,-0.4 2,-0.3 -0.608 10.5 168.1-101.7 165.4 24.3 2.2 -10.3 98 98 A A E -IH 228 206D 0 130,-1.4 130,-2.0 108,-0.2 108,-0.2 -0.975 43.2 -76.3-165.5 159.6 24.6 4.4 -13.4 99 99 A K E -I 227 0D 83 106,-0.6 2,-0.5 -2,-0.3 128,-0.3 -0.385 48.5-111.0 -73.8 136.3 25.7 4.1 -17.1 100 100 A K S S+ 0 0 99 126,-3.2 2,-0.3 1,-0.2 3,-0.1 -0.625 106.9 42.2 -57.9 123.9 29.4 4.0 -17.6 101 101 A G S S+ 0 0 55 1,-0.9 -1,-0.2 -2,-0.5 126,-0.0 -0.723 80.6 100.4 139.9 -79.2 29.8 7.4 -19.4 102 102 A T - 0 0 42 -2,-0.3 -1,-0.9 1,-0.2 -4,-0.0 0.166 60.8-153.7 -28.9 136.9 27.6 9.8 -17.5 103 103 A N + 0 0 133 -3,-0.1 2,-0.2 2,-0.1 -1,-0.2 -0.094 46.7 133.5-123.7 29.7 30.0 11.6 -15.3 104 104 A F - 0 0 22 101,-0.1 2,-0.3 3,-0.0 5,-0.1 -0.580 38.7-159.8 -83.1 148.4 27.4 12.4 -12.6 105 105 A Q > - 0 0 44 -2,-0.2 3,-1.4 125,-0.1 131,-0.1 -0.885 39.1 -89.4-126.2 163.3 28.5 11.8 -9.0 106 106 A L G > S+ 0 0 17 125,-0.4 3,-0.7 -2,-0.3 4,-0.1 0.842 127.4 52.5 -45.6 -39.8 26.3 11.3 -5.9 107 107 A N G > S+ 0 0 76 1,-0.2 2,-0.6 2,-0.1 3,-0.6 0.869 104.5 54.4 -64.2 -36.7 26.5 15.1 -5.2 108 108 A Q G < S+ 0 0 96 -3,-1.4 -1,-0.2 1,-0.2 -2,-0.1 -0.249 75.0 109.1 -92.1 42.5 25.3 16.0 -8.7 109 109 A L G X + 0 0 0 -3,-0.7 3,-2.2 -2,-0.6 2,-0.3 0.625 42.6 118.5 -91.5 -15.3 22.2 13.9 -8.6 110 110 A Q T < S+ 0 0 103 -3,-0.6 43,-0.2 1,-0.3 3,-0.1 -0.341 82.5 7.3 -62.6 115.6 19.9 16.8 -8.4 111 111 A G T 3 S+ 0 0 35 41,-0.7 -1,-0.3 1,-0.3 44,-0.2 0.532 95.7 119.9 94.1 6.1 17.6 16.9 -11.2 112 112 A L S < S- 0 0 39 -3,-2.2 42,-1.9 42,-0.1 2,-0.6 -0.299 70.4 -97.7 -86.8-179.0 18.4 13.5 -12.9 113 113 A K - 0 0 70 40,-0.2 92,-3.0 41,-0.2 93,-1.4 -0.921 41.2-155.7 -99.5 131.7 15.8 10.8 -13.5 114 114 A S E -jk 156 206D 0 41,-0.7 43,-1.9 -2,-0.6 2,-0.4 -0.614 15.3-157.6-108.2 152.3 15.8 8.0 -10.9 115 115 A c E -jk 157 207D 0 91,-1.4 93,-1.0 -2,-0.2 2,-0.3 -0.996 21.9-177.2-116.3 123.7 14.6 4.4 -10.9 116 116 A H E - k 0 208D 1 41,-2.2 3,-0.1 -2,-0.4 93,-0.1 -0.877 32.4-123.6-123.9 157.9 13.9 3.0 -7.4 117 117 A T S S- 0 0 0 91,-0.6 74,-2.1 -2,-0.3 2,-0.2 0.774 81.3 -39.8 -71.7 -29.5 12.8 -0.5 -6.3 118 118 A G S > S- 0 0 0 41,-0.2 3,-0.9 72,-0.2 -1,-0.3 -0.721 71.6 -83.5 169.6 142.3 9.6 0.5 -4.5 119 119 A L T 3 S+ 0 0 45 -2,-0.2 41,-0.2 1,-0.2 6,-0.1 -0.170 110.5 11.8 -60.6 156.2 8.6 3.4 -2.2 120 120 A G T 3 S+ 0 0 39 4,-0.1 -1,-0.2 1,-0.1 0, 0.0 0.217 96.5 129.8 62.9 -1.4 9.5 3.1 1.7 121 121 A R < - 0 0 104 -3,-0.9 -2,-0.1 1,-0.0 -1,-0.1 0.963 64.0-119.3 -44.2-102.6 11.8 0.0 1.0 122 122 A S S >S+ 0 0 21 -4,-0.2 5,-5.2 128,-0.0 -2,-0.1 -0.182 101.9 27.4-163.3 -74.3 15.4 -0.0 2.4 123 123 A A T 5S+ 0 0 0 3,-0.2 -28,-0.2 4,-0.2 124,-0.0 0.661 129.9 41.6 -70.4 -41.6 17.8 -0.2 -0.6 124 124 A G T 5S+ 0 0 0 -6,-0.1 -1,-0.1 3,-0.1 -4,-0.1 0.802 135.1 0.3 -90.2 -38.1 15.5 1.5 -3.0 125 125 A W T >5S+ 0 0 6 -6,-0.1 4,-1.9 -9,-0.1 5,-0.2 0.728 126.9 40.6-118.1 -60.8 14.0 4.3 -0.9 126 126 A N T 45S+ 0 0 44 2,-0.2 4,-0.4 1,-0.2 -3,-0.2 0.773 113.4 49.0 -64.5 -45.3 15.1 4.7 2.8 127 127 A I T >> S+ 0 0 0 0, 0.0 4,-1.4 0, 0.0 -2,-0.2 0.689 119.5 47.3 -72.3 -34.8 19.5 6.4 -0.5 129 129 A M H 3< S+ 0 0 2 -4,-1.9 -3,-0.2 2,-0.2 -2,-0.1 0.482 112.9 50.0 -84.8 -11.5 17.0 9.2 0.2 130 130 A G H <4 S+ 0 0 2 -3,-0.6 3,-0.2 -4,-0.4 -3,-0.1 0.650 111.4 48.7 -98.5 -24.9 18.0 9.4 3.9 131 131 A L H < S+ 0 0 30 -4,-1.1 -2,-0.2 1,-0.2 -4,-0.1 0.906 108.9 51.2 -78.1 -40.3 21.6 9.6 3.0 132 132 A L S >X S+ 0 0 7 -4,-1.4 3,-1.6 1,-0.2 4,-1.1 0.583 75.2 123.5 -73.2 -2.9 21.1 12.3 0.5 133 133 A R H 3> + 0 0 7 1,-0.2 4,-0.6 2,-0.2 5,-0.4 0.657 65.2 61.6 -25.3 -38.8 19.1 14.3 3.3 134 134 A P H 34 S+ 0 0 35 0, 0.0 3,-0.3 0, 0.0 -1,-0.2 0.876 106.8 37.5 -58.5 -52.2 21.5 17.3 2.8 135 135 A F H <4 S+ 0 0 101 -3,-1.6 -2,-0.2 1,-0.2 -3,-0.1 0.739 99.1 85.7 -79.0 -20.7 21.0 18.2 -0.7 136 136 A L H < S- 0 0 4 -4,-1.1 -1,-0.2 1,-0.1 -3,-0.1 0.795 84.2-133.1 -53.1 -43.6 17.2 17.5 -0.5 137 137 A D < + 0 0 120 -4,-0.6 2,-0.5 -3,-0.3 -1,-0.1 0.936 49.2 154.4 79.7 58.6 15.7 20.7 0.8 138 138 A W - 0 0 12 -5,-0.4 197,-0.3 1,-0.1 -1,-0.2 -0.955 43.5-154.9-136.0 117.4 13.4 19.1 3.3 139 139 A T - 0 0 93 -2,-0.5 196,-1.3 1,-0.2 197,-0.3 0.767 54.6-103.2 -44.9 -44.6 12.2 20.6 6.5 140 140 A G > - 0 0 2 194,-0.2 3,-0.9 195,-0.1 -1,-0.2 -0.792 64.5 -14.0 126.3-175.3 11.7 17.2 8.3 141 141 A P T 3 S+ 0 0 70 0, 0.0 4,-0.3 0, 0.0 -1,-0.1 0.486 111.6 52.3 -30.2 -61.2 8.7 15.0 9.1 142 142 A P T 3 S+ 0 0 129 0, 0.0 -3,-0.0 0, 0.0 0, 0.0 0.597 96.7 87.4 -59.5 -22.0 5.1 16.2 8.8 143 143 A E S < S- 0 0 41 -3,-0.9 2,-0.4 2,-0.0 3,-0.1 -0.803 102.3-109.5 -72.9 117.0 6.2 17.2 5.4 144 144 A P >> - 0 0 45 0, 0.0 3,-2.2 0, 0.0 4,-0.7 -0.545 21.4-137.4 -49.8 118.3 5.6 14.2 3.2 145 145 A L H >> S+ 0 0 25 -2,-0.4 3,-1.6 -4,-0.3 4,-1.0 0.912 96.3 73.8 -42.8 -47.5 9.2 13.1 2.5 146 146 A Q H 3> S+ 0 0 44 1,-0.3 4,-1.4 2,-0.2 -1,-0.3 0.430 86.4 55.5 -54.1 -6.6 7.9 12.5 -1.1 147 147 A K H <> S+ 0 0 78 -3,-2.2 4,-0.9 2,-0.2 -1,-0.3 0.710 104.2 53.6-103.2 -20.3 7.6 16.1 -2.2 148 148 A A H - 0 0 94 1,-0.1 4,-1.4 2,-0.0 7,-0.1 -0.705 25.1-165.1 -78.0 108.4 0.8 7.7 -5.4 163 163 A G T 4 S+ 0 0 27 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.1 0.251 82.5 77.2 -80.2 13.5 1.1 9.1 -9.0 164 164 A K T 4 S+ 0 0 158 2,-0.2 -1,-0.2 3,-0.0 -3,-0.0 0.927 104.5 19.5 -88.7 -71.7 -1.8 11.0 -7.9 165 165 A E T 4 S+ 0 0 139 1,-0.3 -2,-0.2 2,-0.1 0, 0.0 0.973 142.1 28.8 -56.7 -50.4 -0.4 13.8 -5.7 166 166 A Y < + 0 0 30 -4,-1.4 4,-0.4 1,-0.1 3,-0.4 -0.771 67.5 172.2-117.4 93.5 3.0 13.3 -7.3 167 167 A P S S+ 0 0 78 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.645 70.9 60.7 -81.9 -17.2 3.1 12.1 -10.9 168 168 A N S > S+ 0 0 37 2,-0.2 -12,-3.2 1,-0.2 4,-0.6 0.796 97.4 61.8 -79.3 -29.7 6.8 12.3 -12.0 169 169 A L T 4 S+ 0 0 0 -3,-0.4 -11,-3.5 1,-0.3 -1,-0.2 0.778 116.0 33.3 -65.2 -23.4 7.7 10.0 -9.3 170 170 A f T >4 S+ 0 0 8 -4,-0.4 3,-1.0 -13,-0.2 -1,-0.3 0.380 98.4 101.1-101.6 -0.0 5.4 7.6 -11.2 171 171 A Q T 34 S+ 0 0 117 -3,-0.4 -14,-0.2 1,-0.2 -2,-0.2 0.781 80.6 37.9 -60.6 -29.6 6.5 9.2 -14.4 172 172 A L T 3< S+ 0 0 28 -16,-2.4 -15,-0.3 -4,-0.6 -1,-0.2 0.465 84.3 115.4-111.6 8.9 9.0 6.7 -15.7 173 173 A d < - 0 0 8 -3,-1.0 7,-0.1 -17,-0.4 -3,-0.0 -0.044 57.3-140.2 -63.8 167.7 7.4 3.4 -14.7 174 174 A A + 0 0 44 5,-0.1 6,-0.1 2,-0.1 -1,-0.1 0.505 54.5 117.4-123.7 9.2 6.3 1.0 -17.5 175 175 A G - 0 0 13 4,-0.3 2,-0.3 7,-0.1 5,-0.2 -0.108 51.6-140.9 -67.9 156.5 3.1 -0.7 -16.6 176 176 A T > - 0 0 114 4,-0.1 3,-0.6 3,-0.0 4,-0.1 -0.872 61.1 -1.9-116.1 166.9 0.0 -0.0 -18.8 177 177 A G G > S- 0 0 69 -2,-0.3 3,-0.8 1,-0.2 2,-0.3 -0.347 132.0 -12.4 58.4-138.9 -3.5 0.5 -17.8 178 178 A E G 3 S+ 0 0 158 1,-0.2 -1,-0.2 -2,-0.0 -3,-0.0 -0.253 130.4 65.0 -91.7 40.5 -4.2 0.2 -14.0 179 179 A N G X + 0 0 38 -3,-0.6 3,-3.0 -2,-0.3 -4,-0.3 0.310 62.3 126.3-143.7 -6.0 -0.8 -1.3 -13.2 180 180 A K T < S- 0 0 100 -3,-0.8 3,-0.1 1,-0.3 7,-0.1 -0.435 94.5 -0.8 -61.9 119.5 1.4 1.6 -14.2 181 181 A f T 3 S+ 0 0 9 1,-0.2 -1,-0.3 -2,-0.2 6,-0.1 0.707 98.0 168.5 72.2 23.4 3.6 2.2 -11.1 182 182 A A < - 0 0 20 -3,-3.0 2,-0.7 1,-0.1 -22,-0.2 -0.289 44.2-120.7 -68.4 163.9 1.7 -0.6 -9.5 183 183 A e S S+ 0 0 75 -24,-0.2 2,-0.3 -23,-0.2 -1,-0.1 -0.162 88.4 53.0-102.7 54.2 3.1 -1.8 -6.2 184 184 A S S > S- 0 0 45 -2,-0.7 3,-2.4 -5,-0.2 6,-0.1 -0.916 108.8 -70.5-163.7-178.6 3.7 -5.4 -7.4 185 185 A S T 3 S+ 0 0 103 1,-0.3 -2,-0.1 -2,-0.3 5,-0.0 0.248 114.9 80.3 -75.8 13.0 5.3 -7.3 -10.3 186 186 A Q T 3 S+ 0 0 124 -7,-0.0 -1,-0.3 3,-0.0 -4,-0.1 0.492 80.1 71.7 -95.4 -10.7 2.7 -6.1 -12.6 187 187 A E S X S- 0 0 1 -3,-2.4 3,-1.8 -5,-0.2 -7,-0.1 -0.938 84.2-151.5 -96.2 116.1 4.7 -2.8 -12.7 188 188 A P T 3 S+ 0 0 67 0, 0.0 9,-0.2 0, 0.0 10,-0.1 0.723 91.4 55.4 -79.5 -9.9 7.6 -4.2 -14.8 189 189 A Y T 3 S+ 0 0 18 8,-0.1 2,-0.2 7,-0.1 -73,-0.2 0.043 83.8 119.8-108.8 39.6 10.1 -1.8 -13.3 190 190 A F <> + 0 0 47 -3,-1.8 4,-1.0 -6,-0.1 -72,-0.2 -0.535 61.2 9.8-100.5 147.5 9.2 -2.9 -9.8 191 191 A G H > S- 0 0 12 -74,-2.1 4,-2.3 3,-0.2 5,-0.2 -0.052 105.4 -51.2 82.9-179.0 12.0 -4.5 -7.5 192 192 A Y H > S+ 0 0 49 2,-0.2 4,-1.9 1,-0.2 -1,-0.1 0.961 139.9 44.2 -56.9 -57.1 15.8 -4.8 -7.7 193 193 A S H > S+ 0 0 81 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.862 117.7 44.1 -61.7 -36.7 15.5 -6.3 -11.1 194 194 A G H X S+ 0 0 1 -4,-1.0 4,-2.7 2,-0.2 -3,-0.2 0.775 108.7 56.3 -80.5 -27.6 12.9 -3.7 -12.3 195 195 A A H X S+ 0 0 0 -4,-2.3 4,-0.9 1,-0.2 -2,-0.2 0.912 113.1 44.9 -65.5 -37.2 14.8 -0.8 -10.7 196 196 A F H >X S+ 0 0 1 -4,-1.9 4,-3.0 2,-0.2 3,-0.7 0.918 110.8 49.3 -71.0 -45.2 17.7 -2.1 -12.9 197 197 A K H 3X S+ 0 0 97 -4,-2.2 4,-2.5 1,-0.3 5,-0.4 0.981 105.2 61.8 -58.9 -38.6 15.6 -2.6 -16.1 198 198 A c H 3X>S+ 0 0 1 -4,-2.7 6,-1.5 1,-0.3 4,-1.0 0.859 112.9 35.9 -48.9 -48.3 14.4 1.0 -15.5 199 199 A L H <<5S+ 0 0 4 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.923 116.4 51.3 -72.9 -52.4 18.0 2.0 -15.8 200 200 A Q H <5S+ 0 0 96 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.970 109.0 52.9 -49.7 -56.2 19.1 -0.4 -18.6 201 201 A D H <5S- 0 0 85 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.837 118.2-109.8 -54.0 -38.7 16.1 0.6 -20.7 202 202 A G T <5S+ 0 0 44 -4,-1.0 -3,-0.1 -5,-0.4 -1,-0.1 0.237 85.3 119.1 122.6 -8.0 17.0 4.4 -20.5 203 203 A A S -H 94 0D 41 -116,-0.2 3,-1.5 -2,-0.1 4,-0.4 -0.902 43.3 -81.6-131.8 178.1 21.9 -3.7 -4.3 211 211 A D T 3 S+ 0 0 15 -118,-2.1 4,-0.4 -2,-0.3 3,-0.3 0.776 122.8 40.4 -38.4 -58.1 25.3 -5.4 -4.6 212 212 A S T >> S+ 0 0 27 1,-0.2 4,-2.1 2,-0.1 3,-1.0 0.754 83.6 94.3 -62.6 -32.9 24.0 -8.3 -6.7 213 213 A T H <> S+ 0 0 2 -3,-1.5 4,-3.1 1,-0.3 3,-0.4 0.857 90.5 43.3 -40.1 -59.6 21.4 -6.9 -9.1 214 214 A V H 3> S+ 0 0 0 -4,-0.4 4,-3.5 -3,-0.3 -1,-0.3 0.893 113.3 53.7 -54.9 -38.5 23.8 -6.4 -12.2 215 215 A F H <4 S+ 0 0 65 -3,-1.0 -1,-0.2 -4,-0.4 -2,-0.2 0.899 115.6 38.8 -64.2 -41.0 25.4 -9.8 -11.6 216 216 A E H < S+ 0 0 150 -4,-2.1 -1,-0.3 -3,-0.4 -2,-0.2 0.810 123.4 41.8 -74.9 -33.8 22.0 -11.4 -11.6 217 217 A S H < S+ 0 0 44 -4,-3.1 -2,-0.2 -5,-0.4 -3,-0.2 0.926 124.7 31.5 -87.9 -41.9 20.7 -9.2 -14.5 218 218 A L < + 0 0 15 -4,-3.5 -1,-0.3 -5,-0.3 6,-0.2 -0.848 64.0 172.9-116.4 97.8 23.8 -9.2 -16.7 219 219 A P + 0 0 94 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.941 57.9 84.1 -60.0 -62.8 25.9 -12.5 -16.5 220 220 A A S S- 0 0 41 1,-0.2 4,-0.2 2,-0.1 -2,-0.1 0.202 75.4-142.8 -30.0 169.5 28.3 -11.8 -19.2 221 221 A K S > S+ 0 0 118 2,-0.1 4,-1.1 3,-0.1 -1,-0.2 0.621 95.5 69.7-109.5 -19.7 31.1 -9.7 -17.9 222 222 A A T 4 S+ 0 0 61 1,-0.2 3,-0.3 2,-0.2 4,-0.1 0.883 101.5 43.7 -51.6 -49.9 31.2 -7.9 -21.1 223 223 A D T >4 S+ 0 0 78 1,-0.2 3,-2.3 2,-0.2 -1,-0.2 0.881 105.7 60.6 -62.5 -43.0 27.9 -6.1 -20.5 224 224 A R G >4 S+ 0 0 42 1,-0.3 3,-1.3 -4,-0.2 15,-0.3 0.759 90.7 70.2 -68.2 -21.0 28.6 -5.3 -16.8 225 225 A D G 3< S+ 0 0 66 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.586 82.2 72.6 -75.3 -4.9 31.6 -3.2 -17.9 226 226 A Q G < S+ 0 0 99 -3,-2.3 -126,-3.2 -4,-0.1 2,-0.3 0.367 95.0 75.6 -89.5 15.9 29.1 -0.6 -19.4 227 227 A Y E < -I 99 0D 13 -3,-1.3 12,-0.5 -128,-0.3 2,-0.2 -0.945 56.6-171.8-130.0 146.2 28.3 0.3 -15.8 228 228 A E E -I 98 0D 44 -130,-2.0 -130,-1.4 -2,-0.3 2,-0.3 -0.728 19.0-133.6-122.8 169.9 29.8 2.2 -12.8 229 229 A L E -IL 97 237D 4 8,-0.8 8,-2.5 -2,-0.2 2,-0.6 -0.936 20.6-129.3-123.1 145.7 28.9 2.5 -9.1 230 230 A L E - L 0 236D 3 -134,-1.8 6,-0.2 -2,-0.3 -134,-0.2 -0.896 27.4-150.5-100.5 122.7 28.8 6.0 -7.5 231 231 A g E >> - L 0 235D 2 4,-1.8 3,-2.7 -2,-0.6 4,-0.7 -0.566 25.5-110.5 -91.7 164.9 30.8 5.8 -4.2 232 232 A P T 34 S+ 0 0 39 0, 0.0 -1,-0.1 0, 0.0 13,-0.1 0.663 117.6 59.8 -63.6 -15.9 30.2 8.0 -1.2 233 233 A N T 34 S- 0 0 79 371,-0.0 3,-0.1 372,-0.0 12,-0.0 0.579 123.7-103.4 -90.3 -1.0 33.5 9.9 -1.8 234 234 A N T <4 S+ 0 0 55 -3,-2.7 2,-0.2 1,-0.2 -4,-0.1 0.925 82.1 111.2 86.0 52.6 32.2 10.9 -5.1 235 235 A T E < -L 231 0D 47 -4,-0.7 -4,-1.8 2,-0.0 2,-0.4 -0.772 62.5-111.5-139.2-176.1 33.8 8.7 -7.6 236 236 A R E 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246 A H - 0 0 36 -2,-0.4 -151,-0.2 -3,-0.2 3,-0.1 -0.875 58.0-135.3-139.3 172.2 28.6 1.2 -1.5 247 247 A L S S- 0 0 5 -153,-2.7 2,-0.3 1,-0.4 -152,-0.2 0.776 82.7 -21.7-104.9 -41.2 25.8 3.3 0.0 248 248 A A E -G 94 0D 0 -154,-1.5 -154,-3.0 75,-0.1 -1,-0.4 -0.958 55.2-124.9-167.0 157.0 25.0 1.3 3.2 249 249 A R E -G 93 0D 33 -156,-0.3 -156,-0.3 -2,-0.3 75,-0.2 -0.943 25.3-147.7-109.6 131.5 25.3 -2.3 4.5 250 250 A V E -G 92 0D 12 -158,-3.6 -158,-1.3 -2,-0.4 70,-0.1 -0.894 11.0-140.9-115.0 119.7 22.0 -3.9 5.6 251 251 A P E -G 91 0D 11 0, 0.0 -190,-0.2 0, 0.0 -160,-0.2 -0.340 24.7-102.3 -76.8 156.4 22.2 -6.4 8.5 252 252 A S - 0 0 3 -162,-1.0 -162,-0.1 -172,-0.1 -171,-0.1 -0.410 56.5 -80.7 -74.0 158.2 20.1 -9.6 8.6 253 253 A H - 0 0 69 -174,-0.1 -173,-1.8 -2,-0.1 2,-0.4 -0.255 58.4-142.5 -50.5 144.9 17.1 -9.3 10.9 254 254 A A E -CD 59 79B 0 -195,-2.4 -195,-3.5 -175,-0.2 2,-0.5 -0.939 14.0-131.3-118.0 148.5 18.2 -9.9 14.6 255 255 A V E -CD 58 78B 1 -177,-2.0 -178,-3.4 -2,-0.4 -177,-1.1 -0.695 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57.9-156.9 -99.5 123.0 0.4 -16.2 7.4 296 296 A K - 0 0 126 -2,-0.4 3,-0.1 1,-0.2 -3,-0.1 -0.880 54.4 -27.2-121.2 129.3 3.8 -14.7 6.7 297 297 A D S S- 0 0 58 -2,-0.5 2,-0.3 1,-0.2 -1,-0.2 0.939 72.6-173.1 49.6 52.8 7.1 -14.9 8.3 298 298 A L - 0 0 7 -3,-0.2 2,-2.1 1,-0.1 -8,-0.3 -0.653 65.7 -16.0 -79.4 136.3 5.6 -15.5 11.7 299 299 A L S S+ 0 0 1 -2,-0.3 -241,-0.5 -3,-0.1 2,-0.2 -0.448 139.8 13.4 77.1 -67.1 8.3 -15.4 14.4 300 300 A F S S- 0 0 4 -2,-2.1 2,-0.4 -12,-0.4 -10,-0.1 -0.497 101.1 -75.7-121.6-169.3 11.3 -15.8 12.1 301 301 A K > - 0 0 54 -2,-0.2 3,-1.2 1,-0.1 -5,-0.0 -0.812 22.9-146.6 -98.3 145.2 11.6 -15.4 8.3 302 302 A D T 3 S+ 0 0 30 -2,-0.4 -1,-0.1 1,-0.3 -13,-0.1 0.614 103.1 61.1 -77.2 -13.4 10.4 -18.3 6.1 303 303 A S T 3 S+ 0 0 53 -13,-0.0 -1,-0.3 -221,-0.0 -220,-0.2 0.580 87.4 105.7 -79.6 -21.0 13.2 -17.3 3.8 304 304 A A < - 0 0 0 -3,-1.2 -222,-0.2 -222,-0.1 -24,-0.1 -0.401 50.0-165.6 -81.3 149.5 15.9 -18.0 6.5 305 305 A L - 0 0 48 -224,-3.4 2,-0.3 1,-0.2 -223,-0.1 0.383 66.3 -39.2-117.4 12.4 18.3 -20.9 6.8 306 306 A G - 0 0 4 -225,-0.5 -225,-1.6 -27,-0.1 2,-0.3 -0.975 57.1 -99.1 157.7 178.1 19.5 -20.7 10.4 307 307 A L E -E 80 0B 5 -2,-0.3 2,-0.3 -227,-0.2 -227,-0.2 -0.901 25.1-150.0-118.6 168.5 20.5 -18.3 13.1 308 308 A L E -E 79 0B 47 -229,-1.5 -229,-2.3 -2,-0.3 2,-0.2 -0.946 18.6-121.8-143.4 135.2 24.0 -17.1 14.4 309 309 A R E -E 78 0B 55 -2,-0.3 -231,-0.2 -231,-0.2 -232,-0.1 -0.416 32.5-142.4 -73.1 127.6 25.3 -16.0 17.8 310 310 A I - 0 0 0 -233,-2.1 -1,-0.1 -2,-0.2 373,-0.1 -0.885 29.0 -91.9 -91.9 123.2 26.7 -12.5 17.4 311 311 A P > - 0 0 21 0, 0.0 3,-0.9 0, 0.0 -1,-0.1 0.221 31.3-123.4 -28.1 142.8 29.9 -11.5 19.3 312 312 A K T 3 S+ 0 0 119 1,-0.3 -2,-0.0 -3,-0.1 -3,-0.0 0.873 108.8 66.2 -75.3 -22.2 29.2 -9.9 22.7 313 313 A K T 3 S+ 0 0 58 366,-0.1 -1,-0.3 2,-0.0 2,-0.2 0.888 84.6 93.1 -56.6 -40.4 31.2 -6.9 21.8 314 314 A I < + 0 0 0 -3,-0.9 2,-0.1 4,-0.1 -4,-0.1 -0.376 53.6 171.6 -70.5 128.2 28.5 -6.1 19.2 315 315 A D > - 0 0 56 -2,-0.2 4,-1.8 -240,-0.1 5,-0.2 -0.419 51.7 -66.8-117.8-168.0 25.7 -3.7 20.2 316 316 A S H > S+ 0 0 14 -242,-0.2 4,-2.2 1,-0.2 3,-0.2 0.984 129.0 36.0 -48.6 -66.5 22.8 -1.9 18.5 317 317 A G H > S+ 0 0 5 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.665 114.9 49.0 -63.0 -36.6 25.0 0.4 16.4 318 318 A L H 4 S+ 0 0 10 2,-0.2 -1,-0.2 -5,-0.1 -2,-0.2 0.819 112.3 53.2 -64.9 -41.4 28.0 -1.7 15.4 319 319 A Y H < S+ 0 0 7 -4,-1.8 -2,-0.2 -3,-0.2 -3,-0.1 0.987 120.6 32.5 -58.3 -52.3 25.5 -4.3 14.3 320 320 A L H < S- 0 0 1 -4,-2.2 4,-0.4 -5,-0.2 -71,-0.2 0.892 105.6-144.7 -67.3 -52.5 23.8 -1.7 12.2 321 321 A G X - 0 0 11 -4,-2.8 4,-1.0 -5,-0.2 -1,-0.1 -0.427 24.9 -80.4 107.5-176.9 26.8 0.4 11.2 322 322 A S H > S+ 0 0 9 63,-0.3 4,-2.5 2,-0.2 -1,-0.1 0.759 123.8 52.7 -94.2 -37.1 27.3 4.2 10.6 323 323 A N H > S+ 0 0 46 2,-0.2 4,-1.8 3,-0.2 5,-0.2 0.983 113.4 44.7 -62.4 -53.7 25.9 4.4 7.1 324 324 A Y H > S+ 0 0 20 -4,-0.4 4,-2.2 -75,-0.2 -2,-0.2 0.869 114.4 47.5 -56.9 -49.0 22.7 2.6 8.2 325 325 A I H X S+ 0 0 8 -4,-1.0 4,-2.7 1,-0.2 -1,-0.2 0.910 111.5 52.2 -64.9 -39.1 22.3 4.7 11.4 326 326 A T H X S+ 0 0 9 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.827 106.6 53.1 -55.3 -36.3 22.9 7.9 9.4 327 327 A A H < S+ 0 0 1 -4,-1.8 4,-0.3 1,-0.2 -2,-0.2 0.976 112.9 44.7 -71.1 -43.6 20.2 6.9 6.8 328 328 A I H >X S+ 0 0 16 -4,-2.2 3,-1.2 2,-0.2 4,-0.8 0.913 112.5 51.1 -59.1 -50.6 17.8 6.4 9.7 329 329 A R H >< S+ 0 0 43 -4,-2.7 3,-1.2 1,-0.2 -2,-0.2 0.975 107.4 51.6 -63.1 -44.9 18.8 9.7 11.5 330 330 A G T 3< S+ 0 0 7 -4,-2.3 3,-0.3 1,-0.2 -1,-0.2 0.508 105.0 57.5 -66.0 -1.6 18.4 11.9 8.3 331 331 A L T <4 S+ 0 0 41 -3,-1.2 -1,-0.2 -4,-0.3 -2,-0.2 0.680 117.7 31.9 -97.7 -25.6 14.8 10.7 7.6 332 332 A R S << S+ 0 0 117 -3,-1.2 2,-0.3 -4,-0.8 -1,-0.2 -0.553 101.4 90.6-134.1 67.5 13.6 11.7 10.9 333 333 A E S S- 0 0 45 -3,-0.3 2,-0.6 -2,-0.1 -3,-0.0 -0.946 76.9 -98.1-152.6 166.6 15.5 14.7 11.9 334 334 A T > - 0 0 65 -2,-0.3 4,-2.2 -194,-0.1 5,-0.3 -0.793 27.5-125.4 -95.0 115.9 15.1 18.3 11.6 335 335 A A H > S+ 0 0 50 -196,-1.3 4,-1.4 -2,-0.6 -1,-0.1 0.738 117.2 61.9 -33.8 -15.9 17.1 20.0 8.7 336 336 A A H >> S+ 0 0 71 -197,-0.3 4,-1.6 2,-0.2 3,-1.3 0.947 107.0 34.9 -68.5 -79.8 18.1 21.9 11.9 337 337 A E H 3> S+ 0 0 105 1,-0.3 4,-1.4 2,-0.2 -2,-0.2 0.696 114.9 64.3 -45.1 -34.1 19.7 19.0 13.8 338 338 A V H 3X S+ 0 0 14 -4,-2.2 4,-2.3 2,-0.2 -1,-0.3 0.891 103.7 41.6 -68.8 -44.3 20.9 17.6 10.4 339 339 A E H S- 0 0 36 23,-1.1 4,-1.8 -2,-0.5 23,-0.1 0.092 94.4 -58.2 68.6 173.0 40.7 8.9 29.5 352 352 A S H > S+ 0 0 62 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.742 126.2 41.4 -70.7 -30.2 40.3 12.2 31.5 353 353 A D H > S+ 0 0 62 2,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.834 117.3 51.2 -87.7 -23.6 43.0 14.8 30.6 354 354 A E H > S+ 0 0 37 -4,-0.5 4,-1.3 2,-0.2 -2,-0.2 0.918 111.3 52.7 -66.4 -35.7 42.6 13.8 27.0 355 355 A Q H X S+ 0 0 66 -4,-1.8 4,-1.4 1,-0.2 3,-0.4 0.941 112.3 39.7 -58.9 -55.5 39.1 14.5 28.1 356 356 A L H X S+ 0 0 66 -4,-2.3 4,-0.7 1,-0.2 -2,-0.2 0.679 110.0 59.8 -75.7 -18.9 39.8 17.9 29.5 357 357 A K H X S+ 0 0 17 -4,-2.5 4,-1.7 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3,-0.1 5,-0.2 0.685 111.2 51.0 -93.0 -38.1 55.6 -4.9 4.6 665 665 A Y H > S+ 0 0 6 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.915 106.4 50.3 -63.9 -51.2 54.0 -3.2 7.5 666 666 A V H X S+ 0 0 34 -4,-1.9 4,-4.4 3,-0.2 5,-0.2 0.922 112.7 49.5 -52.3 -50.9 50.5 -4.9 7.0 667 667 A T H X S+ 0 0 43 -4,-0.7 4,-3.5 2,-0.2 5,-0.3 0.986 112.1 45.8 -56.5 -62.4 52.3 -8.3 6.8 668 668 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.933 120.2 41.3 -34.4 -62.3 54.3 -7.7 10.0 669 669 A I H X S+ 0 0 7 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.879 113.7 52.7 -68.7 -34.5 51.2 -6.4 11.7 670 670 A A H X S+ 0 0 23 -4,-4.4 4,-1.5 2,-0.2 5,-0.3 0.968 108.9 49.4 -66.9 -45.2 48.9 -9.1 10.2 671 671 A K H >X S+ 0 0 4 -4,-3.5 4,-1.2 1,-0.2 3,-0.8 0.979 116.9 41.8 -52.7 -57.3 51.2 -12.0 11.4 672 672 A L H 3X S+ 0 0 18 -4,-2.1 4,-2.9 -5,-0.3 3,-0.3 0.859 106.2 60.8 -53.7 -49.9 51.4 -10.6 14.9 673 673 A R H 3< S+ 0 0 52 -4,-2.4 5,-0.2 1,-0.3 -1,-0.2 0.733 102.2 52.7 -67.4 -17.8 47.7 -9.6 15.2 674 674 A R H << S+ 0 0 162 -4,-1.5 3,-0.3 -3,-0.8 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-1,-0.2 0.805 110.2 45.0 -50.1 -48.6 34.9 -6.4 12.6 685 685 A A H >< S+ 0 0 66 -4,-2.1 3,-1.0 1,-0.2 -1,-0.3 0.793 107.7 59.9 -69.0 -34.6 35.6 -9.6 10.6 686 686 A F H << S+ 0 0 36 -4,-2.0 -1,-0.2 -3,-0.9 -2,-0.2 0.717 93.4 64.9 -60.9 -34.5 32.3 -11.2 11.7 687 687 A L T 3< S+ 0 0 18 -4,-1.0 2,-0.4 -3,-0.4 -1,-0.2 0.446 95.8 64.5 -78.0 -5.4 30.3 -8.3 10.1 688 688 A M < 0 0 92 -3,-1.0 -1,-0.2 -4,-0.1 -599,-0.0 -0.957 360.0 360.0-113.8 104.8 31.7 -9.5 6.7 689 689 A R 0 0 145 -2,-0.4 -599,-1.5 -598,-0.0 -598,-0.3 -0.901 360.0 360.0-146.1 360.0 30.2 -13.0 6.2