==== 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 02-MAR-01 1I6B . COMPND 2 MOLECULE: LACTOTRANSFERRIN; . SOURCE 2 ORGANISM_SCIENTIFIC: EQUUS CABALLUS; . AUTHOR P.KUMAR,S.YADAV,T.P.SINGH . 689 1 17 17 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29983.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 432 62.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 3.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 64 9.3 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 . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 46 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 80 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 163 23.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.5 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 3 4 1 3 2 1 4 0 1 0 2 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 0 2 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 PARALLEL BRIDGES PER LADDER . 3 3 4 5 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 ANTIPARALLEL BRIDGES PER LADDER . 1 1 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 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 0 145 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 94.0 41.2 53.2 9.8 2 2 A P - 0 0 114 0, 0.0 2,-0.2 0, 0.0 264,-0.0 0.757 360.0 -68.7 -15.9-127.2 41.3 52.0 13.5 3 3 A R - 0 0 152 1,-0.2 3,-0.1 263,-0.0 0, 0.0 -0.855 38.8 -89.1-142.2 178.5 44.5 52.1 15.6 4 4 A K S S- 0 0 176 -2,-0.2 2,-0.3 1,-0.2 -1,-0.2 0.872 70.8 -37.3 -57.5-117.7 48.0 50.5 16.3 5 5 A S - 0 0 43 27,-0.1 2,-1.1 30,-0.0 29,-0.3 -0.892 41.9-122.0-123.7 153.7 48.6 47.6 18.6 6 6 A V B -a 34 0A 5 27,-2.8 2,-1.8 -2,-0.3 29,-0.6 -0.745 22.8-151.2 -93.5 95.9 47.3 46.3 21.9 7 7 A R - 0 0 54 -2,-1.1 48,-1.3 27,-0.3 2,-0.4 -0.489 17.8-169.5 -69.6 89.7 50.3 46.0 24.2 8 8 A W - 0 0 2 -2,-1.8 29,-2.0 27,-0.3 49,-0.2 -0.664 16.5-132.2 -79.0 130.7 49.0 43.1 26.4 9 9 A a B -b 37 0B 0 47,-2.1 2,-0.3 -2,-0.4 29,-0.2 -0.484 17.5-142.8 -89.4 163.0 51.3 42.7 29.4 10 10 A T - 0 0 2 27,-1.9 29,-0.2 1,-0.2 -1,-0.0 -0.926 15.0-161.4-127.6 150.7 52.8 39.4 30.8 11 11 A I S S+ 0 0 23 -2,-0.3 28,-0.6 27,-0.1 -1,-0.2 0.732 74.7 21.7 -85.6-106.4 53.6 37.7 34.0 12 12 A S S > S- 0 0 4 1,-0.1 4,-2.0 3,-0.1 27,-0.2 0.190 79.7-111.8 -55.1 173.7 56.2 34.9 33.6 13 13 A P H > S+ 0 0 76 0, 0.0 4,-3.6 0, 0.0 -1,-0.1 0.924 122.0 54.9 -75.3 -44.9 58.7 34.5 30.7 14 14 A A H > S+ 0 0 30 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.850 105.8 56.1 -54.5 -32.0 56.8 31.4 29.5 15 15 A E H > S+ 0 0 9 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.996 106.4 45.7 -62.8 -59.7 53.9 33.8 29.5 16 16 A A H X S+ 0 0 28 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.914 114.9 55.7 -48.3 -42.2 55.7 36.2 27.2 17 17 A A H X S+ 0 0 49 -4,-3.6 4,-1.1 1,-0.2 -2,-0.2 0.981 108.0 39.2 -53.5 -78.7 56.5 33.1 25.3 18 18 A K H X S+ 0 0 6 -4,-2.7 4,-1.1 1,-0.2 -1,-0.2 0.802 114.3 60.6 -45.3 -30.4 53.2 31.5 24.6 19 19 A b H >X S+ 0 0 2 -4,-2.5 3,-3.0 -5,-0.3 4,-0.9 0.996 92.7 60.9 -59.1 -70.4 51.9 35.0 24.0 20 20 A A H 3X S+ 0 0 39 -4,-2.4 4,-2.9 1,-0.3 -1,-0.2 0.722 98.5 58.0 -20.4 -55.9 54.2 35.8 21.2 21 21 A K H 3X S+ 0 0 83 -4,-1.1 4,-3.0 1,-0.3 5,-0.4 0.923 103.1 54.6 -47.0 -48.7 52.8 33.0 19.1 22 22 A F H X S+ 0 0 182 -4,-2.9 3,-1.0 1,-0.2 4,-1.0 0.930 113.6 48.2 -38.4 -75.0 52.7 35.9 15.3 25 25 A N H >X S+ 0 0 23 -4,-3.0 3,-1.5 1,-0.3 4,-0.9 0.842 102.7 64.1 -35.6 -54.0 49.6 33.9 14.4 26 26 A M H >X>S+ 0 0 5 -4,-3.1 3,-2.2 -5,-0.4 4,-1.8 0.899 98.1 54.0 -38.8 -58.9 47.5 37.0 14.4 27 27 A K H <<5S+ 0 0 167 -4,-1.5 -1,-0.3 -3,-1.0 -2,-0.2 0.840 95.9 68.6 -47.9 -38.4 49.3 38.5 11.6 28 28 A K H <<5S+ 0 0 109 -3,-1.5 -1,-0.3 -4,-1.0 -2,-0.2 0.843 110.6 32.9 -53.3 -34.5 48.7 35.4 9.5 29 29 A V H <<5S- 0 0 44 -3,-2.2 -1,-0.3 -4,-0.9 -2,-0.2 0.709 104.6-137.8 -93.7 -22.2 45.0 36.3 9.4 30 30 A R T <5 + 0 0 221 -4,-1.8 -3,-0.2 -5,-0.3 -2,-0.1 0.564 57.8 126.1 77.8 16.0 45.7 40.0 9.4 31 31 A G S - 0 0 8 143,-0.1 4,-3.8 1,-0.1 5,-0.2 -0.658 60.3 -77.4-132.6-171.2 54.0 39.5 37.4 42 42 A S H > S+ 0 0 15 141,-0.7 4,-2.7 2,-0.2 5,-0.1 0.984 125.5 48.4 -52.5 -64.1 50.3 40.2 37.4 43 43 A F H >> S+ 0 0 82 1,-0.3 4,-1.2 140,-0.2 3,-0.8 0.917 118.9 38.8 -40.6 -63.5 50.5 42.6 40.3 44 44 A E H 3> S+ 0 0 81 1,-0.3 4,-1.9 2,-0.2 -1,-0.3 0.890 110.3 62.9 -56.1 -41.0 53.4 44.5 38.8 45 45 A a H 3X S+ 0 0 1 -4,-3.8 4,-1.3 1,-0.2 -1,-0.3 0.865 96.5 59.5 -53.4 -39.0 51.7 44.1 35.5 46 46 A I H XX S+ 0 0 4 -4,-2.7 3,-1.9 -3,-0.8 4,-1.7 0.978 103.5 48.3 -52.3 -63.5 48.8 46.1 36.8 47 47 A Q H 3< S+ 0 0 69 -4,-1.2 4,-0.3 1,-0.3 -1,-0.2 0.881 104.9 61.5 -42.3 -49.1 50.9 49.1 37.5 48 48 A A H 3< S+ 0 0 8 -4,-1.9 6,-1.9 1,-0.3 3,-0.5 0.796 104.9 47.4 -50.2 -35.9 52.4 48.8 34.0 49 49 A I H << S+ 0 0 0 -3,-1.9 3,-0.4 -4,-1.3 -1,-0.3 0.903 107.8 53.7 -74.1 -42.0 49.0 49.3 32.5 50 50 A A S < S+ 0 0 38 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.362 108.0 56.7 -74.0 4.6 48.3 52.3 34.8 51 51 A A S S- 0 0 57 -3,-0.5 2,-2.2 -4,-0.3 -1,-0.3 -0.552 113.4-112.1-139.5 86.0 51.6 53.7 33.4 52 52 A N S S+ 0 0 86 -3,-0.4 206,-0.1 1,-0.2 -1,-0.1 -0.075 98.4 93.5 2.9 -47.3 50.9 53.7 29.7 53 53 A K S S+ 0 0 139 -2,-2.2 2,-0.2 -3,-0.1 -4,-0.2 0.581 94.8 19.2 -27.5 -36.8 53.4 51.0 28.8 54 54 A A + 0 0 0 -6,-1.9 -46,-0.2 -7,-0.1 -3,-0.1 -0.813 53.2 159.6-134.0 174.3 50.7 48.2 29.1 55 55 A D + 0 0 0 -48,-1.3 201,-0.2 1,-0.5 -47,-0.1 0.066 50.8 64.6-153.4 -88.2 46.9 47.7 29.0 56 56 A A + 0 0 0 -49,-0.1 -47,-2.1 206,-0.1 -1,-0.5 -0.148 57.0 123.3 -57.0 147.7 45.1 44.5 28.3 57 57 A V - 0 0 14 -49,-0.2 199,-3.6 199,-0.1 2,-0.2 -0.701 53.0-104.7 161.1 146.7 45.5 41.5 30.6 58 58 A T E -C 255 0C 18 241,-0.5 2,-0.3 197,-0.3 197,-0.2 -0.573 31.9-172.7 -88.5 148.9 43.4 39.1 32.7 59 59 A L E -C 254 0C 4 195,-1.6 195,-1.7 -2,-0.2 2,-0.1 -1.000 23.5-116.1-146.5 142.8 43.2 39.2 36.4 60 60 A D >> - 0 0 3 -2,-0.3 4,-2.6 193,-0.2 3,-1.3 -0.321 41.9 -99.0 -72.6 157.1 41.7 37.0 39.1 61 61 A G H 3> S+ 0 0 1 190,-0.3 4,-1.7 1,-0.3 5,-0.2 0.914 122.3 51.9 -36.6 -77.5 38.9 38.3 41.2 62 62 A G H 3> S+ 0 0 6 1,-0.3 4,-1.4 2,-0.2 -1,-0.3 0.701 112.9 48.6 -34.1 -34.2 41.0 39.3 44.1 63 63 A L H <> S+ 0 0 13 -3,-1.3 4,-3.4 2,-0.2 3,-0.3 0.984 101.9 58.1 -76.4 -59.1 43.3 41.2 41.8 64 64 A V H X S+ 0 0 5 -4,-2.6 4,-2.4 1,-0.3 10,-0.2 0.824 104.7 53.8 -36.0 -48.3 40.7 43.1 40.0 65 65 A Y H < S+ 0 0 30 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.973 114.0 40.4 -51.9 -58.7 39.6 44.5 43.2 66 66 A E H < S+ 0 0 47 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.3 0.861 112.2 63.7 -55.9 -35.3 43.1 45.6 43.9 67 67 A A H < S+ 0 0 0 -4,-3.4 2,-1.1 1,-0.2 6,-0.6 0.965 96.9 50.7 -54.4 -68.4 43.3 46.6 40.2 68 68 A G S < S+ 0 0 8 -4,-2.4 2,-0.3 5,-0.3 -1,-0.2 -0.667 92.8 114.5 -75.6 106.0 40.7 49.3 40.0 69 69 A L S > S- 0 0 46 -2,-1.1 4,-1.1 1,-0.1 3,-0.1 -0.963 75.2 -49.1-161.9 178.5 41.8 51.4 42.9 70 70 A H T 4 S+ 0 0 159 -2,-0.3 -1,-0.1 1,-0.2 -3,-0.0 0.713 128.8 13.0 -20.5 -73.1 43.2 54.7 44.1 71 71 A P T 4 S+ 0 0 81 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.767 137.0 39.7 -87.2 -25.3 46.3 55.2 41.8 72 72 A Y T 4 + 0 0 71 -6,-0.2 187,-0.3 -5,-0.1 -4,-0.2 0.942 69.9 177.9 -86.8 -63.5 45.5 52.5 39.2 73 73 A K < + 0 0 124 -4,-1.1 186,-1.0 -6,-0.6 2,-0.4 0.977 17.3 169.0 53.4 75.8 41.8 52.7 38.7 74 74 A L E -D 258 0C 3 -10,-0.2 184,-0.2 184,-0.2 -1,-0.2 -0.971 21.8-148.6-122.8 138.4 41.4 50.1 36.0 75 75 A R E -D 257 0C 20 182,-1.1 182,-1.7 -2,-0.4 2,-0.6 -0.890 20.5-115.0-115.3 134.5 38.1 48.6 34.8 76 76 A P E -D 256 0C 0 0, 0.0 180,-0.3 0, 0.0 3,-0.1 -0.403 25.2-174.0 -63.4 108.5 37.4 45.1 33.4 77 77 A V E + 0 0 2 178,-1.4 233,-4.9 -2,-0.6 2,-0.3 0.884 67.9 7.1 -74.1 -35.0 36.4 45.4 29.9 78 78 A A E -DE 255 309C 3 177,-1.3 177,-2.5 231,-0.3 2,-0.4 -0.993 60.0-144.9-153.3 143.7 35.5 41.7 29.5 79 79 A A E -DE 254 308C 0 229,-2.1 229,-3.0 -2,-0.3 175,-0.3 -0.815 26.6-122.0-107.1 145.9 35.1 38.6 31.5 80 80 A E E - E 0 307C 2 173,-2.7 227,-0.3 -2,-0.4 2,-0.3 -0.589 24.8-136.9 -86.1 151.3 36.0 35.2 30.2 81 81 A V E - E 0 306C 21 225,-5.3 225,-1.2 -2,-0.2 2,-0.4 -0.819 16.2-167.0-108.8 145.5 33.3 32.6 30.1 82 82 A Y B -F 89 0D 16 7,-2.5 7,-2.8 -2,-0.3 9,-0.2 -0.997 13.1-178.8-136.2 139.8 33.5 28.9 31.1 83 83 A Q + 0 0 93 -2,-0.4 -1,-0.1 5,-0.3 4,-0.1 0.839 21.4 148.9 -92.9 -88.1 31.3 25.8 30.5 84 84 A T S S- 0 0 52 2,-0.1 3,-0.1 4,-0.0 -2,-0.0 0.953 80.7 -28.1 46.3 85.5 32.7 22.7 32.1 85 85 A R S S+ 0 0 149 1,-0.2 127,-0.0 127,-0.0 0, 0.0 0.083 129.1 41.0 63.0 170.7 29.6 20.7 33.0 86 86 A G S S- 0 0 57 2,-0.0 -1,-0.2 3,-0.0 -2,-0.1 -0.180 112.3 -54.3 53.0-149.9 26.4 22.7 33.7 87 87 A K S S- 0 0 137 -3,-0.1 -5,-0.1 -4,-0.1 0, 0.0 -0.814 70.4 -65.1-122.9 164.7 26.1 25.6 31.3 88 88 A P + 0 0 74 0, 0.0 -5,-0.3 0, 0.0 2,-0.2 -0.176 65.9 168.1 -46.8 123.0 28.3 28.5 30.2 89 89 A Q B -F 82 0D 57 -7,-2.8 -7,-2.5 2,-0.1 600,-0.0 -0.808 39.6-144.8-133.8 175.4 28.8 30.8 33.2 90 90 A T S S+ 0 0 30 -2,-0.2 162,-2.9 -9,-0.2 2,-0.3 -0.121 79.5 55.5-137.7 40.2 31.0 33.7 34.2 91 91 A R E -G 251 0E 67 160,-0.3 2,-0.3 -9,-0.2 -9,-0.1 -0.900 66.7-149.7-155.2 170.6 31.5 33.0 37.9 92 92 A Y E -G 250 0E 1 158,-3.0 158,-3.0 -2,-0.3 2,-0.3 -0.999 19.0-105.3-155.7 156.3 32.9 30.1 39.9 93 93 A Y E -G 249 0E 41 -2,-0.3 118,-1.5 156,-0.2 2,-0.5 -0.587 28.5-139.5 -80.0 137.4 32.7 28.2 43.1 94 94 A A E +GH 248 210E 1 154,-5.6 154,-1.5 -2,-0.3 153,-1.0 -0.864 36.9 171.9 -96.0 128.7 35.5 28.6 45.6 95 95 A V - 0 0 4 114,-1.7 2,-0.5 -2,-0.5 114,-0.2 -0.841 35.2-128.9-138.9 174.7 36.4 25.3 47.1 96 96 A A E -I 230 0F 1 134,-0.7 134,-3.5 -2,-0.3 112,-0.3 -0.975 23.9-174.6-126.8 124.8 38.7 23.2 49.2 97 97 A V E +IJ 229 207F 4 110,-4.6 110,-1.2 -2,-0.5 2,-0.3 -0.623 8.8 161.8-109.8 173.7 40.1 19.9 48.2 98 98 A V E -IJ 228 206F 1 130,-1.0 130,-0.8 108,-0.3 2,-0.3 -0.914 44.5 -74.4-170.3-178.1 42.1 17.3 50.1 99 99 A K E -I 227 0F 74 106,-0.7 3,-0.4 -2,-0.3 128,-0.3 -0.710 60.1 -89.7 -94.9 149.2 43.1 13.6 49.7 100 100 A K S S+ 0 0 97 126,-2.7 2,-1.7 -2,-0.3 -1,-0.1 -0.104 103.6 10.4 -56.0 149.4 40.6 11.0 50.5 101 101 A G S S+ 0 0 52 1,-0.1 -1,-0.2 -3,-0.1 126,-0.1 -0.234 78.5 131.9 81.4 -51.7 40.3 9.7 54.0 102 102 A S - 0 0 63 -2,-1.7 -2,-0.1 -3,-0.4 -1,-0.1 0.486 59.8-136.1 1.4 -81.2 42.5 12.3 55.7 103 103 A G + 0 0 41 1,-0.5 -1,-0.2 0, 0.0 -2,-0.1 -0.038 62.0 95.5 140.4 -40.2 40.0 12.9 58.5 104 104 A F - 0 0 27 4,-0.1 -1,-0.5 2,-0.1 2,-0.3 -0.139 49.4-158.0 -78.0 175.3 39.7 16.7 59.2 105 105 A Q > - 0 0 51 -3,-0.1 3,-3.1 125,-0.1 4,-0.3 -0.972 46.8 -60.8-156.4 144.1 37.1 19.0 57.8 106 106 A L G > S+ 0 0 19 -2,-0.3 3,-0.9 1,-0.3 4,-0.1 0.278 130.7 40.7 17.0 -68.0 36.9 22.8 57.3 107 107 A N G > S+ 0 0 65 1,-0.2 3,-0.9 2,-0.1 -1,-0.3 0.885 107.4 60.6 -70.4 -35.4 37.3 23.8 60.9 108 108 A Q G < S+ 0 0 115 -3,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.449 71.6 111.1 -72.9 1.6 39.9 21.3 61.9 109 109 A L G < + 0 0 2 -3,-0.9 3,-0.3 -4,-0.3 -1,-0.3 0.713 46.2 107.3 -49.8 -25.8 42.1 22.8 59.3 110 110 A Q S < S+ 0 0 118 -3,-0.9 43,-0.2 1,-0.2 3,-0.1 -0.202 76.6 26.7 -56.7 146.0 44.5 24.3 62.0 111 111 A G S S+ 0 0 44 41,-1.4 2,-0.3 1,-0.2 -1,-0.2 0.924 99.9 104.5 69.4 43.9 47.8 22.5 62.3 112 112 A V S S- 0 0 22 -3,-0.3 42,-2.9 43,-0.1 43,-0.9 -0.909 75.4 -98.0-145.9 170.9 48.1 21.2 58.7 113 113 A K B -m 155 0G 89 -2,-0.3 92,-5.1 41,-0.2 93,-1.1 -0.874 45.8-167.0 -98.0 114.9 50.0 21.9 55.4 114 114 A S E -k 206 0F 0 41,-1.5 2,-0.3 -2,-0.6 43,-0.3 -0.265 13.8-139.4 -95.2-179.5 47.8 23.9 53.0 115 115 A c E -k 207 0F 0 91,-1.1 93,-1.5 41,-0.2 2,-0.4 -0.986 15.1-175.7-145.4 128.3 48.0 24.9 49.4 116 116 A H E -k 208 0F 1 41,-1.0 3,-0.2 -2,-0.3 93,-0.1 -0.996 27.9-138.2-130.3 135.8 47.1 28.2 47.7 117 117 A T S S- 0 0 0 91,-0.6 74,-2.9 -2,-0.4 2,-0.2 0.795 83.7 -36.9 -56.4 -35.9 47.0 29.2 44.0 118 118 A G S S- 0 0 0 6,-0.4 3,-0.3 72,-0.2 -1,-0.2 -0.772 71.7 -83.9 174.0 143.3 48.7 32.5 44.8 119 119 A L S S+ 0 0 32 -2,-0.2 2,-0.4 39,-0.2 41,-0.1 -0.400 113.0 13.3 -63.5 130.5 48.7 35.1 47.5 120 120 A G S S+ 0 0 19 1,-0.3 6,-0.6 -2,-0.2 -1,-0.2 -0.419 86.2 127.0 104.8 -58.0 45.9 37.5 46.9 121 121 A R > - 0 0 37 -2,-0.4 5,-1.0 -3,-0.3 -1,-0.3 -0.009 65.1-129.9 -37.4 130.4 43.8 35.6 44.3 122 122 A S T > >S+ 0 0 0 3,-0.2 5,-1.7 1,-0.2 3,-1.6 0.961 104.0 55.3 -47.1 -56.6 40.3 35.4 45.6 123 123 A A T 3 5S+ 0 0 2 1,-0.3 -1,-0.2 3,-0.2 125,-0.1 0.840 116.7 29.1 -41.6 -64.3 40.4 31.7 44.9 124 124 A G T 3 5S+ 0 0 0 -6,-0.2 -6,-0.4 3,-0.1 -1,-0.3 -0.118 140.1 5.5 -98.9 36.7 43.4 30.6 46.8 125 125 A W T <>>S+ 0 0 13 -3,-1.6 4,-2.5 -5,-0.2 5,-0.8 -0.098 113.1 58.6-167.7 -81.1 43.3 33.2 49.5 126 126 A N H >5S+ 0 0 2 0, 0.0 4,-2.3 0, 0.0 5,-0.3 0.917 118.9 34.1 -40.7 -71.6 40.0 30.6 52.0 129 129 A I H X5S+ 0 0 5 -4,-2.5 4,-4.6 1,-0.2 -3,-0.2 0.935 119.5 55.3 -51.3 -50.0 41.5 32.7 54.6 130 130 A G H << S+ 0 0 11 -4,-2.3 3,-1.4 -5,-0.4 -2,-0.2 0.907 89.4 95.9 -77.7 -41.2 38.5 30.3 58.0 133 133 A R T 3< + 0 0 33 -4,-4.6 5,-0.2 -5,-0.3 4,-0.2 0.618 61.2 78.9 -12.3 -67.0 39.4 33.6 59.6 134 134 A P T 3 S+ 0 0 105 0, 0.0 2,-0.9 0, 0.0 3,-0.4 0.721 99.4 41.2 -18.5 -66.6 37.0 33.4 62.6 135 135 A Y S < S+ 0 0 85 -3,-1.4 -25,-0.0 1,-0.2 17,-0.0 -0.819 84.4 102.7 -93.1 111.2 39.3 31.1 64.5 136 136 A L S S- 0 0 27 -2,-0.9 -1,-0.2 2,-0.1 3,-0.1 0.464 79.4-118.3-156.0 -29.7 42.7 32.4 63.9 137 137 A N S S+ 0 0 175 -3,-0.4 2,-0.3 1,-0.3 -2,-0.1 0.627 74.9 119.4 85.1 20.2 44.2 34.4 67.0 138 138 A W - 0 0 27 -5,-0.2 -1,-0.3 -4,-0.2 -2,-0.1 -0.814 41.5-171.0-116.1 155.8 44.5 37.6 64.9 139 139 A T - 0 0 98 1,-0.4 -1,-0.1 -2,-0.3 -2,-0.0 0.534 51.4 -12.0-110.4-106.9 42.9 41.1 65.3 140 140 A G S > S- 0 0 4 194,-0.2 3,-1.1 195,-0.1 -1,-0.4 -0.645 70.9 -91.9-105.8 166.8 43.0 43.9 62.9 141 141 A P T 3 S+ 0 0 37 0, 0.0 4,-0.1 0, 0.0 192,-0.1 0.683 103.4 84.2 -39.1 -44.0 45.0 44.7 59.7 142 142 A P T 3 S+ 0 0 122 0, 0.0 3,-0.1 0, 0.0 191,-0.0 0.856 89.5 56.2 -32.0 -56.7 47.9 46.6 61.4 143 143 A E S < S- 0 0 98 -3,-1.1 5,-0.2 1,-0.1 -4,-0.1 -0.724 114.6-103.7 -82.8 99.7 49.6 43.2 62.1 144 144 A P > - 0 0 45 0, 0.0 4,-1.2 0, 0.0 -1,-0.1 0.318 14.5-131.6 -23.8 140.6 49.8 41.7 58.5 145 145 A L H > S+ 0 0 22 2,-0.2 4,-2.5 186,-0.2 5,-0.2 0.924 103.6 69.1 -65.3 -44.1 47.4 39.0 57.6 146 146 A Q H > S+ 0 0 50 1,-0.2 4,-3.8 2,-0.2 5,-0.3 0.897 97.3 50.7 -38.9 -60.4 50.3 36.9 56.4 147 147 A K H > S+ 0 0 77 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.934 111.4 48.3 -42.2 -65.8 51.6 36.4 59.9 148 148 A A H >< S+ 0 0 14 -4,-1.2 3,-0.5 -5,-0.2 -1,-0.2 0.910 118.3 38.8 -38.5 -67.5 48.2 35.3 61.0 149 149 A V H >X S+ 0 0 3 -4,-2.5 3,-2.9 1,-0.2 4,-1.2 0.970 111.4 61.5 -47.1 -69.2 47.7 32.9 58.2 150 150 A A H 3< S+ 0 0 1 -4,-3.8 -1,-0.2 1,-0.3 -2,-0.2 0.722 112.6 34.3 -25.1 -51.6 51.4 32.0 58.4 151 151 A N T << S+ 0 0 113 -4,-2.7 -1,-0.3 -3,-0.5 -2,-0.2 -0.087 104.2 70.6-111.0 40.5 51.1 30.7 62.0 152 152 A F T <4 S+ 0 0 12 -3,-2.9 -41,-1.4 -5,-0.1 -2,-0.2 0.659 104.0 42.6-107.6 -51.6 47.6 29.3 61.8 153 153 A F S < S- 0 0 14 -4,-1.2 -40,-0.2 -43,-0.2 3,-0.1 0.052 90.2-114.9 -79.3-169.0 48.7 26.4 59.5 154 154 A S S S- 0 0 54 -42,-2.9 2,-0.2 1,-0.5 -41,-0.2 0.784 80.4 -59.9 -95.8 -44.2 51.9 24.3 59.8 155 155 A A B +m 113 0G 4 -43,-0.9 -41,-1.5 13,-0.1 -1,-0.5 -0.859 60.4 166.5-173.4-157.7 53.2 25.7 56.5 156 156 A S - 0 0 0 12,-1.0 16,-1.0 -2,-0.2 17,-0.6 -0.964 40.1 -88.3 154.0-166.7 52.3 25.9 52.8 157 157 A d B +N 170 0H 3 -2,-0.3 -41,-1.0 -43,-0.3 13,-0.2 -0.778 34.5 171.6-146.2 96.0 53.2 27.6 49.6 158 158 A V > - 0 0 0 11,-2.0 3,-4.2 -2,-0.3 -39,-0.2 -0.666 26.6-147.6-105.3 77.2 51.4 30.9 48.8 159 159 A P T 3 S+ 0 0 0 0, 0.0 -1,-0.3 0, 0.0 24,-0.2 0.533 89.3 36.5 -6.9 -99.6 53.2 32.2 45.8 160 160 A e T 3 S+ 0 0 31 22,-0.2 23,-0.1 -41,-0.1 10,-0.1 0.583 94.4 116.9 -46.2 -9.3 53.2 35.9 46.0 161 161 A A S < S- 0 0 8 -3,-4.2 2,-0.6 8,-0.1 22,-0.1 -0.097 73.3-108.1 -58.6 162.3 53.6 35.6 49.8 162 162 A D > - 0 0 52 1,-0.1 4,-1.1 2,-0.0 8,-0.1 -0.856 29.7-179.2 -99.1 111.2 56.8 37.1 51.5 163 163 A G T 4 + 0 0 32 -2,-0.6 -1,-0.1 2,-0.2 7,-0.1 0.803 69.9 82.0 -77.2 -27.9 59.3 34.4 52.7 164 164 A K T 4 S+ 0 0 172 1,-0.2 -1,-0.1 3,-0.0 -2,-0.0 0.912 113.7 11.0 -39.0 -75.6 61.6 37.1 54.0 165 165 A Q T 4 S+ 0 0 118 1,-0.1 -1,-0.2 2,-0.0 -2,-0.2 0.845 128.3 68.1 -76.9 -33.0 59.8 37.7 57.3 166 166 A Y < - 0 0 21 -4,-1.1 4,-0.2 1,-0.2 -1,-0.1 -0.733 57.4-176.7 -97.1 132.9 57.6 34.7 56.9 167 167 A P S > S+ 0 0 75 0, 0.0 3,-2.5 0, 0.0 4,-0.2 0.833 72.9 34.0 -83.3 -99.1 58.8 31.1 57.0 168 168 A N T >> S+ 0 0 28 1,-0.3 3,-4.4 2,-0.2 -12,-1.0 0.693 103.8 71.8 -22.0 -58.4 56.3 28.4 56.4 169 169 A L T 34 S+ 0 0 1 1,-0.3 -11,-2.0 -14,-0.2 -1,-0.3 0.750 111.4 30.4 -41.2 -35.5 54.2 30.3 53.9 170 170 A f B <4 S+N 157 0H 12 -3,-2.5 -1,-0.3 -4,-0.2 -2,-0.2 0.167 104.4 87.7-112.3 19.1 56.9 29.9 51.3 171 171 A R T <4 S+ 0 0 161 -3,-4.4 -14,-0.2 -15,-0.6 -2,-0.2 0.982 79.8 48.7 -78.1 -72.9 58.2 26.7 52.6 172 172 A L S < S+ 0 0 29 -16,-1.0 -15,-0.2 -4,-0.7 -1,-0.2 0.627 88.3 120.0 -46.3 -14.2 56.3 23.9 50.9 173 173 A d - 0 0 12 -17,-0.6 16,-0.1 1,-0.1 7,-0.1 0.068 59.0-147.7 -49.7 163.6 56.9 25.6 47.6 174 174 A A + 0 0 52 14,-0.9 -1,-0.1 5,-0.1 15,-0.1 0.334 46.6 140.0-116.5 1.5 58.8 23.8 44.8 175 175 A G - 0 0 10 13,-0.3 5,-0.4 3,-0.1 12,-0.1 -0.114 50.0-127.6 -47.5 138.0 60.5 26.8 43.3 176 176 A T - 0 0 99 3,-0.2 4,-0.4 10,-0.1 -1,-0.0 0.591 65.5 -26.2 -63.1-135.1 64.0 26.2 42.3 177 177 A E S S- 0 0 191 1,-0.2 3,-0.2 2,-0.2 -2,-0.0 0.933 131.9 -26.0 -44.9 -90.4 66.9 28.4 43.4 178 178 A A S S+ 0 0 96 1,-0.1 -1,-0.2 3,-0.0 9,-0.1 0.259 121.6 94.4-110.1 5.9 65.3 31.8 44.1 179 179 A D > + 0 0 45 7,-0.1 3,-0.7 -5,-0.1 2,-0.3 0.381 61.4 116.2 -77.6 4.2 62.6 31.0 41.6 180 180 A K T 3 S+ 0 0 82 -5,-0.4 7,-0.1 -4,-0.4 6,-0.1 -0.571 75.4 10.2 -80.9 136.2 60.6 29.8 44.6 181 181 A f T 3 S+ 0 0 21 -2,-0.3 2,-0.4 1,-0.2 -1,-0.2 0.865 81.4 167.9 65.7 42.3 57.4 31.7 45.5 182 182 A A < - 0 0 25 -3,-0.7 2,-0.5 2,-0.2 -22,-0.2 -0.744 41.0-134.9 -90.8 130.1 57.1 33.7 42.3 183 183 A e S S+ 0 0 24 -2,-0.4 -141,-0.7 -24,-0.2 2,-0.3 0.090 89.1 54.4 -73.0 27.7 53.8 35.5 41.8 184 184 A S S S- 0 0 10 -2,-0.5 3,-0.3 -143,-0.1 -2,-0.2 -0.838 112.3 -72.3-146.5 177.5 54.0 34.2 38.2 185 185 A S S S+ 0 0 1 -2,-0.3 5,-0.3 1,-0.2 4,-0.1 0.833 107.5 84.6 -45.4 -45.2 54.4 30.9 36.4 186 186 A Q S S+ 0 0 70 2,-0.1 -1,-0.2 -5,-0.1 -10,-0.1 0.805 80.1 60.5 -25.8 -83.5 58.1 30.5 37.3 187 187 A E S > S- 0 0 0 -3,-0.3 3,-0.9 -12,-0.1 2,-0.2 -0.337 95.5-127.2 -54.4 124.7 57.7 29.0 40.7 188 188 A P T 3 S+ 0 0 58 0, 0.0 -14,-0.9 0, 0.0 -13,-0.3 -0.557 91.8 48.5 -77.6 143.9 55.8 25.7 40.1 189 189 A Y T 3 S+ 0 0 26 1,-0.5 6,-0.4 -2,-0.2 2,-0.3 0.148 81.4 125.3 107.6 -10.1 52.6 25.1 42.2 190 190 A F <> + 0 0 29 -3,-0.9 -1,-0.5 -5,-0.3 4,-0.5 -0.614 57.3 31.3 -79.1 136.7 51.5 28.7 41.3 191 191 A G H > S- 0 0 6 -74,-2.9 4,-1.7 -2,-0.3 5,-0.1 -0.406 104.7 -69.0 106.5 175.8 48.1 28.7 39.7 192 192 A Y H > S+ 0 0 0 2,-0.2 4,-1.9 3,-0.1 5,-0.1 0.978 133.1 43.0 -68.7 -55.7 45.0 26.5 40.1 193 193 A S H >> S+ 0 0 7 2,-0.2 4,-1.9 1,-0.2 3,-0.9 0.973 115.6 48.5 -52.1 -61.6 46.6 23.4 38.5 194 194 A G H >X S+ 0 0 15 -4,-0.5 4,-1.7 1,-0.3 3,-0.8 0.931 109.1 51.7 -43.3 -62.4 49.9 23.9 40.3 195 195 A A H 3X S+ 0 0 1 -4,-1.7 4,-0.8 -6,-0.4 -1,-0.3 0.836 103.3 60.2 -47.2 -36.4 48.4 24.3 43.6 196 196 A F H XX S+ 0 0 0 -4,-1.9 4,-2.1 -3,-0.9 3,-1.5 0.967 102.7 52.8 -58.2 -47.3 46.4 21.2 43.0 197 197 A K H -H 94 0E 8 -116,-0.2 3,-2.6 -2,-0.2 4,-0.3 -0.274 48.4-106.4 -68.7 149.4 38.5 26.2 41.4 211 211 A D T 3 S+ 0 0 21 -118,-1.5 31,-0.2 1,-0.3 -1,-0.1 0.498 121.5 33.9 -53.4 -5.2 35.2 24.4 41.2 212 212 A S T 3> S+ 0 0 10 -119,-0.2 4,-1.2 2,-0.1 -1,-0.3 0.037 84.9 110.1-142.5 30.6 36.6 22.6 38.1 213 213 A T H X> S+ 0 0 2 -3,-2.6 4,-1.2 2,-0.2 3,-1.0 0.982 75.9 45.4 -69.1 -82.3 40.3 22.2 38.9 214 214 A V H >> S+ 0 0 8 -4,-0.3 4,-2.5 1,-0.3 3,-0.7 0.792 108.7 59.0 -21.2 -71.2 40.8 18.5 39.4 215 215 A F H 34 S+ 0 0 58 1,-0.3 -1,-0.3 2,-0.2 -2,-0.2 0.820 102.5 52.8 -29.8 -64.3 38.8 17.6 36.4 216 216 A E H << S+ 0 0 61 -4,-1.2 -1,-0.3 -3,-1.0 -2,-0.2 0.910 121.7 30.2 -41.8 -58.6 41.0 19.5 34.1 217 217 A N H << S+ 0 0 40 -4,-1.2 -2,-0.2 -3,-0.7 -1,-0.2 0.989 118.6 52.4 -69.1 -62.1 44.0 17.7 35.4 218 218 A L < + 0 0 9 -4,-2.5 -1,-0.2 1,-0.2 0, 0.0 -0.673 59.9 161.6 -82.8 103.8 42.7 14.3 36.4 219 219 A P + 0 0 87 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.966 47.8 82.0 -81.7 -75.3 40.8 12.8 33.5 220 220 A D S > S- 0 0 112 1,-0.2 4,-0.8 4,-0.1 3,-0.0 -0.024 75.7-138.2 -36.0 109.4 40.5 9.0 34.1 221 221 A E H > S+ 0 0 133 1,-0.2 4,-1.3 2,-0.1 -1,-0.2 0.822 92.0 77.1 -41.9 -36.7 37.6 8.6 36.5 222 222 A A H >4 S+ 0 0 82 2,-0.2 3,-1.2 1,-0.1 4,-0.2 0.906 102.4 23.1 -40.5 -91.8 39.8 6.1 38.2 223 223 A E H >4 S+ 0 0 56 1,-0.2 3,-3.6 2,-0.2 4,-0.2 0.938 106.7 81.5 -40.9 -72.6 42.4 8.0 40.2 224 224 A R H >< S+ 0 0 35 -4,-0.8 3,-1.6 1,-0.3 -1,-0.2 0.474 83.8 59.8 -0.1 -60.1 40.2 11.1 40.4 225 225 A D T << S+ 0 0 75 -4,-1.3 -1,-0.3 -3,-1.2 -2,-0.2 0.618 78.6 91.9 -61.0 -8.3 38.2 9.6 43.2 226 226 A K T < S+ 0 0 123 -3,-3.6 -126,-2.7 -4,-0.2 2,-0.3 0.646 86.4 51.2 -62.2 -14.6 41.3 9.4 45.3 227 227 A Y E < S-I 99 0F 14 -3,-1.6 12,-0.3 -128,-0.3 -128,-0.2 -0.891 72.0-154.2-123.1 154.8 40.6 12.9 46.7 228 228 A E E -I 98 0F 42 -130,-0.8 -130,-1.0 -2,-0.3 2,-0.4 -0.408 16.7-112.1-113.5-168.4 37.5 14.4 48.3 229 229 A L E -IL 97 237F 9 8,-1.3 8,-2.5 -132,-0.2 2,-0.4 -0.989 17.4-131.4-135.9 131.8 36.0 17.9 48.6 230 230 A L E -IL 96 236F 2 -134,-3.5 -134,-0.7 -2,-0.4 17,-0.2 -0.659 21.3-169.1 -85.4 129.9 35.5 20.0 51.7 231 231 A g E >> - L 0 235F 0 4,-2.3 4,-1.3 -2,-0.4 3,-1.1 -0.924 33.4-118.0-115.1 142.8 32.0 21.6 52.2 232 232 A P T 34 S+ 0 0 48 0, 0.0 4,-0.1 0, 0.0 13,-0.1 0.517 100.6 87.9 -56.7 -3.3 31.3 24.3 54.8 233 233 A D T 34 S- 0 0 69 2,-0.2 3,-0.1 1,-0.1 12,-0.0 0.338 114.0-105.4 -81.3 12.4 28.9 22.0 56.6 234 234 A N T <4 S+ 0 0 77 -3,-1.1 2,-0.3 1,-0.3 -1,-0.1 0.936 92.7 83.7 63.3 49.4 31.9 20.8 58.4 235 235 A T E < S-L 231 0F 56 -4,-1.3 -4,-2.3 -6,-0.0 -1,-0.3 -0.932 76.3-102.9-164.0 173.4 32.0 17.6 56.5 236 236 A R E -L 230 0F 45 -2,-0.3 -6,-0.2 -6,-0.2 -131,-0.0 -0.716 29.7-174.7-109.5 160.7 33.4 16.2 53.2 237 237 A K E -L 229 0F 71 -8,-2.5 -8,-1.3 -2,-0.3 4,-0.1 -0.990 36.7 -71.9-153.5 153.9 31.6 15.4 49.9 238 238 A P - 0 0 80 0, 0.0 -10,-0.1 0, 0.0 -1,-0.1 0.044 47.3-113.5 -43.0 153.2 32.4 13.8 46.4 239 239 A V S S+ 0 0 12 -12,-0.3 2,-0.7 1,-0.2 3,-0.3 0.960 112.2 53.8 -54.2 -84.4 34.5 15.9 44.1 240 240 A D S S+ 0 0 64 1,-0.2 -1,-0.2 2,-0.1 -28,-0.1 -0.320 88.0 87.7 -55.3 101.6 31.8 16.5 41.5 241 241 A A >> + 0 0 16 -2,-0.7 3,-1.2 4,-0.2 4,-1.0 0.181 39.9 131.7 176.9 13.1 29.4 17.9 44.1 242 242 A F T 34 + 0 0 14 -3,-0.3 -2,-0.1 1,-0.2 -31,-0.1 0.289 53.8 81.9 -71.1 14.1 30.3 21.5 44.2 243 243 A K T 34 S+ 0 0 72 1,-0.1 -1,-0.2 -150,-0.0 3,-0.1 0.872 114.2 14.0 -83.3 -40.4 26.7 22.8 43.9 244 244 A E T <4 S+ 0 0 144 -3,-1.2 2,-0.5 1,-0.1 -2,-0.2 0.362 125.6 70.6-110.4 -3.9 25.9 22.3 47.6 245 245 A g < + 0 0 0 -4,-1.0 2,-0.2 -14,-0.1 -4,-0.2 -0.974 68.9 97.5-119.3 113.8 29.6 21.9 48.5 246 246 A H - 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0 0 121 -4,-0.7 -3,-0.3 -3,-0.5 -2,-0.1 0.932 68.8 -56.0 66.0 46.4 23.5 58.4 67.2 367 367 A R T 3 S- 0 0 34 1,-0.1 4,-0.9 -26,-0.1 -25,-0.1 -0.101 86.4-114.4 -58.9 166.7 21.3 61.0 40.1 377 377 A T H >> S+ 0 0 18 2,-0.2 3,-1.7 1,-0.2 4,-1.7 0.951 119.8 58.7 -67.6 -48.6 19.0 58.6 41.9 378 378 A E H 3> S+ 0 0 44 1,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.923 99.4 59.2 -44.3 -49.5 20.3 55.8 39.7 379 379 A E H 3> S+ 0 0 90 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.833 102.3 53.0 -51.3 -35.7 23.7 56.7 41.1 380 380 A h H X S+ 0 0 2 -4,-1.7 3,-2.9 2,-0.2 4,-2.0 0.919 101.8 58.3 -38.3 -67.0 21.2 52.5 43.6 382 382 A A H >X S+ 0 0 12 -4,-1.6 4,-2.1 1,-0.3 3,-1.7 0.850 100.7 54.8 -25.9 -77.1 24.6 51.4 42.2 383 383 A L H 3X>S+ 0 0 31 -4,-1.2 6,-1.8 1,-0.3 4,-1.6 0.718 107.9 50.2 -35.2 -36.0 26.3 52.0 45.5 384 384 A V H <<5S+ 0 0 9 -3,-2.9 -1,-0.3 -4,-1.1 -2,-0.2 0.916 110.6 47.8 -74.2 -40.2 23.9 49.8 47.1 385 385 A L H <<5S+ 0 0 30 -4,-2.0 -63,-1.1 -3,-1.7 -2,-0.3 0.761 115.3 48.7 -67.6 -20.2 24.5 47.2 44.5 386 386 A K H <5S- 0 0 21 -4,-2.1 -2,-0.2 -5,-0.4 -1,-0.2 0.730 112.1-123.8 -89.0 -25.1 28.2 47.9 45.3 387 387 A G T <5S+ 0 0 16 -4,-1.6 -3,-0.2 -5,-0.4 -4,-0.1 0.326 85.6 110.8 99.9 -9.9 27.7 47.7 49.0 388 388 A E S - 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