==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN TRANSPORT 30-SEP-10 3P1W . COMPND 2 MOLECULE: RABGDI PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM 3D7; . AUTHOR A.K.WERNIMONT,A.M.NECULAI,J.WEADGE,F.MACKENZIE,D.COSSAR,W.TE . 442 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20032.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 292 66.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 6.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 69 15.6 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 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 19 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 98 22.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.6 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 1 2 0 1 2 0 1 0 2 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 1 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 2 2 1 2 0 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 0 0 0 2 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 Q 0 0 168 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -66.3 -4.7 47.3 45.5 2 2 A G - 0 0 43 1,-0.2 282,-0.1 282,-0.0 0, 0.0 -0.092 360.0 -76.4 -76.5 165.8 -1.6 45.3 46.7 3 3 A E - 0 0 112 280,-0.5 282,-3.1 1,-0.0 2,-0.4 -0.312 51.1-164.1 -54.7 138.7 1.1 43.5 44.8 4 4 A H E +a 285 0A 79 280,-0.2 2,-0.3 -3,-0.1 282,-0.2 -0.995 12.3 177.4-137.1 134.6 -0.0 40.1 43.4 5 5 A Y E -a 286 0A 28 280,-2.2 282,-0.9 -2,-0.4 283,-0.2 -0.918 34.5-133.7-128.8 153.4 1.9 37.0 42.1 6 6 A D E S+ 0 0 43 23,-2.2 282,-1.3 -2,-0.3 281,-1.0 0.954 98.0 8.0 -65.6 -49.3 0.9 33.6 40.9 7 7 A V E -ab 288 30A 0 22,-1.6 24,-1.4 280,-0.2 2,-0.5 -0.998 62.2-157.9-136.0 134.6 3.6 32.0 43.1 8 8 A I E -ab 289 31A 0 280,-2.2 282,-2.0 -2,-0.4 2,-0.5 -0.957 17.6-156.7-106.2 133.7 5.9 33.5 45.7 9 9 A I E -ab 290 32A 0 22,-2.9 24,-2.7 -2,-0.5 2,-0.5 -0.940 2.3-158.6-115.5 129.6 9.1 31.4 46.2 10 10 A L E +ab 291 33A 0 280,-2.6 282,-1.1 -2,-0.5 24,-0.2 -0.957 60.6 23.0-116.3 121.8 11.0 31.5 49.4 11 11 A G - 0 0 0 22,-2.8 22,-0.1 -2,-0.5 23,-0.1 0.065 65.5-127.2 102.5 144.4 14.7 30.4 49.4 12 12 A T + 0 0 0 26,-0.2 28,-0.2 4,-0.1 -1,-0.1 -0.006 56.1 141.1-114.8 31.8 17.1 30.2 46.5 13 13 A G S > S- 0 0 2 1,-0.1 4,-2.4 26,-0.1 5,-0.2 -0.183 71.8 -95.9 -57.7 161.2 18.2 26.6 47.0 14 14 A L H > S+ 0 0 2 26,-0.5 4,-2.7 1,-0.2 5,-0.2 0.901 124.6 52.0 -53.7 -47.2 18.6 24.7 43.7 15 15 A K H > S+ 0 0 2 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.919 110.8 48.1 -58.7 -44.6 15.1 23.2 43.7 16 16 A E H > S+ 0 0 1 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.899 112.6 48.7 -61.3 -44.1 13.5 26.7 44.3 17 17 A C H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.926 112.3 48.0 -62.3 -45.6 15.6 28.2 41.5 18 18 A I H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.930 113.4 47.1 -62.1 -45.9 14.7 25.4 39.0 19 19 A L H X S+ 0 0 0 -4,-2.6 4,-2.6 -5,-0.2 -1,-0.2 0.895 110.5 52.7 -63.6 -40.1 11.0 25.6 39.9 20 20 A S H X S+ 0 0 0 -4,-2.4 4,-2.8 -5,-0.2 5,-0.2 0.909 108.7 51.5 -59.4 -43.6 11.1 29.4 39.5 21 21 A G H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.928 110.9 46.7 -57.1 -50.3 12.7 28.9 36.1 22 22 A L H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.875 113.0 49.2 -60.7 -42.8 9.9 26.5 35.0 23 23 A L H <>S+ 0 0 0 -4,-2.6 5,-2.9 2,-0.2 -2,-0.2 0.935 113.6 45.9 -62.6 -47.4 7.2 28.9 36.3 24 24 A S H ><5S+ 0 0 10 -4,-2.8 3,-1.3 1,-0.2 -2,-0.2 0.879 111.4 53.6 -62.8 -39.2 8.7 31.9 34.5 25 25 A H H 3<5S+ 0 0 77 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.899 107.3 50.5 -62.3 -40.4 9.1 29.8 31.4 26 26 A Y T 3<5S- 0 0 93 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.112 125.2 -99.9 -90.5 21.5 5.4 28.8 31.4 27 27 A G T < 5S+ 0 0 66 -3,-1.3 -3,-0.2 1,-0.2 2,-0.2 0.598 70.8 148.5 82.5 14.6 4.3 32.4 31.7 28 28 A K < - 0 0 75 -5,-2.9 2,-0.6 -6,-0.2 -1,-0.2 -0.527 48.4-122.9 -85.3 150.3 3.6 32.6 35.5 29 29 A K + 0 0 119 -2,-0.2 -23,-2.2 2,-0.0 -22,-1.6 -0.844 43.8 172.2 -93.7 119.5 4.1 35.8 37.5 30 30 A I E -b 7 0A 17 -2,-0.6 2,-0.4 -25,-0.2 -22,-0.2 -0.871 31.1-158.1-132.4 158.0 6.5 35.1 40.4 31 31 A L E -b 8 0A 14 -24,-1.4 -22,-2.9 -2,-0.3 2,-0.5 -0.995 13.9-157.9-131.5 134.3 8.5 36.8 43.1 32 32 A V E -bc 9 256A 0 223,-2.0 225,-1.7 -2,-0.4 2,-0.4 -0.975 14.7-178.5-118.8 122.5 11.6 35.0 44.6 33 33 A L E -bc 10 257A 11 -24,-2.7 -22,-2.8 -2,-0.5 2,-0.4 -0.953 8.9-177.7-124.8 142.4 12.7 36.1 48.1 34 34 A D - 0 0 1 223,-2.1 226,-2.6 -2,-0.4 225,-0.2 -0.996 23.7-149.7-141.7 131.6 15.6 35.0 50.3 35 35 A R S S+ 0 0 86 -2,-0.4 226,-0.1 224,-0.3 -1,-0.1 0.742 77.0 85.4 -65.9 -25.8 16.5 36.1 53.9 36 36 A N S S- 0 0 34 2,-0.2 223,-2.4 224,-0.1 224,-0.3 -0.350 79.9-129.6 -79.4 159.3 20.2 35.5 53.2 37 37 A P S S+ 0 0 89 0, 0.0 2,-0.3 0, 0.0 221,-0.1 0.369 93.2 51.2 -86.0 6.6 22.7 37.9 51.6 38 38 A Y S S- 0 0 115 3,-0.0 3,-0.4 6,-0.0 -2,-0.2 -0.921 86.8-110.8-136.7 157.7 23.9 35.2 49.2 39 39 A Y S S+ 0 0 57 -2,-0.3 6,-0.4 1,-0.2 -26,-0.1 -0.498 82.7 54.5 -83.3 157.3 22.1 32.8 46.8 40 40 A G > - 0 0 2 -28,-0.2 3,-2.3 4,-0.2 -26,-0.5 0.119 66.3-153.1 118.0 -18.7 21.8 29.1 47.1 41 41 A G G > S- 0 0 10 -3,-0.4 3,-1.5 1,-0.3 -30,-0.0 -0.262 83.1 -5.8 49.0-126.8 20.3 28.3 50.6 42 42 A E G 3 S+ 0 0 88 1,-0.3 -1,-0.3 33,-0.0 -29,-0.0 0.702 141.3 56.2 -68.2 -20.7 21.5 24.9 51.7 43 43 A T G < S+ 0 0 5 -3,-2.3 -1,-0.3 32,-0.1 -2,-0.2 0.066 82.2 146.1 -96.3 24.2 23.1 24.4 48.3 44 44 A A < - 0 0 3 -3,-1.5 31,-2.4 30,-0.1 2,-0.5 -0.193 46.3-131.2 -62.8 153.2 25.2 27.6 48.5 45 45 A S E -G 74 0B 40 -6,-0.4 2,-0.4 29,-0.2 29,-0.3 -0.918 25.3-159.2-104.4 127.8 28.6 27.9 47.0 46 46 A L E -G 73 0B 14 27,-2.6 27,-3.2 -2,-0.5 2,-0.1 -0.879 9.6-150.7-114.1 138.5 31.4 29.2 49.3 47 47 A N > - 0 0 45 -2,-0.4 4,-2.5 25,-0.2 5,-0.2 -0.221 47.7 -85.3 -82.2-172.3 34.8 30.8 48.7 48 48 A L H > S+ 0 0 3 20,-0.2 4,-2.7 2,-0.2 5,-0.3 0.945 127.4 51.0 -63.2 -51.0 37.7 30.5 51.1 49 49 A T H > S+ 0 0 47 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.919 116.2 41.6 -50.9 -46.1 36.6 33.4 53.3 50 50 A N H > S+ 0 0 75 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.879 111.3 54.3 -78.6 -31.3 33.1 32.1 53.6 51 51 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 5,-0.4 0.953 115.7 41.0 -62.0 -47.2 34.1 28.4 54.1 52 52 A Y H X S+ 0 0 2 -4,-2.7 4,-2.2 1,-0.2 7,-0.2 0.894 113.6 51.6 -70.3 -40.6 36.3 29.4 57.0 53 53 A N H < S+ 0 0 95 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.869 115.8 43.9 -61.0 -36.3 33.9 32.0 58.4 54 54 A T H < S+ 0 0 85 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.905 132.6 14.2 -76.7 -44.9 31.2 29.3 58.3 55 55 A F H < S+ 0 0 44 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.687 137.7 26.9-106.9 -29.0 33.1 26.3 59.7 56 56 A K >< + 0 0 37 -4,-2.2 3,-1.8 -5,-0.4 -2,-0.1 -0.429 64.0 157.6-137.0 57.5 36.3 27.6 61.2 57 57 A P T 3 S+ 0 0 90 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.629 72.9 56.3 -65.0 -15.8 35.5 31.2 62.3 58 58 A K T 3 S+ 0 0 205 -6,-0.1 2,-0.3 -3,-0.1 -5,-0.1 0.550 97.2 84.5 -89.3 -6.7 38.4 31.2 64.9 59 59 A E S < S- 0 0 95 -3,-1.8 2,-0.2 -7,-0.2 -3,-0.1 -0.686 74.6-124.2-105.9 146.9 41.1 30.4 62.4 60 60 A N - 0 0 150 -2,-0.3 -2,-0.1 1,-0.1 -1,-0.0 -0.552 38.9-108.9 -73.5 148.0 43.2 32.3 59.9 61 61 A I - 0 0 58 -2,-0.2 -1,-0.1 1,-0.1 2,-0.1 -0.696 40.1-108.0 -78.6 127.6 42.9 31.0 56.3 62 62 A P > - 0 0 35 0, 0.0 3,-1.8 0, 0.0 4,-0.2 -0.346 18.3-134.9 -57.9 132.2 46.1 29.2 55.4 63 63 A S G > S+ 0 0 120 1,-0.3 3,-1.9 2,-0.2 -2,-0.0 0.789 98.9 71.8 -54.8 -32.4 48.2 31.3 52.9 64 64 A K G 3 S+ 0 0 120 1,-0.3 -1,-0.3 2,-0.0 -3,-0.0 0.659 86.5 65.7 -63.7 -15.2 48.9 28.2 50.8 65 65 A Y G < S- 0 0 1 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.576 91.4-160.4 -86.0 -9.5 45.2 28.2 49.6 66 66 A G < - 0 0 44 -3,-1.9 -1,-0.2 -4,-0.2 2,-0.1 -0.276 38.2 -1.8 73.5-150.8 45.7 31.5 47.7 67 67 A E > - 0 0 117 1,-0.1 3,-1.5 -19,-0.0 4,-0.3 -0.447 61.2-117.5 -88.0 153.5 42.9 33.8 46.6 68 68 A N G > S+ 0 0 56 1,-0.2 3,-1.9 2,-0.2 -20,-0.2 0.774 104.3 71.8 -51.8 -35.5 39.2 33.5 47.0 69 69 A R G 3 S+ 0 0 174 1,-0.3 -1,-0.2 -22,-0.1 -3,-0.0 0.703 92.3 57.1 -63.0 -20.2 38.5 33.5 43.2 70 70 A H G < S+ 0 0 46 -3,-1.5 2,-0.5 -5,-0.1 -1,-0.3 0.616 96.6 77.8 -81.4 -15.9 39.9 29.9 42.9 71 71 A W < + 0 0 0 -3,-1.9 2,-0.2 -4,-0.3 285,-0.2 -0.879 39.1 156.7-109.1 122.9 37.5 28.5 45.4 72 72 A N - 0 0 43 283,-2.0 2,-0.8 -2,-0.5 -25,-0.2 -0.715 20.4-177.3-137.6 83.9 33.9 27.7 44.7 73 73 A V E -G 46 0B 6 -27,-3.2 -27,-2.6 -2,-0.2 2,-0.3 -0.760 15.2-149.0 -96.7 105.9 32.9 25.0 47.3 74 74 A D E -G 45 0B 3 -2,-0.8 -29,-0.2 -29,-0.3 -30,-0.1 -0.531 6.8-147.9 -67.9 131.5 29.4 23.7 47.0 75 75 A L S S+ 0 0 17 -31,-2.4 -1,-0.2 1,-0.3 -32,-0.1 0.853 99.4 27.8 -64.5 -32.8 27.9 22.7 50.4 76 76 A I S S- 0 0 7 -32,-0.3 2,-0.8 -33,-0.1 -1,-0.3 -0.717 80.2-172.3-133.0 77.7 26.0 20.0 48.5 77 77 A P + 0 0 10 0, 0.0 2,-0.5 0, 0.0 287,-0.1 -0.640 10.7 174.2 -78.5 110.1 27.9 19.0 45.4 78 78 A K - 0 0 3 -2,-0.8 343,-0.3 344,-0.0 342,-0.1 -0.983 23.4-137.0-115.9 127.8 25.7 16.7 43.4 79 79 A F B -h 421 0C 0 341,-3.1 343,-1.8 -2,-0.5 2,-0.5 -0.389 19.2-127.1 -78.0 159.4 26.7 15.5 40.0 80 80 A I E -I 233 0D 2 153,-2.6 153,-2.5 341,-0.2 2,-0.3 -0.918 11.6-126.3-119.5 124.9 24.1 15.4 37.1 81 81 A L E > -I 232 0D 32 -2,-0.5 3,-1.9 151,-0.2 6,-0.4 -0.546 18.2-137.0 -70.3 124.1 23.3 12.4 34.9 82 82 A V T 3 S+ 0 0 30 149,-3.0 -1,-0.1 -2,-0.3 150,-0.1 0.871 104.2 39.8 -49.6 -41.4 23.7 13.4 31.2 83 83 A G T 3 S+ 0 0 19 148,-0.3 -1,-0.3 136,-0.2 -2,-0.1 0.351 97.9 105.2 -93.3 5.7 20.5 11.6 30.3 84 84 A G S <> S- 0 0 16 -3,-1.9 4,-0.9 1,-0.1 3,-0.1 -0.160 82.7-100.4 -81.0-178.2 18.5 12.6 33.4 85 85 A N H > S+ 0 0 55 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.732 111.1 65.9 -77.9 -28.6 15.7 15.1 33.8 86 86 A L H > S+ 0 0 4 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.926 103.0 51.0 -60.7 -42.5 17.6 18.1 35.3 87 87 A V H > S+ 0 0 22 -6,-0.4 4,-1.8 2,-0.2 -1,-0.2 0.913 110.4 49.0 -57.9 -42.3 19.4 18.3 32.0 88 88 A K H X S+ 0 0 92 -4,-0.9 4,-2.8 1,-0.2 -2,-0.2 0.904 111.4 49.8 -64.5 -41.7 16.1 18.3 30.1 89 89 A I H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.902 109.8 49.9 -61.9 -43.5 14.7 21.0 32.4 90 90 A L H <>S+ 0 0 1 -4,-2.8 5,-1.8 2,-0.2 6,-1.6 0.827 112.2 49.2 -66.9 -32.8 17.8 23.2 31.9 91 91 A K H ><5S+ 0 0 139 -4,-1.8 3,-1.2 -5,-0.2 -2,-0.2 0.963 111.6 47.9 -66.3 -54.5 17.4 22.7 28.1 92 92 A K H 3<5S+ 0 0 57 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.885 115.4 43.6 -52.7 -46.8 13.7 23.6 28.2 93 93 A T T 3<5S- 0 0 2 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.493 107.2-127.5 -81.0 -5.8 14.2 26.7 30.4 94 94 A R T < 5S+ 0 0 74 -3,-1.2 -3,-0.2 -4,-0.4 -4,-0.1 0.834 75.2 121.7 61.2 36.0 17.3 27.7 28.3 95 95 A V > < + 0 0 0 -5,-1.8 3,-2.2 -6,-0.2 4,-0.4 0.655 47.2 87.4 -94.7 -19.3 19.5 28.1 31.3 96 96 A T G > S+ 0 0 25 -6,-1.6 3,-1.4 1,-0.3 -1,-0.1 0.803 83.4 57.4 -46.0 -39.8 22.0 25.5 30.1 97 97 A N G 3 S+ 0 0 137 1,-0.3 -1,-0.3 -7,-0.2 -2,-0.1 0.527 91.3 66.7 -82.3 -9.0 24.0 28.1 28.1 98 98 A Y G < S+ 0 0 118 -3,-2.2 2,-0.3 144,-0.0 -1,-0.3 0.532 104.2 60.5 -77.8 -9.3 24.7 30.3 31.2 99 99 A L S < S- 0 0 21 -3,-1.4 2,-0.5 -4,-0.4 138,-0.1 -0.876 73.9-141.2-120.9 153.1 26.8 27.4 32.3 100 100 A E - 0 0 126 -2,-0.3 136,-3.1 136,-0.3 2,-0.4 -0.958 25.8-148.4-109.4 128.6 29.8 25.5 31.0 101 101 A W E -J 235 0D 41 -2,-0.5 2,-0.4 134,-0.2 132,-0.0 -0.840 14.4-174.3-105.7 134.1 29.6 21.8 31.6 102 102 A L E -J 234 0D 53 132,-2.4 132,-1.9 -2,-0.4 2,-0.1 -0.988 27.7-112.6-127.9 139.5 32.5 19.5 32.2 103 103 A V E -J 233 0D 14 -2,-0.4 2,-0.4 130,-0.2 130,-0.3 -0.353 27.2-116.2 -68.6 143.9 32.4 15.7 32.5 104 104 A V - 0 0 0 128,-2.8 128,-0.3 1,-0.1 225,-0.1 -0.715 27.8-136.0 -76.7 129.8 33.2 14.0 35.7 105 105 A E S S+ 0 0 49 -2,-0.4 2,-0.3 223,-0.1 224,-0.2 0.698 70.2 10.1 -75.5 -20.5 36.3 12.0 35.0 106 106 A G E -k 329 0E 6 222,-0.6 224,-1.7 2,-0.0 2,-0.4 -0.997 49.1-149.4-159.3 156.4 35.4 8.8 36.7 107 107 A S E -k 330 0E 12 -2,-0.3 20,-2.5 122,-0.3 2,-0.3 -0.996 26.3-179.6-125.2 126.5 32.8 6.7 38.4 108 108 A Y E -kL 331 126E 5 222,-3.0 224,-2.3 -2,-0.4 2,-0.3 -0.888 13.7-158.8-127.5 155.4 33.8 4.2 41.1 109 109 A V E -kL 332 125E 1 16,-2.6 16,-2.1 -2,-0.3 2,-0.5 -0.981 22.9-118.9-134.3 146.0 32.1 1.7 43.3 110 110 A Y E + L 0 124E 13 222,-2.3 2,-0.3 -2,-0.3 14,-0.2 -0.727 40.4 153.0 -88.3 127.2 33.3 0.1 46.6 111 111 A Q E - 0 0 18 12,-2.5 2,-0.2 -2,-0.5 -2,-0.1 -0.826 37.5-136.1-150.2 105.8 33.7 -3.6 46.8 112 112 A H E - 0 0 67 -2,-0.3 2,-0.5 9,-0.1 11,-0.2 -0.488 19.4-171.4 -68.6 129.8 36.3 -4.8 49.4 113 113 A Q E - L 0 122E 46 9,-2.8 9,-2.2 -2,-0.2 3,-0.1 -0.993 22.1-127.4-122.3 122.0 38.6 -7.5 48.1 114 114 A K - 0 0 172 -2,-0.5 5,-0.1 7,-0.2 9,-0.0 -0.334 35.0 -88.8 -68.6 148.6 40.9 -9.1 50.8 115 115 A K - 0 0 170 1,-0.1 5,-0.2 6,-0.1 2,-0.2 -0.319 50.8-170.1 -53.9 131.1 44.7 -9.3 50.3 116 116 A G - 0 0 32 3,-2.6 5,-0.1 -3,-0.1 -1,-0.1 -0.411 38.8 -93.3-108.8-167.9 45.7 -12.4 48.4 117 117 A F S S+ 0 0 226 -2,-0.2 -2,-0.1 1,-0.1 3,-0.0 0.803 125.1 18.0 -77.9 -32.9 49.0 -14.1 47.7 118 118 A L S S+ 0 0 174 2,-0.1 2,-0.3 1,-0.0 -1,-0.1 0.246 121.6 65.4-119.7 5.3 49.4 -12.4 44.3 119 119 A T S S- 0 0 81 -5,-0.1 -3,-2.6 3,-0.0 2,-0.1 -0.988 73.5-125.0-136.8 142.6 46.9 -9.5 44.6 120 120 A S - 0 0 75 -2,-0.3 2,-0.1 -5,-0.2 -3,-0.1 -0.384 39.4 -91.9 -78.5 157.7 46.7 -6.4 46.8 121 121 A E - 0 0 95 -6,-0.1 2,-0.3 -2,-0.1 -7,-0.2 -0.473 51.4-165.6 -62.1 139.4 43.8 -5.6 49.1 122 122 A K E +L 113 0E 65 -9,-2.2 -9,-2.8 -2,-0.1 3,-0.1 -0.974 27.3 173.1-135.4 156.0 41.3 -3.3 47.1 123 123 A F E + 0 0 67 1,-0.3 -12,-2.5 -2,-0.3 2,-0.3 0.675 65.0 37.5-126.4 -45.4 38.4 -1.1 48.0 124 124 A I E -L 110 0E 14 -14,-0.2 -1,-0.3 260,-0.1 2,-0.3 -0.914 56.9-178.4-128.2 150.1 37.2 0.9 45.0 125 125 A H E -L 109 0E 8 -16,-2.1 -16,-2.6 -2,-0.3 2,-0.0 -0.972 35.9 -92.4-144.4 147.5 36.8 0.1 41.3 126 126 A K E -L 108 0E 128 -2,-0.3 -18,-0.3 -18,-0.2 13,-0.2 -0.391 43.7-119.5 -59.1 137.7 35.8 1.7 38.0 127 127 A V - 0 0 12 -20,-2.5 2,-0.2 69,-0.1 -20,-0.2 -0.770 27.6-131.8 -82.0 117.8 32.1 1.1 37.3 128 128 A P + 0 0 5 0, 0.0 3,-0.1 0, 0.0 -1,-0.0 -0.526 31.4 171.2 -76.3 135.9 31.9 -0.8 34.0 129 129 A A + 0 0 2 -2,-0.2 2,-0.3 92,-0.1 95,-0.1 0.368 56.7 53.2-127.8 1.1 29.4 0.7 31.6 130 130 A T S > S- 0 0 48 1,-0.1 4,-2.4 26,-0.0 5,-0.2 -0.922 85.4-110.2-130.9 163.9 30.0 -1.2 28.3 131 131 A D H > S+ 0 0 52 -2,-0.3 4,-1.7 1,-0.2 21,-0.1 0.900 121.3 49.9 -54.7 -42.1 30.1 -4.9 27.4 132 132 A M H > S+ 0 0 107 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.854 108.3 52.0 -69.0 -35.0 33.8 -4.6 26.8 133 133 A E H >4 S+ 0 0 81 1,-0.2 3,-0.7 2,-0.2 -1,-0.2 0.905 108.7 52.1 -67.8 -38.6 34.4 -2.9 30.2 134 134 A A H >< S+ 0 0 0 -4,-2.4 3,-1.7 1,-0.2 -2,-0.2 0.887 102.8 56.6 -61.5 -42.3 32.5 -5.7 31.9 135 135 A L H 3< S+ 0 0 66 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.715 116.4 38.5 -64.8 -19.2 34.6 -8.4 30.3 136 136 A V T << S+ 0 0 96 -3,-0.7 -1,-0.3 -4,-0.6 -2,-0.2 0.086 87.7 131.5-114.7 12.9 37.7 -6.7 31.8 137 137 A S X - 0 0 4 -3,-1.7 3,-2.0 1,-0.1 -3,-0.1 -0.622 50.5-152.2 -87.1 126.0 36.2 -5.7 35.2 138 138 A P T 3 S+ 0 0 70 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.606 94.4 72.9 -63.6 -9.3 38.1 -6.4 38.5 139 139 A L T 3 S+ 0 0 9 -13,-0.2 2,-0.4 -5,-0.1 53,-0.1 0.628 96.1 57.9 -73.4 -13.6 34.7 -6.4 40.1 140 140 A L S < S- 0 0 9 -3,-2.0 5,-0.1 -6,-0.1 -1,-0.0 -0.932 84.2-115.9-128.1 138.3 33.9 -9.8 38.6 141 141 A S > - 0 0 72 -2,-0.4 4,-2.1 1,-0.1 -4,-0.1 -0.270 48.8 -93.0 -58.7 162.8 35.5 -13.2 38.6 142 142 A L H > S+ 0 0 146 1,-0.2 4,-0.6 2,-0.2 -1,-0.1 0.813 127.8 37.8 -50.3 -40.3 36.9 -14.5 35.2 143 143 A M H >> S+ 0 0 51 2,-0.2 4,-1.7 1,-0.2 3,-0.8 0.888 110.4 58.3 -82.6 -41.9 33.6 -16.3 34.4 144 144 A E H 3> S+ 0 0 2 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.805 97.7 66.1 -55.5 -30.6 31.3 -13.6 35.9 145 145 A K H 3X S+ 0 0 40 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.921 101.8 45.4 -57.7 -46.5 33.0 -11.2 33.4 146 146 A N H X S+ 0 0 24 -4,-2.6 4,-0.9 1,-0.2 3,-0.7 0.931 113.9 44.7 -54.7 -52.0 21.2 -7.7 26.2 155 155 A V H >< S+ 0 0 0 -4,-2.6 3,-0.6 1,-0.2 -1,-0.2 0.887 106.1 61.5 -63.7 -38.9 20.4 -4.3 27.8 156 156 A S H 3< S+ 0 0 82 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.815 115.6 32.7 -57.9 -31.0 22.2 -2.4 25.0 157 157 A E H << S+ 0 0 151 -4,-1.2 -1,-0.2 -3,-0.7 -2,-0.2 0.457 95.4 115.0-104.2 -3.4 19.7 -3.9 22.5 158 158 A W << - 0 0 4 -4,-0.9 2,-0.4 -3,-0.6 8,-0.1 -0.404 42.3-172.0 -72.6 142.6 16.7 -4.1 24.8 159 159 A D > - 0 0 48 3,-0.5 3,-1.4 -2,-0.1 6,-0.2 -0.983 25.3-142.8-139.9 125.8 13.6 -1.9 24.1 160 160 A A T 3 S+ 0 0 5 -2,-0.4 -1,-0.1 1,-0.3 51,-0.1 0.723 104.9 38.0 -57.5 -23.8 10.6 -1.5 26.4 161 161 A N T 3 S+ 0 0 141 1,-0.1 2,-0.6 -3,-0.0 -1,-0.3 0.349 101.2 76.7-114.0 2.5 8.3 -1.4 23.4 162 162 A K X - 0 0 115 -3,-1.4 3,-1.6 1,-0.1 -3,-0.5 -0.908 54.5-170.5-121.6 103.8 9.8 -4.0 21.0 163 163 A R G > S+ 0 0 185 -2,-0.6 3,-1.9 1,-0.3 5,-0.5 0.779 82.1 68.4 -62.7 -31.1 9.1 -7.6 22.1 164 164 A N G 3 S+ 0 0 145 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.558 96.6 56.1 -70.5 -6.5 11.6 -9.1 19.5 165 165 A T G < S+ 0 0 37 -3,-1.6 -1,-0.3 -6,-0.2 -2,-0.2 0.337 90.9 76.2 -97.7 3.3 14.5 -7.5 21.6 166 166 A W S X S- 0 0 16 -3,-1.9 3,-1.2 -8,-0.1 -2,-0.1 0.613 86.7-138.8 -89.6 -15.4 13.4 -9.3 24.8 167 167 A D T 3 S- 0 0 109 -4,-0.3 -3,-0.1 1,-0.2 3,-0.1 0.871 75.4 -56.2 50.2 40.1 14.7 -12.8 24.0 168 168 A N T 3 S+ 0 0 157 -5,-0.5 2,-0.6 1,-0.2 -1,-0.2 0.693 107.0 128.4 66.1 25.7 11.3 -14.1 25.6 169 169 A L < - 0 0 15 -3,-1.2 -1,-0.2 -6,-0.2 10,-0.0 -0.943 52.7-146.4-108.0 106.2 11.8 -12.3 28.9 170 170 A D >> - 0 0 66 -2,-0.6 4,-2.7 1,-0.2 3,-0.6 -0.642 9.3-165.6 -72.4 109.6 8.6 -10.3 29.6 171 171 A P T 34 S+ 0 0 0 0, 0.0 40,-2.3 0, 0.0 41,-0.3 0.581 85.6 54.7 -77.5 -8.9 9.9 -7.2 31.5 172 172 A Y T 34 S+ 0 0 94 38,-0.2 -2,-0.1 37,-0.1 3,-0.0 0.666 119.1 31.6 -90.9 -20.6 6.4 -6.2 32.7 173 173 A K T <4 S+ 0 0 71 -3,-0.6 2,-0.2 2,-0.1 -1,-0.0 0.796 110.3 68.5-104.1 -43.0 5.7 -9.6 34.3 174 174 A L S < S- 0 0 45 -4,-2.7 36,-2.6 1,-0.1 37,-0.3 -0.514 80.1-126.4 -78.1 147.7 9.2 -10.7 35.4 175 175 A T B > -Q 209 0F 29 34,-0.3 4,-1.6 -2,-0.2 32,-0.1 -0.430 26.4-108.3 -82.2 165.0 10.9 -8.9 38.2 176 176 A M H > S+ 0 0 0 32,-1.9 4,-2.4 29,-0.6 30,-0.2 0.875 120.5 59.0 -62.1 -33.8 14.4 -7.5 37.9 177 177 A L H > S+ 0 0 66 29,-1.9 4,-2.7 31,-0.3 -1,-0.2 0.907 102.6 51.6 -62.2 -41.2 15.7 -10.3 40.1 178 178 A E H > S+ 0 0 92 28,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.882 109.2 51.4 -64.0 -34.5 14.3 -12.9 37.7 179 179 A I H X S+ 0 0 1 -4,-1.6 4,-1.5 2,-0.2 -2,-0.2 0.912 109.7 49.0 -67.1 -43.3 16.2 -11.1 34.9 180 180 A Y H ><>S+ 0 0 0 -4,-2.4 5,-1.8 1,-0.2 3,-0.5 0.950 110.9 50.3 -57.3 -51.4 19.5 -11.2 36.9 181 181 A K H ><5S+ 0 0 96 -4,-2.7 3,-0.6 1,-0.2 -1,-0.2 0.801 103.2 60.6 -57.5 -32.5 19.0 -15.0 37.6 182 182 A H H 3<5S+ 0 0 96 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.902 111.0 39.5 -62.6 -40.0 18.4 -15.5 33.9 183 183 A F T <<5S- 0 0 29 -4,-1.5 -1,-0.2 -3,-0.5 -2,-0.2 0.433 111.3-126.8 -87.2 1.8 21.9 -14.2 33.3 184 184 A N T < 5 + 0 0 115 -3,-0.6 2,-0.3 -4,-0.4 -3,-0.2 0.859 44.4 173.6 55.6 40.1 23.2 -16.0 36.4 185 185 A L < - 0 0 11 -5,-1.8 -1,-0.2 -38,-0.1 2,-0.1 -0.592 25.6-125.9 -77.1 139.5 24.7 -12.9 37.9 186 186 A C > - 0 0 58 -2,-0.3 4,-2.3 1,-0.1 3,-0.3 -0.296 26.5 -97.8 -83.1 171.7 26.1 -13.2 41.4 187 187 A Q H > S+ 0 0 98 1,-0.3 4,-2.7 2,-0.2 5,-0.1 0.878 121.1 51.2 -61.1 -46.5 25.3 -11.0 44.5 188 188 A L H > S+ 0 0 69 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.867 111.0 50.6 -60.0 -35.0 28.3 -8.6 44.2 189 189 A T H > S+ 0 0 1 -3,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.944 110.1 48.8 -65.4 -47.2 27.4 -8.0 40.6 190 190 A I H X S+ 0 0 10 -4,-2.3 4,-2.7 1,-0.2 5,-0.3 0.882 107.4 59.5 -56.3 -41.9 23.8 -7.3 41.5 191 191 A D H X S+ 0 0 7 -4,-2.7 4,-2.1 1,-0.2 5,-0.3 0.927 111.3 35.6 -54.7 -54.4 25.1 -4.9 44.2 192 192 A F H X>S+ 0 0 4 -4,-1.9 4,-2.2 2,-0.2 5,-0.7 0.855 116.5 54.9 -76.5 -32.1 27.1 -2.6 41.8 193 193 A L H X>S+ 0 0 0 -4,-2.5 5,-3.2 -5,-0.2 4,-0.9 0.944 114.9 39.3 -59.7 -47.5 24.5 -2.9 39.0 194 194 A G H <5S+ 0 0 0 -4,-2.7 6,-2.8 -5,-0.2 -2,-0.2 0.911 128.0 29.9 -68.5 -45.1 21.7 -1.8 41.3 195 195 A H H <5S+ 0 0 3 -4,-2.1 -3,-0.2 -5,-0.3 -2,-0.2 0.817 131.0 29.0 -89.3 -33.8 23.5 0.9 43.3 196 196 A A H <5S+ 0 0 1 -4,-2.2 -3,-0.2 -5,-0.3 -2,-0.1 0.552 131.6 26.0-109.6 -14.2 26.1 2.3 40.9 197 197 A V T < S+ 0 0 55 -2,-0.3 3,-1.4 1,-0.2 4,-0.3 0.193 84.3 108.6 -99.7 19.0 17.3 -3.3 46.8 204 204 A D G >> + 0 0 108 1,-0.3 3,-1.6 2,-0.2 4,-0.5 0.844 69.3 70.4 -59.6 -33.7 13.5 -2.9 46.7 205 205 A Y G >4 S+ 0 0 2 -3,-0.5 3,-1.0 1,-0.3 -29,-0.6 0.739 80.6 75.8 -54.8 -25.7 13.7 -2.8 42.9 206 206 A L G <4 S+ 0 0 27 -3,-1.4 -29,-1.9 1,-0.3 -28,-0.3 0.834 99.8 41.8 -57.2 -35.8 14.6 -6.5 42.9 207 207 A K G <4 S+ 0 0 185 -3,-1.6 -1,-0.3 -4,-0.3 -2,-0.2 0.532 102.6 86.7 -90.5 -10.4 11.0 -7.4 43.6 208 208 A Q S << S- 0 0 88 -3,-1.0 -32,-1.9 -4,-0.5 -31,-0.3 -0.476 97.0 -71.8 -86.5 161.1 9.6 -4.8 41.1 209 209 A P B >> -Q 175 0F 48 0, 0.0 3,-0.9 0, 0.0 4,-0.5 -0.224 43.7-124.8 -54.6 142.8 9.0 -5.3 37.4 210 210 A A H >> S+ 0 0 0 -36,-2.6 4,-2.6 -40,-0.2 3,-1.2 0.806 97.9 71.1 -63.2 -39.1 12.2 -5.5 35.3 211 211 A Y H 3> S+ 0 0 78 -40,-2.3 4,-2.3 -37,-0.3 -1,-0.2 0.803 92.3 59.4 -52.4 -36.7 11.5 -2.8 32.7 212 212 A L H <> S+ 0 0 64 -3,-0.9 4,-1.1 -41,-0.3 -1,-0.3 0.907 113.7 36.8 -57.3 -42.1 11.9 -0.0 35.3 213 213 A T H X S+ 0 0 30 -4,-2.4 3,-0.5 1,-0.2 4,-0.5 0.886 114.2 45.1 -57.3 -44.2 24.9 3.1 29.3 222 222 A Q H >< S+ 0 0 104 -4,-2.8 3,-0.9 1,-0.2 4,-0.4 0.854 105.2 63.5 -65.6 -37.8 23.6 5.7 26.7 223 223 A S H 3X S+ 0 0 5 -4,-2.4 4,-0.5 1,-0.2 3,-0.5 0.691 92.6 63.2 -64.6 -23.9 24.6 8.6 28.9 224 224 A I H - 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