==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIPID TRANSPORT 13-MAY-11 3S0K . COMPND 2 MOLECULE: GLYCOLIPID TRANSFER PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.CABO-BILBAO,V.SAMYGINA,A.N.POPOV,B.OCHOA-LIZARRALDE,F.GONI . 203 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11026.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 152 74.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 2.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 5 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 110 54.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 0 0 0 0 2 0 0 1 2 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 1 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 7 A H 0 0 166 0, 0.0 2,-0.1 0, 0.0 176,-0.0 0.000 360.0 360.0 360.0 157.3 13.5 27.4 17.5 2 8 A L - 0 0 75 1,-0.1 2,-0.1 178,-0.0 175,-0.1 -0.411 360.0 -95.0 -86.6 163.2 16.1 30.1 17.1 3 9 A L - 0 0 15 174,-0.3 -1,-0.1 1,-0.1 177,-0.1 -0.418 54.6 -87.4 -67.7 159.0 19.9 29.6 17.2 4 10 A K - 0 0 111 1,-0.1 -1,-0.1 9,-0.1 180,-0.1 -0.382 49.6-102.7 -59.9 147.1 21.6 30.1 20.6 5 11 A P - 0 0 90 0, 0.0 -1,-0.1 0, 0.0 175,-0.0 -0.338 41.5 -99.4 -65.3 153.2 22.6 33.6 21.3 6 12 A L - 0 0 44 -3,-0.1 6,-0.1 1,-0.1 2,-0.0 -0.594 36.6-125.4 -69.7 133.6 26.3 34.4 20.9 7 13 A P > - 0 0 57 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 -0.352 27.9-104.7 -70.5 162.0 28.2 34.4 24.2 8 14 A A T 3 S+ 0 0 107 1,-0.3 -2,-0.1 2,-0.1 0, 0.0 0.862 123.3 49.7 -56.5 -34.1 30.2 37.6 25.0 9 15 A D T 3 S- 0 0 106 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.405 108.3-127.7 -89.5 4.5 33.4 35.9 24.2 10 16 A K < + 0 0 88 -3,-2.0 2,-0.6 1,-0.2 -2,-0.1 0.564 54.1 150.4 64.4 16.9 32.0 34.6 20.8 11 17 A Q - 0 0 65 53,-0.1 2,-0.6 52,-0.1 -1,-0.2 -0.706 36.5-146.8 -83.2 121.7 32.9 31.0 21.3 12 18 A I - 0 0 13 -2,-0.6 52,-2.4 -3,-0.1 53,-0.3 -0.779 9.0-130.4 -99.4 117.9 30.4 28.9 19.5 13 19 A E B > -A 63 0A 78 -2,-0.6 4,-1.4 50,-0.2 50,-0.3 -0.472 14.5-145.4 -66.7 131.1 29.4 25.6 20.9 14 20 A T H > S+ 0 0 0 48,-2.8 4,-2.8 -2,-0.3 5,-0.3 0.919 88.7 53.8 -63.8 -47.2 29.6 22.9 18.2 15 21 A G H > S+ 0 0 18 47,-0.5 4,-2.4 1,-0.2 -1,-0.2 0.922 110.8 42.3 -61.8 -53.4 26.7 20.7 19.1 16 22 A P H > S+ 0 0 46 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.851 113.9 54.6 -61.7 -34.6 23.9 23.3 19.3 17 23 A F H X S+ 0 0 8 -4,-1.4 4,-2.5 2,-0.2 5,-0.2 0.961 111.0 43.6 -64.7 -47.9 25.2 24.9 16.1 18 24 A L H X S+ 0 0 8 -4,-2.8 4,-1.7 1,-0.2 -1,-0.2 0.908 112.8 52.7 -66.2 -37.3 25.1 21.7 14.1 19 25 A E H < S+ 0 0 94 -4,-2.4 4,-0.4 -5,-0.3 -1,-0.2 0.942 112.1 45.4 -64.8 -42.0 21.7 20.7 15.6 20 26 A A H >< S+ 0 0 8 -4,-2.3 3,-1.5 1,-0.2 -2,-0.2 0.939 113.6 46.7 -67.9 -46.2 20.2 24.1 14.6 21 27 A V H >< S+ 0 0 0 -4,-2.5 3,-2.1 1,-0.3 -1,-0.2 0.783 97.0 74.4 -73.6 -15.9 21.6 24.2 11.1 22 28 A S T 3< S+ 0 0 47 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.704 87.7 63.6 -65.6 -16.9 20.6 20.6 10.5 23 29 A H T < S+ 0 0 98 -3,-1.5 -1,-0.3 -4,-0.4 4,-0.3 0.560 90.7 69.3 -80.9 -5.6 17.0 22.0 10.2 24 30 A L S X S+ 0 0 37 -3,-2.1 3,-2.0 1,-0.2 4,-0.5 0.935 85.3 60.2 -85.1 -44.8 17.9 24.0 7.1 25 31 A P G > S+ 0 0 7 0, 0.0 3,-1.2 0, 0.0 4,-0.4 0.802 92.0 67.0 -57.4 -34.8 18.5 21.3 4.4 26 32 A P G > S+ 0 0 68 0, 0.0 3,-1.1 0, 0.0 4,-0.4 0.761 86.6 72.0 -54.9 -26.1 14.9 19.9 4.6 27 33 A F G X S+ 0 0 44 -3,-2.0 3,-2.5 -4,-0.3 4,-0.3 0.910 86.3 65.0 -55.4 -37.8 13.7 23.2 3.2 28 34 A F G X S+ 0 0 25 -3,-1.2 3,-1.7 -4,-0.5 -1,-0.2 0.776 86.0 69.7 -57.9 -27.0 15.2 22.2 -0.2 29 35 A D G < S+ 0 0 115 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.2 0.724 93.5 59.7 -61.7 -21.1 12.7 19.3 -0.5 30 36 A C G < S+ 0 0 63 -3,-2.5 2,-0.7 -4,-0.4 -1,-0.3 0.591 93.0 74.7 -77.6 -16.4 10.0 22.0 -0.9 31 37 A L < - 0 0 24 -3,-1.7 5,-0.1 -4,-0.3 -1,-0.1 -0.903 67.6-164.4-107.3 114.0 11.8 23.4 -4.0 32 38 A G + 0 0 79 -2,-0.7 -1,-0.1 4,-0.1 5,-0.1 0.671 48.8 111.5 -77.1 -20.8 11.3 21.0 -6.9 33 39 A S S > S- 0 0 39 1,-0.1 3,-1.8 115,-0.1 4,-0.4 -0.217 74.8-121.3 -62.5 141.2 13.9 22.1 -9.3 34 40 A P T > S+ 0 0 106 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 0.821 105.1 68.6 -56.3 -31.0 16.6 19.6 -9.9 35 41 A V T 3> S+ 0 0 21 1,-0.3 4,-1.5 2,-0.2 5,-0.1 0.780 86.4 68.0 -59.6 -27.3 19.4 22.0 -8.8 36 42 A F H <> S+ 0 0 32 -3,-1.8 4,-2.6 1,-0.2 -1,-0.3 0.755 89.5 67.1 -64.8 -18.8 18.2 21.9 -5.2 37 43 A T H <> S+ 0 0 105 -3,-1.9 4,-2.3 -4,-0.4 -1,-0.2 0.977 105.5 36.9 -67.0 -55.4 19.3 18.3 -5.0 38 44 A P H > S+ 0 0 77 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.811 116.7 56.1 -65.4 -24.0 23.0 18.9 -5.2 39 45 A I H X S+ 0 0 55 -4,-1.5 4,-2.3 2,-0.2 5,-0.2 0.952 109.2 44.9 -68.4 -50.4 22.6 22.1 -3.1 40 46 A K H X S+ 0 0 65 -4,-2.6 4,-2.9 1,-0.2 5,-0.3 0.911 112.8 52.4 -58.2 -43.6 21.0 20.1 -0.3 41 47 A A H X S+ 0 0 63 -4,-2.3 4,-2.1 -5,-0.2 -1,-0.2 0.860 108.7 50.6 -61.6 -37.9 23.7 17.4 -0.6 42 48 A D H X S+ 0 0 81 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.962 115.1 40.8 -64.6 -50.3 26.4 20.0 -0.4 43 49 A I H X S+ 0 0 9 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.962 119.0 45.1 -63.9 -51.1 25.1 21.6 2.7 44 50 A S H X S+ 0 0 32 -4,-2.9 4,-2.9 -5,-0.2 -1,-0.2 0.884 109.9 56.3 -64.1 -32.5 24.1 18.4 4.4 45 51 A G H X S+ 0 0 37 -4,-2.1 4,-1.9 -5,-0.3 -1,-0.2 0.897 108.0 47.0 -67.2 -38.2 27.3 16.8 3.5 46 52 A N H X S+ 0 0 26 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.903 111.3 50.8 -69.8 -41.5 29.3 19.5 5.2 47 53 A I H X S+ 0 0 12 -4,-2.2 4,-2.7 1,-0.2 5,-0.2 0.938 110.7 50.9 -55.2 -49.6 27.1 19.3 8.3 48 54 A T H X S+ 0 0 92 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.882 109.7 49.4 -58.0 -41.3 27.6 15.6 8.4 49 55 A K H X S+ 0 0 94 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.916 111.9 46.6 -69.3 -41.5 31.4 15.9 8.2 50 56 A I H X S+ 0 0 1 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.919 113.4 50.3 -66.0 -37.5 31.6 18.4 10.9 51 57 A K H X S+ 0 0 104 -4,-2.7 4,-2.9 1,-0.2 -2,-0.2 0.870 107.0 54.9 -64.4 -40.0 29.3 16.3 13.1 52 58 A A H X S+ 0 0 53 -4,-2.3 4,-0.8 -5,-0.2 -1,-0.2 0.918 111.5 43.7 -62.2 -39.4 31.5 13.2 12.4 53 59 A V H >X S+ 0 0 14 -4,-1.9 3,-1.2 2,-0.2 4,-0.6 0.970 114.0 50.1 -68.9 -47.8 34.6 15.1 13.7 54 60 A Y H >< S+ 0 0 49 -4,-2.9 3,-1.8 1,-0.3 7,-0.3 0.917 105.5 57.5 -54.2 -46.3 32.7 16.5 16.7 55 61 A D H 3< S+ 0 0 81 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.730 92.5 68.8 -65.1 -23.1 31.4 13.1 17.7 56 62 A T H << S- 0 0 109 -3,-1.2 -1,-0.3 -4,-0.8 -2,-0.2 0.780 128.9 -4.7 -66.6 -22.3 34.9 11.6 17.9 57 63 A N 4 S+ 0 0 83 1,-0.2 3,-1.0 2,-0.2 4,-0.1 0.928 113.3 41.3 -66.2 -42.9 34.7 17.6 24.9 60 66 A K T 34 S+ 0 0 104 1,-0.2 3,-0.3 -3,-0.2 -1,-0.2 0.834 122.2 41.7 -73.7 -30.5 37.8 18.4 22.9 61 67 A F T 3< S+ 0 0 5 -4,-2.4 -1,-0.2 -7,-0.3 -47,-0.2 -0.098 75.0 132.3-104.9 35.0 35.7 19.7 20.0 62 68 A R S < S+ 0 0 128 -3,-1.0 -48,-2.8 -48,-0.1 -47,-0.5 0.810 70.5 32.3 -62.6 -35.0 33.2 21.6 22.2 63 69 A T B > S-A 13 0A 1 -50,-0.3 4,-1.7 -3,-0.3 -50,-0.2 -0.790 82.0-117.4-119.5 162.2 33.4 24.8 20.2 64 70 A L H > S+ 0 0 0 -52,-2.4 4,-2.0 -2,-0.3 5,-0.2 0.884 118.0 56.5 -63.5 -36.7 34.0 25.5 16.5 65 71 A Q H > S+ 0 0 13 -53,-0.3 4,-2.5 1,-0.2 5,-0.2 0.927 104.2 54.2 -58.4 -40.9 37.2 27.4 17.5 66 72 A N H > S+ 0 0 44 1,-0.2 4,-2.8 2,-0.2 5,-0.4 0.901 104.9 54.7 -57.7 -43.7 38.3 24.1 19.1 67 73 A I H X S+ 0 0 1 -4,-1.7 4,-2.7 1,-0.2 5,-0.2 0.963 111.9 41.3 -56.8 -50.6 37.7 22.2 15.9 68 74 A L H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.913 117.6 47.1 -65.8 -44.4 39.9 24.5 13.8 69 75 A E H X S+ 0 0 99 -4,-2.5 4,-1.4 -5,-0.2 -1,-0.2 0.917 115.1 44.4 -66.4 -42.1 42.6 24.7 16.4 70 76 A V H X S+ 0 0 15 -4,-2.8 4,-2.4 -5,-0.2 -2,-0.2 0.921 113.1 51.1 -69.5 -45.3 42.8 21.0 17.1 71 77 A E H X S+ 0 0 0 -4,-2.7 4,-2.5 -5,-0.4 5,-0.3 0.888 104.9 58.0 -60.2 -36.6 42.6 20.1 13.4 72 78 A K H X S+ 0 0 108 -4,-2.1 4,-1.1 -5,-0.2 -1,-0.2 0.924 110.3 43.2 -58.1 -40.1 45.5 22.5 12.8 73 79 A E H < S+ 0 0 157 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.853 115.9 49.2 -69.9 -37.1 47.6 20.6 15.3 74 80 A M H < S+ 0 0 103 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.830 119.8 31.6 -69.7 -40.8 46.4 17.2 13.9 75 81 A Y H >< S- 0 0 86 -4,-2.5 3,-2.0 1,-0.2 4,-0.2 0.486 78.1-172.5-110.6 -5.3 47.0 17.7 10.2 76 82 A G G >< S+ 0 0 47 -4,-1.1 3,-1.5 -5,-0.3 -1,-0.2 -0.181 74.2 8.8 50.9-125.9 50.0 20.1 9.9 77 83 A A G 3 S+ 0 0 106 1,-0.3 -1,-0.3 3,-0.1 4,-0.2 0.636 123.6 64.6 -69.1 -12.9 50.7 21.3 6.4 78 84 A E G X S+ 0 0 135 -3,-2.0 3,-1.5 -6,-0.1 -1,-0.3 0.833 86.3 127.9 -75.4 -28.3 47.4 19.8 5.0 79 85 A W T < + 0 0 27 -3,-1.5 4,-0.0 1,-0.3 -7,-0.0 -0.455 60.0 23.5 -70.1 141.7 45.4 22.2 7.2 80 86 A P T 3 S+ 0 0 17 0, 0.0 2,-1.9 0, 0.0 -1,-0.3 -0.969 115.2 65.2 -92.6 7.1 43.2 24.1 6.5 81 87 A K S < S+ 0 0 113 -3,-1.5 2,-0.3 -4,-0.2 -2,-0.1 -0.321 97.1 79.1 -87.8 60.8 42.2 22.1 3.4 82 88 A V S > S- 0 0 22 -2,-1.9 4,-2.3 1,-0.0 3,-0.4 -0.994 82.8 -20.8-158.0 151.1 41.2 19.2 5.6 83 89 A G H > S- 0 0 15 -2,-0.3 4,-1.8 1,-0.2 5,-0.1 0.057 113.1 -16.2 59.1-149.7 38.5 17.7 7.8 84 90 A A H > S+ 0 0 0 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.771 131.1 66.0 -66.1 -28.2 35.8 19.7 9.5 85 91 A T H > S+ 0 0 0 -3,-0.4 4,-1.7 2,-0.2 -2,-0.2 0.939 106.8 40.1 -60.7 -45.7 37.8 22.9 8.9 86 92 A L H X S+ 0 0 39 -4,-2.3 4,-1.8 2,-0.2 5,-0.2 0.920 115.0 52.4 -67.8 -41.7 37.3 22.5 5.1 87 93 A A H X S+ 0 0 4 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.918 112.7 44.5 -58.8 -46.7 33.7 21.3 5.5 88 94 A L H X S+ 0 0 1 -4,-2.9 4,-2.9 2,-0.2 -1,-0.2 0.828 105.2 63.0 -69.8 -29.5 32.9 24.4 7.7 89 95 A M H X S+ 0 0 0 -4,-1.7 4,-0.6 -5,-0.3 -1,-0.2 0.907 113.7 34.8 -60.4 -40.3 34.8 26.7 5.3 90 96 A W H X S+ 0 0 28 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.809 114.3 57.0 -83.0 -34.6 32.2 25.7 2.7 91 97 A L H X S+ 0 0 0 -4,-2.5 4,-3.0 -5,-0.2 5,-0.2 0.934 103.2 55.1 -58.8 -45.3 29.2 25.5 5.0 92 98 A K H X S+ 0 0 1 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.841 105.8 52.9 -60.6 -30.4 29.7 29.0 6.2 93 99 A R H X S+ 0 0 0 -4,-0.6 4,-2.1 -5,-0.2 -1,-0.2 0.896 110.7 45.5 -70.9 -42.9 29.5 30.2 2.6 94 100 A G H X S+ 0 0 12 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.901 113.9 50.2 -62.8 -41.2 26.2 28.4 2.0 95 101 A L H X S+ 0 0 0 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.898 110.0 49.6 -66.8 -37.5 24.9 29.7 5.3 96 102 A R H X S+ 0 0 49 -4,-2.3 4,-2.9 -5,-0.2 5,-0.3 0.870 106.9 55.9 -66.7 -37.7 26.0 33.3 4.4 97 103 A F H X S+ 0 0 37 -4,-2.1 4,-2.8 1,-0.2 5,-0.2 0.957 110.1 45.4 -56.9 -48.8 24.3 32.9 1.1 98 104 A I H X S+ 0 0 28 -4,-2.1 4,-2.7 1,-0.2 5,-0.3 0.905 112.9 51.9 -59.5 -42.6 21.0 32.0 2.9 99 105 A Q H X S+ 0 0 18 -4,-2.2 4,-2.7 1,-0.2 5,-0.2 0.948 113.7 41.4 -57.9 -53.6 21.6 34.9 5.4 100 106 A V H X S+ 0 0 15 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.905 115.1 51.4 -64.4 -41.1 22.0 37.5 2.7 101 107 A F H X S+ 0 0 21 -4,-2.8 4,-1.9 -5,-0.3 -2,-0.2 0.943 115.0 41.0 -61.4 -52.1 19.2 36.2 0.5 102 108 A L H X S+ 0 0 15 -4,-2.7 4,-2.8 -5,-0.2 -1,-0.2 0.893 114.0 52.4 -67.2 -39.8 16.7 36.1 3.3 103 109 A Q H X S+ 0 0 60 -4,-2.7 4,-1.9 -5,-0.3 -1,-0.2 0.897 108.2 52.1 -60.5 -41.9 17.8 39.4 4.7 104 110 A S H <>S+ 0 0 2 -4,-2.3 5,-2.0 -5,-0.2 -1,-0.2 0.909 111.7 45.8 -60.2 -45.1 17.4 41.0 1.3 105 111 A I H ><5S+ 0 0 8 -4,-1.9 3,-1.7 1,-0.2 -2,-0.2 0.944 111.8 50.7 -63.8 -47.6 13.9 39.8 0.9 106 112 A C H 3<5S+ 0 0 6 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.800 106.7 56.1 -61.9 -32.3 12.9 40.8 4.4 107 113 A D T 3<5S- 0 0 95 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.426 116.5-113.7 -81.7 1.6 14.3 44.3 3.8 108 114 A G T < 5 + 0 0 45 -3,-1.7 -3,-0.2 1,-0.2 2,-0.1 0.629 56.2 163.0 80.6 16.0 12.0 44.7 0.7 109 115 A E < + 0 0 65 -5,-2.0 2,-0.3 -6,-0.2 -1,-0.2 -0.452 17.1 141.7 -68.5 134.1 14.9 44.8 -1.8 110 116 A R - 0 0 122 -2,-0.1 2,-0.6 10,-0.1 8,-0.1 -0.983 59.4 -97.4-164.6 166.3 13.4 44.2 -5.2 111 117 A D B > -B 114 0B 70 3,-0.6 3,-1.2 -2,-0.3 6,-0.2 -0.866 32.9-146.2 -90.1 118.8 13.5 45.0 -8.9 112 118 A E T 3 S+ 0 0 120 -2,-0.6 -1,-0.1 1,-0.3 4,-0.1 0.824 100.3 51.3 -63.8 -25.1 10.7 47.5 -9.3 113 119 A N T 3 S+ 0 0 139 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.583 125.1 26.3 -84.5 -12.7 10.0 46.1 -12.8 114 120 A H B X S+B 111 0B 109 -3,-1.2 3,-1.7 3,-0.1 -3,-0.6 -0.410 72.7 160.6-141.9 65.6 9.9 42.5 -11.5 115 121 A P T 3 S+ 0 0 51 0, 0.0 -3,-0.1 0, 0.0 -2,-0.1 0.653 72.2 52.7 -66.4 -15.3 8.8 42.9 -7.9 116 122 A N T 3 S+ 0 0 63 36,-0.1 36,-3.0 -3,-0.1 37,-0.3 0.218 91.6 86.8-109.8 16.1 7.6 39.3 -7.5 117 123 A L < - 0 0 40 -3,-1.7 -6,-0.2 34,-0.3 34,-0.1 -0.624 65.1-149.2 -93.6 168.4 10.8 37.6 -8.7 118 124 A I > + 0 0 7 32,-0.4 4,-2.5 -2,-0.2 5,-0.3 0.184 65.3 110.2-120.9 22.1 13.7 36.9 -6.3 119 125 A R H > S+ 0 0 100 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.894 77.1 49.2 -63.5 -44.2 16.4 37.2 -8.8 120 126 A V H > S+ 0 0 63 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.860 113.0 48.4 -64.7 -37.4 17.9 40.4 -7.4 121 127 A N H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.916 113.6 45.5 -71.3 -41.1 17.9 38.9 -3.9 122 128 A A H X S+ 0 0 10 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.908 112.1 52.6 -68.0 -37.9 19.6 35.7 -5.1 123 129 A T H X S+ 0 0 36 -4,-2.8 4,-2.9 -5,-0.3 5,-0.3 0.944 108.9 49.1 -64.9 -43.9 22.1 37.6 -7.2 124 130 A K H X S+ 0 0 62 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.931 113.8 46.5 -56.8 -50.6 23.1 39.8 -4.2 125 131 A A H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 5,-0.4 0.913 112.9 49.7 -61.8 -40.8 23.5 36.7 -2.0 126 132 A Y H X>S+ 0 0 8 -4,-2.7 5,-2.8 2,-0.2 4,-2.2 0.941 111.9 47.2 -63.1 -47.7 25.5 34.9 -4.7 127 133 A E H <5S+ 0 0 109 -4,-2.9 5,-0.3 1,-0.2 -1,-0.2 0.903 116.9 43.8 -63.5 -40.7 27.9 37.8 -5.3 128 134 A M H <5S+ 0 0 119 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.864 129.3 19.9 -72.6 -34.8 28.4 38.3 -1.5 129 135 A A H <5S+ 0 0 2 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.2 0.778 131.2 10.0-107.6 -36.6 28.9 34.7 -0.5 130 136 A L T ><5S+ 0 0 28 -4,-2.2 3,-2.3 -5,-0.4 4,-0.2 0.692 94.0 84.5-124.1 -35.2 29.8 32.3 -3.3 131 137 A K G > - 0 0 14 -2,-0.5 4,-2.4 1,-0.1 5,-0.2 -0.136 44.7 -86.8 -71.5-176.1 34.6 28.7 -11.7 136 142 A W H > S+ 0 0 168 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.901 124.7 56.1 -68.5 -39.3 32.5 29.1 -14.8 137 143 A I H > S+ 0 0 120 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.925 112.6 41.6 -60.9 -42.0 31.0 25.7 -14.8 138 144 A V H >> S+ 0 0 40 1,-0.2 4,-1.5 2,-0.2 3,-0.7 0.878 109.5 59.2 -72.4 -36.0 29.6 26.1 -11.3 139 145 A Q H 3X S+ 0 0 32 -4,-2.4 4,-2.4 1,-0.3 -1,-0.2 0.866 98.4 59.9 -58.1 -34.0 28.5 29.6 -12.1 140 146 A K H 3X S+ 0 0 111 -4,-2.1 4,-2.2 2,-0.2 -1,-0.3 0.846 99.5 56.8 -61.5 -32.9 26.4 28.1 -14.9 141 147 A I H < S+ 0 0 6 -4,-2.5 3,-1.0 1,-0.2 -1,-0.2 0.905 106.9 51.4 -58.8 -44.3 18.1 32.0 -11.3 147 153 A Y H 3< S+ 0 0 199 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.909 118.0 36.9 -61.1 -41.6 16.2 31.4 -14.5 148 154 A A T 3< S+ 0 0 56 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.312 87.2 135.3 -93.4 2.8 14.0 28.7 -12.9 149 155 A A < - 0 0 23 -3,-1.0 -30,-0.1 -4,-0.3 3,-0.1 -0.243 59.7-107.1 -60.1 144.9 13.7 30.4 -9.5 150 156 A P - 0 0 36 0, 0.0 -32,-0.4 0, 0.0 -1,-0.1 -0.245 38.0 -94.2 -66.1 156.9 10.2 30.5 -7.9 151 157 A Y > - 0 0 131 -34,-0.1 4,-2.5 1,-0.1 -34,-0.3 -0.345 41.2-108.8 -60.9 153.5 8.3 33.7 -7.8 152 158 A K H > S+ 0 0 26 -36,-3.0 4,-2.8 1,-0.2 5,-0.2 0.922 117.9 50.2 -56.8 -47.3 8.7 35.5 -4.4 153 159 A S H > S+ 0 0 33 -37,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.901 111.8 47.9 -60.8 -40.9 5.2 34.7 -3.2 154 160 A D H > S+ 0 0 100 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.903 111.2 51.2 -64.1 -42.0 5.6 31.0 -4.0 155 161 A F H X S+ 0 0 10 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.909 110.4 48.1 -61.9 -45.4 8.9 30.9 -2.3 156 162 A L H X S+ 0 0 2 -4,-2.8 4,-1.0 2,-0.2 -1,-0.2 0.867 106.8 56.4 -69.2 -30.5 7.6 32.4 0.8 157 163 A K H >< S+ 0 0 86 -4,-1.9 3,-0.8 -5,-0.2 4,-0.3 0.953 108.0 49.8 -63.0 -43.1 4.6 30.0 0.9 158 164 A A H >< S+ 0 0 24 -4,-2.0 3,-1.4 1,-0.2 -2,-0.2 0.910 104.6 56.6 -59.7 -45.7 7.1 27.1 0.9 159 165 A L H 3< S+ 0 0 50 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.782 115.2 40.0 -53.2 -29.1 9.1 28.6 3.8 160 166 A S T XX S+ 0 0 10 -4,-1.0 3,-2.3 -3,-0.8 4,-0.7 0.255 76.6 142.5-114.2 13.8 6.0 28.6 5.8 161 167 A K T <4 S+ 0 0 182 -3,-1.4 -3,-0.1 -4,-0.3 -131,-0.0 -0.298 74.3 26.4 -50.1 130.4 4.3 25.3 4.8 162 168 A G T 34 S+ 0 0 70 3,-0.0 -1,-0.3 0, 0.0 -4,-0.1 0.164 108.9 75.7 100.9 -16.4 2.7 23.9 8.0 163 169 A Q T <4 S- 0 0 89 -3,-2.3 -2,-0.2 2,-0.1 3,-0.1 0.720 77.1-146.3-102.4 -27.1 2.2 27.2 9.7 164 170 A N < + 0 0 161 -4,-0.7 2,-0.2 1,-0.2 -3,-0.1 0.893 47.6 148.1 58.0 41.6 -0.8 28.8 8.0 165 171 A V - 0 0 38 -5,-0.4 -1,-0.2 -8,-0.1 -2,-0.1 -0.673 50.7-105.7-102.2 159.3 0.8 32.2 8.5 166 172 A T > - 0 0 66 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.343 35.3-105.0 -74.8 165.8 0.4 35.3 6.3 167 173 A E H > S+ 0 0 63 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.922 124.0 51.3 -57.3 -42.0 3.3 36.3 4.1 168 174 A E H > S+ 0 0 124 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.909 109.5 49.4 -66.5 -38.4 4.0 39.2 6.5 169 175 A E H > S+ 0 0 99 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.906 109.3 53.2 -65.6 -36.2 4.0 36.8 9.5 170 176 A C H X S+ 0 0 5 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.942 108.6 49.1 -64.1 -48.0 6.4 34.6 7.7 171 177 A L H X S+ 0 0 21 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.900 108.2 54.4 -59.1 -40.3 8.8 37.5 7.1 172 178 A E H X S+ 0 0 118 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.907 108.0 49.2 -61.8 -39.8 8.6 38.5 10.8 173 179 A K H X S+ 0 0 112 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.910 110.9 50.6 -65.5 -39.8 9.6 35.0 11.8 174 180 A I H X S+ 0 0 15 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.918 106.4 54.9 -63.3 -42.1 12.5 35.1 9.3 175 181 A R H X S+ 0 0 87 -4,-2.6 4,-0.6 1,-0.2 -1,-0.2 0.895 109.8 46.4 -58.4 -39.9 13.7 38.4 10.7 176 182 A L H >X S+ 0 0 105 -4,-1.7 3,-1.2 1,-0.2 4,-0.6 0.933 111.4 51.4 -68.6 -44.3 13.8 37.0 14.2 177 183 A F H 3X S+ 0 0 40 -4,-2.3 4,-1.5 1,-0.2 -174,-0.3 0.891 103.9 60.8 -53.6 -40.3 15.7 33.8 13.0 178 184 A L H 3X S+ 0 0 3 -4,-2.5 4,-2.4 1,-0.2 5,-0.3 0.714 88.8 73.4 -65.3 -19.3 18.2 36.1 11.3 179 185 A V H S+ 0 0 0 -4,-2.1 5,-2.9 1,-0.2 6,-0.8 0.906 114.4 46.8 -62.8 -40.6 38.6 31.8 9.5 193 199 A T H ><5S+ 0 0 102 -4,-2.1 3,-1.5 1,-0.2 -2,-0.2 0.926 110.6 51.6 -66.5 -46.4 40.2 35.2 8.8 194 200 A Q H 3<5S+ 0 0 147 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.807 114.6 44.1 -58.7 -34.9 42.0 35.4 12.2 195 201 A M T 3<5S- 0 0 39 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.329 108.6-122.3 -93.4 4.7 43.5 32.0 11.7 196 202 A N T < 5S+ 0 0 140 -3,-1.5 -3,-0.2 -4,-0.1 -4,-0.1 0.852 75.2 130.2 53.1 40.3 44.4 32.7 8.1 197 203 A A < + 0 0 0 -5,-2.9 2,-0.3 -6,-0.2 -4,-0.2 0.448 28.7 109.4-104.8 -4.4 42.2 29.6 7.3 198 204 A E - 0 0 35 -6,-0.8 2,-0.4 -9,-0.1 -9,-0.0 -0.579 55.8-158.7 -73.4 127.9 40.1 31.2 4.5 199 205 A L - 0 0 41 -2,-0.3 -2,-0.1 -119,-0.1 -3,-0.0 -0.894 11.4-156.0-104.8 150.2 41.1 29.7 1.2 200 206 A N + 0 0 95 -2,-0.4 -1,-0.1 2,-0.1 -2,-0.0 0.266 43.5 132.2-112.4 18.4 40.5 31.5 -2.1 201 207 A Y - 0 0 68 1,-0.1 2,-0.3 2,-0.0 -2,-0.1 -0.278 49.3-130.0 -73.6 150.4 40.4 28.6 -4.6 202 208 A K 0 0 124 1,-0.1 -68,-0.2 -68,-0.1 -69,-0.1 -0.791 360.0 360.0 -96.8 145.8 37.7 28.2 -7.2 203 209 A V 0 0 86 -70,-2.0 -69,-0.2 -2,-0.3 -1,-0.1 0.561 360.0 360.0-106.8 360.0 35.8 25.0 -7.8