==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIPID TRANSPORT 08-AUG-12 4GHP . COMPND 2 MOLECULE: GLYCOLIPID TRANSFER PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR V.R.SAMYGINA,B.OCHOA-LIZARRALDE,A.N.POPOV,L.MALININA . 202 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11060.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 153 75.7 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 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 108 53.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.0 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 2 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 1 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 8 A L 0 0 139 0, 0.0 2,-0.4 0, 0.0 175,-0.1 0.000 360.0 360.0 360.0 151.8 -0.7 7.9 12.6 2 9 A L - 0 0 17 174,-0.3 177,-0.1 1,-0.1 178,-0.1 -0.702 360.0-106.2 -78.8 135.5 2.1 8.6 10.1 3 10 A K - 0 0 120 -2,-0.4 2,-0.1 1,-0.1 -1,-0.1 -0.165 42.0-101.9 -37.3 146.4 1.5 10.9 7.2 4 11 A P - 0 0 87 0, 0.0 -1,-0.1 0, 0.0 175,-0.0 -0.476 45.0 -94.6 -65.0 152.6 1.1 9.2 3.8 5 12 A L - 0 0 37 -2,-0.1 2,-0.1 -3,-0.1 6,-0.1 -0.443 39.4-122.5 -65.7 145.3 4.1 9.3 1.5 6 13 A P > - 0 0 57 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 -0.383 32.6 -96.5 -80.9 170.2 4.1 12.1 -1.0 7 14 A A T 3 S+ 0 0 102 1,-0.3 -2,-0.1 2,-0.1 0, 0.0 0.839 126.9 52.6 -58.2 -34.3 4.4 11.3 -4.7 8 15 A D T 3 S- 0 0 106 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.517 104.6-132.8 -82.1 -2.3 8.2 11.9 -4.6 9 16 A K < + 0 0 89 -3,-1.9 2,-0.3 1,-0.2 -2,-0.1 0.663 54.0 147.9 59.5 22.5 8.5 9.5 -1.7 10 17 A Q - 0 0 67 53,-0.1 2,-0.6 52,-0.0 -1,-0.2 -0.613 40.8-141.5 -85.8 141.8 10.6 11.8 0.2 11 18 A I - 0 0 19 -2,-0.3 52,-2.5 -3,-0.1 2,-0.2 -0.919 10.8-132.7-110.2 115.8 10.2 11.7 4.0 12 19 A E B > -A 62 0A 102 -2,-0.6 4,-1.7 50,-0.2 50,-0.3 -0.423 13.1-146.2 -67.3 128.5 10.3 14.9 5.9 13 20 A T H > S+ 0 0 0 48,-3.1 4,-2.5 47,-0.2 5,-0.2 0.901 90.0 52.7 -69.1 -46.7 12.6 14.5 8.8 14 21 A G H > S+ 0 0 20 47,-0.5 4,-2.2 1,-0.2 -1,-0.2 0.963 113.1 41.7 -56.3 -58.4 10.8 16.7 11.4 15 22 A P H > S+ 0 0 53 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.875 114.0 54.9 -55.7 -37.7 7.4 15.1 11.0 16 23 A F H X S+ 0 0 8 -4,-1.7 4,-2.6 1,-0.2 5,-0.2 0.934 108.4 47.0 -61.5 -49.0 8.9 11.6 11.0 17 24 A L H X S+ 0 0 12 -4,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.878 111.4 52.1 -62.5 -40.0 10.8 12.2 14.2 18 25 A E H < S+ 0 0 118 -4,-2.2 4,-0.4 -5,-0.2 -1,-0.2 0.936 112.0 46.2 -64.1 -42.9 7.7 13.5 15.9 19 26 A A H >< S+ 0 0 21 -4,-2.4 3,-1.4 1,-0.2 -2,-0.2 0.918 114.2 45.7 -63.4 -47.1 5.6 10.5 14.8 20 27 A V H >< S+ 0 0 0 -4,-2.6 3,-1.7 1,-0.3 -1,-0.2 0.726 96.7 73.3 -74.4 -15.7 8.2 7.9 15.9 21 28 A S T 3< S+ 0 0 46 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.709 89.7 61.2 -72.8 -14.9 8.8 9.5 19.1 22 29 A H T < S+ 0 0 103 -3,-1.4 4,-0.4 -4,-0.4 -1,-0.3 0.532 93.3 69.5 -84.0 -4.6 5.3 8.2 20.2 23 30 A L S X> S+ 0 0 19 -3,-1.7 3,-1.5 2,-0.1 4,-0.6 0.931 83.1 62.0 -79.9 -45.9 6.5 4.6 19.7 24 31 A P G >4 S+ 0 0 7 0, 0.0 3,-2.2 0, 0.0 4,-0.2 0.886 95.8 60.5 -54.0 -49.8 9.0 3.9 22.5 25 32 A P G >4 S+ 0 0 63 0, 0.0 3,-2.5 0, 0.0 -2,-0.1 0.816 92.3 69.5 -38.9 -41.7 6.5 4.5 25.4 26 33 A F G X4 S+ 0 0 90 -3,-1.5 3,-4.9 -4,-0.4 4,-0.4 0.790 74.8 80.7 -58.3 -31.9 4.4 1.6 24.1 27 34 A F G X< S+ 0 0 22 -3,-2.2 3,-1.0 -4,-0.6 5,-0.4 0.686 82.8 68.1 -47.6 -17.2 7.0 -0.9 25.1 28 35 A D G < S+ 0 0 87 -3,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.296 80.7 73.0 -90.6 7.9 5.4 -0.4 28.5 29 36 A C G < S+ 0 0 20 -3,-4.9 -1,-0.2 1,-0.1 -2,-0.2 0.478 84.7 69.2 -81.1 -10.0 2.3 -2.1 27.0 30 37 A L S < S- 0 0 25 -3,-1.0 -2,-0.2 -4,-0.4 -1,-0.1 0.724 102.5-140.3 -83.7 -24.2 4.6 -5.2 27.4 31 38 A G + 0 0 66 -4,-0.2 -3,-0.1 1,-0.1 -2,-0.1 0.721 60.2 88.8 89.4 26.9 4.2 -4.8 31.1 32 39 A S S > S- 0 0 32 -5,-0.4 3,-1.9 1,-0.0 4,-0.3 -0.978 74.2-124.5-158.8 139.2 7.6 -5.6 32.5 33 40 A P G > S+ 0 0 103 0, 0.0 3,-1.3 0, 0.0 -1,-0.0 0.665 99.0 82.8 -59.2 -17.8 10.8 -3.7 33.3 34 41 A V G 3 S+ 0 0 74 1,-0.3 4,-0.2 2,-0.2 110,-0.1 0.799 92.7 48.2 -56.1 -27.7 12.8 -6.1 31.1 35 42 A F G X> S+ 0 0 14 -3,-1.9 4,-2.0 1,-0.2 3,-0.5 0.572 85.7 87.2 -95.2 -8.2 11.7 -4.0 28.1 36 43 A T H <> S+ 0 0 59 -3,-1.3 4,-2.2 -4,-0.3 5,-0.2 0.943 86.6 54.8 -58.1 -49.8 12.7 -0.6 29.6 37 44 A P H 3> S+ 0 0 84 0, 0.0 4,-1.8 0, 0.0 -1,-0.3 0.851 107.3 52.6 -49.5 -31.5 16.3 -0.9 28.3 38 45 A I H <> S+ 0 0 64 -3,-0.5 4,-2.5 -4,-0.2 5,-0.3 0.935 104.6 52.9 -74.1 -43.0 14.8 -1.5 24.8 39 46 A K H X S+ 0 0 55 -4,-2.0 4,-3.0 1,-0.2 -1,-0.2 0.923 110.3 49.2 -50.8 -48.5 12.7 1.6 24.9 40 47 A D H X S+ 0 0 93 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.869 107.8 54.5 -67.7 -31.2 15.8 3.6 25.8 41 48 A V H X S+ 0 0 96 -4,-1.8 4,-1.5 -5,-0.2 -1,-0.2 0.956 114.3 39.7 -64.7 -47.4 17.8 2.0 22.9 42 49 A I H X S+ 0 0 14 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.936 114.4 52.8 -67.3 -45.0 15.1 3.0 20.4 43 50 A S H X S+ 0 0 45 -4,-3.0 4,-2.7 -5,-0.3 -1,-0.2 0.882 104.9 57.9 -56.8 -36.2 14.7 6.4 22.0 44 51 A G H X S+ 0 0 36 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.893 104.7 50.2 -62.4 -42.2 18.5 6.8 21.7 45 52 A N H X S+ 0 0 30 -4,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.936 110.9 48.5 -62.5 -43.9 18.4 6.4 18.0 46 53 A I H X S+ 0 0 16 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.928 111.2 51.4 -63.8 -44.0 15.6 9.0 17.7 47 54 A T H X S+ 0 0 85 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.878 109.2 50.1 -53.3 -42.9 17.6 11.4 19.9 48 55 A K H X S+ 0 0 98 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.872 111.3 47.5 -71.8 -43.3 20.6 11.0 17.8 49 56 A I H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 5,-0.2 0.922 114.2 47.9 -61.5 -42.5 18.7 11.7 14.5 50 57 A K H X S+ 0 0 95 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.861 106.3 56.3 -68.1 -37.1 17.1 14.7 16.1 51 58 A A H X S+ 0 0 54 -4,-2.3 4,-0.7 2,-0.2 -1,-0.2 0.907 112.2 43.2 -64.9 -36.7 20.3 16.1 17.4 52 59 A V H >X S+ 0 0 18 -4,-1.7 3,-0.7 2,-0.2 4,-0.7 0.932 115.1 48.9 -71.1 -45.9 21.8 16.0 13.9 53 60 A Y H >< S+ 0 0 47 -4,-2.7 3,-1.6 1,-0.2 7,-0.3 0.935 105.3 58.7 -53.3 -45.8 18.5 17.4 12.3 54 61 A D H 3< S+ 0 0 80 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.770 95.4 64.8 -60.5 -25.3 18.4 20.2 14.9 55 62 A T H << S- 0 0 103 -3,-0.7 -1,-0.3 -4,-0.7 -2,-0.2 0.788 129.6 -3.5 -70.1 -28.0 21.8 21.4 13.7 56 63 A N 4 S+ 0 0 49 2,-0.2 3,-1.3 1,-0.2 4,-0.2 0.927 111.6 44.5 -61.6 -46.7 17.0 22.8 6.1 59 66 A K T 34 S+ 0 0 94 -3,-0.5 3,-0.2 1,-0.3 -1,-0.2 0.830 123.5 38.7 -69.8 -32.2 20.1 20.7 5.2 60 67 A F T 3< S+ 0 0 4 -4,-2.4 -1,-0.3 -7,-0.3 -47,-0.2 -0.023 76.9 130.7-107.2 28.8 18.5 17.8 6.8 61 68 A R S < S+ 0 0 143 -3,-1.3 -48,-3.1 -5,-0.1 -47,-0.5 0.818 72.8 29.9 -52.2 -43.7 14.9 18.4 5.7 62 69 A T B > S-A 12 0A 16 -50,-0.3 4,-2.0 -3,-0.2 -50,-0.2 -0.842 82.2-115.2-116.4 162.7 14.4 14.9 4.4 63 70 A L H > S+ 0 0 1 -52,-2.5 4,-1.9 -2,-0.3 5,-0.2 0.913 119.4 54.1 -59.0 -41.9 15.7 11.4 5.4 64 71 A Q H > S+ 0 0 42 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.836 103.8 55.1 -55.9 -45.5 17.4 11.2 2.0 65 72 A N H > S+ 0 0 31 -3,-0.2 4,-2.9 2,-0.2 5,-0.3 0.911 104.0 55.0 -55.8 -47.1 19.1 14.5 2.7 66 73 A I H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 5,-0.3 0.959 111.7 43.8 -51.3 -53.7 20.5 13.1 5.9 67 74 A L H X S+ 0 0 0 -4,-1.9 4,-1.5 1,-0.2 -1,-0.2 0.885 118.1 41.8 -61.8 -45.3 22.1 10.1 4.0 68 75 A E H X S+ 0 0 79 -4,-2.5 4,-1.4 2,-0.2 -1,-0.2 0.885 115.9 49.6 -73.6 -35.4 23.5 12.1 1.1 69 76 A V H X S+ 0 0 31 -4,-2.9 4,-2.7 -5,-0.3 3,-0.4 0.958 113.7 45.2 -63.6 -50.3 24.7 14.9 3.3 70 77 A E H X S+ 0 0 1 -4,-2.5 4,-2.4 -5,-0.3 5,-0.3 0.802 106.2 61.6 -63.4 -30.1 26.5 12.6 5.7 71 78 A K H X S+ 0 0 90 -4,-1.5 4,-1.5 -5,-0.3 -1,-0.2 0.902 113.4 34.7 -65.5 -38.3 28.0 10.6 2.9 72 79 A E H < S+ 0 0 172 -4,-1.4 -2,-0.2 -3,-0.4 -1,-0.2 0.839 117.4 54.6 -86.8 -30.6 29.8 13.7 1.6 73 80 A M H < S+ 0 0 90 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.877 121.5 26.9 -62.5 -39.0 30.4 15.1 5.1 74 81 A Y H >< S- 0 0 93 -4,-2.4 3,-1.2 1,-0.2 2,-0.3 0.675 77.6-173.1-108.8 -23.5 32.2 11.9 6.4 75 82 A G G >< S+ 0 0 48 -4,-1.5 3,-1.1 -5,-0.3 -1,-0.2 -0.450 73.6 9.8 66.6-121.0 33.8 10.0 3.5 76 83 A A G 3 S+ 0 0 103 -2,-0.3 -1,-0.2 1,-0.3 4,-0.2 0.690 123.0 61.7 -77.4 -17.0 35.1 6.5 4.5 77 84 A E G X S+ 0 0 138 -3,-1.2 3,-0.8 2,-0.1 -1,-0.3 0.695 89.2 128.2 -77.4 -16.7 33.6 6.4 8.0 78 85 A W T < + 0 0 23 -3,-1.1 4,-0.0 1,-0.3 -7,-0.0 -0.626 58.9 22.4 -79.5 143.8 30.1 6.6 6.3 79 86 A P T 3 S+ 0 0 16 0, 0.0 2,-1.7 0, 0.0 -1,-0.3 -0.957 115.8 65.8 -89.6 4.6 27.6 4.8 6.6 80 87 A K S < S+ 0 0 109 -3,-0.8 2,-0.3 -4,-0.2 -2,-0.1 -0.309 98.3 75.1 -83.4 57.0 28.8 3.6 10.1 81 88 A V S > S- 0 0 26 -2,-1.7 4,-1.8 1,-0.0 3,-0.5 -0.993 83.8 -15.2-162.3 151.2 28.4 7.1 11.5 82 89 A G H > S- 0 0 13 -2,-0.3 4,-1.5 1,-0.2 3,-0.3 0.043 112.9 -19.6 56.4-147.3 26.1 9.9 12.7 83 90 A A H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.764 131.5 66.2 -68.7 -28.0 22.3 9.9 12.0 84 91 A T H > S+ 0 0 0 -3,-0.5 4,-1.8 1,-0.2 -1,-0.2 0.940 105.7 42.8 -61.2 -40.9 22.7 7.5 9.1 85 92 A L H X S+ 0 0 41 -4,-1.8 4,-1.8 -3,-0.3 -1,-0.2 0.883 113.7 50.5 -63.1 -47.4 23.8 4.8 11.6 86 93 A A H X S+ 0 0 6 -4,-1.5 4,-2.6 1,-0.2 -2,-0.2 0.894 113.1 45.4 -62.8 -42.7 21.2 5.7 14.1 87 94 A L H X S+ 0 0 0 -4,-2.8 4,-2.9 2,-0.2 -1,-0.2 0.849 106.5 61.1 -68.7 -34.3 18.4 5.5 11.4 88 95 A M H X S+ 0 0 0 -4,-1.8 4,-0.7 -5,-0.3 -2,-0.2 0.914 114.2 36.0 -55.7 -40.8 19.9 2.2 10.1 89 96 A W H X S+ 0 0 41 -4,-1.8 4,-1.7 2,-0.2 3,-0.4 0.887 113.9 56.3 -84.1 -39.5 19.3 0.7 13.5 90 97 A L H X S+ 0 0 1 -4,-2.6 4,-2.6 1,-0.2 3,-0.3 0.939 102.5 56.2 -56.4 -44.3 16.0 2.6 14.1 91 98 A K H X S+ 0 0 0 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.820 105.8 52.9 -59.6 -31.4 14.4 1.2 10.9 92 99 A R H X S+ 0 0 0 -4,-0.7 4,-2.1 -3,-0.4 -1,-0.2 0.871 109.9 46.2 -71.5 -38.2 15.2 -2.3 12.2 93 100 A G H X S+ 0 0 12 -4,-1.7 4,-1.9 -3,-0.3 -2,-0.2 0.900 114.0 49.9 -70.6 -38.6 13.4 -1.7 15.5 94 101 A L H X S+ 0 0 2 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.889 110.0 50.1 -62.7 -42.3 10.5 -0.1 13.6 95 102 A R H X S+ 0 0 34 -4,-2.2 4,-2.8 2,-0.2 5,-0.3 0.893 105.9 56.0 -64.8 -40.9 10.4 -3.1 11.3 96 103 A F H X S+ 0 0 37 -4,-2.1 4,-2.7 1,-0.2 5,-0.2 0.962 110.5 45.2 -54.4 -45.2 10.3 -5.4 14.3 97 104 A I H X S+ 0 0 25 -4,-1.9 4,-2.2 1,-0.2 5,-0.3 0.904 113.4 51.1 -69.3 -38.6 7.2 -3.6 15.5 98 105 A Q H X S+ 0 0 21 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.933 113.5 42.2 -61.2 -47.9 5.7 -3.6 12.1 99 106 A V H X S+ 0 0 9 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.914 114.6 51.6 -70.1 -40.9 6.1 -7.4 11.6 100 107 A F H X S+ 0 0 15 -4,-2.7 4,-1.9 -5,-0.3 -1,-0.2 0.917 114.4 41.9 -58.8 -51.6 5.0 -8.2 15.1 101 108 A L H X S+ 0 0 18 -4,-2.2 4,-2.6 -5,-0.2 -2,-0.2 0.898 115.6 49.7 -66.6 -42.4 1.8 -6.2 14.9 102 109 A Q H X S+ 0 0 61 -4,-2.6 4,-2.3 -5,-0.3 -2,-0.2 0.923 109.0 52.4 -62.7 -39.5 1.1 -7.4 11.3 103 110 A S H <>S+ 0 0 2 -4,-2.8 5,-1.9 1,-0.2 -2,-0.2 0.924 111.4 47.4 -65.6 -38.7 1.6 -11.0 12.4 104 111 A I H ><5S+ 0 0 6 -4,-1.9 3,-1.6 1,-0.2 -1,-0.2 0.947 112.5 48.2 -65.4 -46.0 -0.8 -10.5 15.2 105 112 A C H 3<5S+ 0 0 6 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.809 104.7 61.0 -64.4 -31.2 -3.4 -8.8 12.9 106 113 A D T 3<5S- 0 0 91 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.322 115.5-113.9 -80.2 4.5 -3.0 -11.7 10.4 107 114 A G T < 5 + 0 0 30 -3,-1.6 2,-0.3 1,-0.2 -3,-0.2 0.696 59.4 159.7 73.0 19.2 -4.2 -14.2 12.9 108 115 A E < + 0 0 60 -5,-1.9 2,-0.3 -6,-0.2 -1,-0.2 -0.565 15.7 137.4 -75.0 134.8 -0.9 -16.0 13.1 109 116 A R - 0 0 130 -2,-0.3 2,-0.7 -3,-0.1 8,-0.1 -0.973 62.5 -97.9-166.5 168.5 -0.6 -17.9 16.3 110 117 A D B > -B 113 0B 67 3,-0.5 3,-1.2 -2,-0.3 6,-0.2 -0.926 35.9-147.0-100.6 110.5 0.5 -21.2 17.8 111 118 A E T 3 S+ 0 0 129 -2,-0.7 -1,-0.1 1,-0.3 -3,-0.0 0.730 96.4 45.4 -60.3 -25.4 -2.9 -23.1 18.0 112 119 A N T 3 S+ 0 0 136 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.690 120.1 39.9 -92.5 -14.3 -1.9 -24.9 21.2 113 120 A H B X S+B 110 0B 98 -3,-1.2 3,-1.1 1,-0.1 -3,-0.5 -0.556 74.9 155.5-123.1 66.4 -0.5 -21.8 22.9 114 121 A P T 3 + 0 0 69 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.703 63.0 56.7 -71.1 -25.4 -3.2 -19.3 21.7 115 122 A N T 3 S+ 0 0 77 -3,-0.1 36,-2.9 36,-0.1 37,-0.3 0.382 94.0 83.2 -90.6 3.4 -3.0 -16.7 24.4 116 123 A L < - 0 0 55 -3,-1.1 -6,-0.2 34,-0.3 34,-0.1 -0.543 61.8-153.9-102.0 169.7 0.7 -16.0 23.9 117 124 A I > + 0 0 3 32,-0.4 4,-2.6 -2,-0.2 5,-0.2 0.067 62.8 112.3-125.8 20.1 2.5 -13.7 21.4 118 125 A R H > S+ 0 0 80 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.880 74.9 50.3 -69.9 -40.0 5.7 -15.6 21.3 119 126 A V H > S+ 0 0 62 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.884 112.4 49.4 -65.1 -36.2 5.4 -16.9 17.7 120 127 A N H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.927 112.5 45.7 -70.1 -48.6 4.7 -13.4 16.6 121 128 A A H X S+ 0 0 8 -4,-2.6 4,-3.3 2,-0.2 -2,-0.2 0.880 113.1 51.0 -55.2 -43.9 7.6 -11.8 18.4 122 129 A T H X S+ 0 0 42 -4,-2.4 4,-3.2 2,-0.2 -2,-0.2 0.904 111.5 46.9 -67.3 -39.1 10.0 -14.6 17.1 123 130 A K H X S+ 0 0 68 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.936 112.9 49.7 -64.5 -46.3 8.8 -14.0 13.6 124 131 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 5,-0.4 0.939 113.3 47.0 -58.6 -47.3 9.3 -10.3 14.0 125 132 A Y H X>S+ 0 0 8 -4,-3.3 5,-2.6 1,-0.2 4,-2.1 0.945 111.5 49.9 -58.9 -49.6 12.8 -11.0 15.5 126 133 A E H <5S+ 0 0 107 -4,-3.2 5,-0.4 1,-0.2 -2,-0.2 0.902 116.8 42.0 -59.2 -35.4 13.8 -13.4 12.7 127 134 A M H <5S+ 0 0 120 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.866 128.9 22.9 -83.0 -31.1 12.7 -10.9 10.0 128 135 A A H <5S+ 0 0 3 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.2 0.815 133.0 8.8-102.3 -39.3 14.0 -7.7 11.4 129 136 A L T ><5S+ 0 0 30 -4,-2.1 3,-2.6 -5,-0.4 -3,-0.2 0.732 94.2 85.2-123.3 -38.6 16.8 -8.3 13.9 130 137 A K G > - 0 0 19 68,-3.1 4,-2.1 -2,-0.4 5,-0.1 -0.252 45.4 -87.2 -75.5-179.9 25.5 -12.6 17.6 135 142 A W H > S+ 0 0 189 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.776 123.1 58.5 -72.3 -25.4 24.5 -15.5 19.8 136 143 A I H > S+ 0 0 97 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.972 110.6 43.0 -66.6 -50.5 24.7 -13.8 23.1 137 144 A V H > S+ 0 0 43 65,-0.3 4,-2.9 1,-0.2 -2,-0.2 0.890 112.5 55.0 -62.1 -35.9 22.2 -11.2 22.1 138 145 A Q H X S+ 0 0 43 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.944 108.5 47.2 -62.5 -43.3 20.1 -13.9 20.5 139 146 A K H X 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156 A P - 0 0 21 0, 0.0 -32,-0.4 0, 0.0 2,-0.1 -0.247 29.9 -85.0 -83.0 171.0 2.6 -10.5 28.0 150 157 A Y > - 0 0 131 -34,-0.1 4,-2.3 1,-0.1 -34,-0.3 -0.453 41.7-117.1 -62.4 147.6 -0.5 -12.6 27.1 151 158 A K H > S+ 0 0 25 -36,-2.9 4,-2.5 1,-0.2 5,-0.3 0.938 115.2 54.3 -53.1 -49.0 -2.1 -11.5 23.8 152 159 A S H > S+ 0 0 38 -37,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.933 111.3 44.6 -54.4 -48.4 -5.3 -10.5 25.6 153 160 A D H > S+ 0 0 89 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.873 110.8 53.4 -62.5 -44.6 -3.4 -8.2 28.0 154 161 A F H X S+ 0 0 12 -4,-2.3 4,-1.3 2,-0.2 -1,-0.2 0.931 109.3 48.5 -55.6 -48.0 -1.3 -6.7 25.3 155 162 A L H X S+ 0 0 4 -4,-2.5 4,-1.6 1,-0.3 3,-0.3 0.899 110.9 50.3 -63.9 -39.0 -4.3 -5.7 23.3 156 163 A K H <>S+ 0 0 133 -4,-1.9 5,-1.3 -5,-0.3 -1,-0.3 0.795 108.8 53.2 -67.6 -29.6 -6.0 -4.2 26.3 157 164 A A H <5S+ 0 0 38 -4,-1.8 3,-0.5 -128,-0.2 -1,-0.2 0.739 105.9 54.3 -73.3 -26.6 -2.8 -2.3 27.0 158 165 A L H <5S+ 0 0 30 -4,-1.3 2,-0.8 -3,-0.3 -2,-0.2 0.832 98.4 62.5 -77.8 -34.4 -2.9 -0.9 23.4 159 166 A S T ><5S- 0 0 16 -4,-1.6 3,-2.7 -5,-0.1 -1,-0.2 -0.256 109.4-115.5 -90.2 47.3 -6.4 0.5 23.7 160 167 A K T 3 5 - 0 0 172 -2,-0.8 -3,-0.1 -3,-0.5 3,-0.1 0.708 67.7 -68.3 30.3 38.7 -5.5 2.9 26.5 161 168 A G T 3 - 0 0 86 -2,-0.4 4,-2.1 1,-0.1 5,-0.2 0.022 34.4-106.7 -52.8 163.1 -13.4 -5.4 21.7 166 173 A E H > S+ 0 0 80 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.907 122.1 58.1 -60.5 -38.0 -10.3 -7.2 20.6 167 174 A E H > S+ 0 0 136 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.889 105.9 48.2 -61.2 -38.5 -11.6 -7.1 17.0 168 175 A E H > S+ 0 0 87 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.923 109.3 52.9 -70.7 -42.0 -11.9 -3.3 17.1 169 176 A C H X S+ 0 0 9 -4,-2.1 4,-2.2 1,-0.2 5,-0.2 0.944 109.7 48.3 -54.8 -49.3 -8.4 -2.9 18.5 170 177 A L H X S+ 0 0 23 -4,-2.6 4,-3.0 1,-0.2 -1,-0.2 0.908 106.9 55.9 -65.4 -35.7 -7.0 -5.0 15.7 171 178 A E H X S+ 0 0 112 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.914 109.6 47.2 -61.6 -40.4 -8.9 -3.0 13.1 172 179 A K H X S+ 0 0 114 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.873 110.6 51.4 -67.9 -37.7 -7.3 0.1 14.4 173 180 A I H X S+ 0 0 16 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.906 107.5 53.8 -61.4 -44.5 -3.8 -1.5 14.4 174 181 A R H X S+ 0 0 89 -4,-3.0 4,-0.6 -5,-0.2 -1,-0.2 0.896 108.8 49.2 -57.6 -39.3 -4.5 -2.6 10.7 175 182 A L H >X S+ 0 0 94 -4,-1.6 3,-1.2 1,-0.2 4,-0.7 0.944 110.6 49.7 -66.3 -46.6 -5.2 1.1 9.9 176 183 A F H 3X S+ 0 0 38 -4,-2.5 4,-1.6 1,-0.2 -174,-0.3 0.877 104.3 61.2 -52.5 -41.4 -2.0 2.2 11.6 177 184 A L H 3X S+ 0 0 3 -4,-2.3 4,-2.2 1,-0.2 5,-0.3 0.668 89.3 70.8 -67.4 -19.2 0.0 -0.3 9.8 178 185 A V H S+ 0 0 1 -4,-2.3 5,-2.6 1,-0.2 6,-0.7 0.947 113.9 46.5 -63.6 -47.1 19.3 2.4 2.4 192 199 A T H ><5S+ 0 0 93 -4,-2.3 3,-0.8 2,-0.2 -1,-0.2 0.913 114.0 45.7 -53.8 -50.6 19.6 -0.1 -0.4 193 200 A Q H 3<5S+ 0 0 149 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.850 116.5 46.5 -72.1 -27.6 19.8 2.6 -3.2 194 201 A M H 3<5S- 0 0 38 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.530 106.0-128.2 -83.7 -4.4 22.4 4.5 -1.2 195 202 A N T <<5S+ 0 0 138 -3,-0.8 -3,-0.2 -4,-0.6 -4,-0.1 0.916 70.6 131.3 51.1 47.5 24.4 1.3 -0.4 196 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