==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-OCT-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 06-MAY-13 4KKJ . COMPND 2 MOLECULE: TRANSCOBALAMIN-1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR E.FURGER,D.C.FREI,R.SCHIBLI,E.FISCHER,A.E.PROTA . 398 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18549.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 277 69.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 37 9.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 30 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 145 36.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 1 1 0 1 0 2 0 3 1 2 0 1 0 0 2 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 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 0 PARALLEL BRIDGES PER LADDER . 4 2 0 1 0 1 0 0 1 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 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 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 E 0 0 72 0, 0.0 2,-0.4 0, 0.0 230,-0.1 0.000 360.0 360.0 360.0 142.8 -39.2 61.9 10.8 2 2 A I + 0 0 98 228,-0.1 2,-0.3 2,-0.0 241,-0.0 -0.990 360.0 174.6-130.2 126.3 -36.0 60.6 12.5 3 3 A a - 0 0 11 -2,-0.4 270,-0.4 267,-0.2 2,-0.3 -0.960 9.3-163.2-126.3 149.4 -35.8 59.4 16.1 4 4 A E - 0 0 98 -2,-0.3 2,-0.4 268,-0.2 268,-0.2 -0.834 34.9 -86.8-125.8 162.7 -32.8 57.9 17.9 5 5 A V - 0 0 3 266,-2.5 5,-0.1 -2,-0.3 242,-0.0 -0.587 54.8-113.3 -64.3 122.2 -32.1 55.9 21.0 6 6 A S > - 0 0 57 -2,-0.4 3,-2.3 1,-0.2 4,-0.2 -0.363 18.3-123.7 -58.1 138.4 -31.7 58.5 23.8 7 7 A E G > S+ 0 0 159 1,-0.3 3,-0.5 2,-0.2 4,-0.2 0.702 115.7 62.2 -61.1 -18.0 -28.1 58.5 25.0 8 8 A E G 3 S+ 0 0 160 1,-0.2 -1,-0.3 2,-0.1 3,-0.3 0.752 109.6 40.3 -73.4 -26.0 -29.7 57.8 28.4 9 9 A N G X S+ 0 0 35 -3,-2.3 3,-1.4 1,-0.2 4,-0.2 0.175 81.0 108.1-107.3 16.2 -31.0 54.6 26.9 10 10 A Y G X + 0 0 76 -3,-0.5 3,-1.6 1,-0.3 -1,-0.2 0.789 70.0 68.0 -60.4 -28.3 -27.9 53.7 25.0 11 11 A I G > S+ 0 0 122 -3,-0.3 3,-1.7 1,-0.3 -1,-0.3 0.755 84.6 70.6 -64.6 -24.3 -27.3 50.9 27.5 12 12 A R G < S+ 0 0 104 -3,-1.4 -1,-0.3 1,-0.3 4,-0.2 0.680 89.5 62.4 -67.1 -17.2 -30.4 49.1 26.2 13 13 A L G X> S+ 0 0 4 -3,-1.6 4,-1.8 -4,-0.2 3,-0.8 0.491 73.5 101.0 -87.6 -4.0 -28.4 48.4 23.0 14 14 A K H <> S+ 0 0 74 -3,-1.7 4,-3.0 1,-0.2 5,-0.2 0.854 73.5 58.1 -47.3 -46.9 -25.9 46.3 24.9 15 15 A P H 3> S+ 0 0 50 0, 0.0 4,-3.2 0, 0.0 -1,-0.2 0.882 107.2 47.9 -56.5 -39.3 -27.4 42.9 23.9 16 16 A L H <> S+ 0 0 1 -3,-0.8 4,-2.9 2,-0.2 5,-0.3 0.928 111.1 51.6 -63.7 -45.8 -26.9 43.7 20.2 17 17 A L H X S+ 0 0 43 -4,-1.8 4,-1.5 2,-0.2 -1,-0.2 0.945 115.0 41.5 -55.1 -52.7 -23.4 44.8 20.9 18 18 A N H X S+ 0 0 63 -4,-3.0 4,-2.2 2,-0.2 3,-0.4 0.953 113.1 53.6 -59.4 -52.4 -22.7 41.5 22.7 19 19 A T H X S+ 0 0 28 -4,-3.2 4,-0.7 1,-0.3 -2,-0.2 0.895 110.0 47.0 -50.2 -48.2 -24.5 39.4 20.2 20 20 A M H < S+ 0 0 1 -4,-2.9 3,-0.4 1,-0.2 -1,-0.3 0.816 109.3 56.0 -66.5 -30.4 -22.5 40.9 17.3 21 21 A I H >< S+ 0 0 62 -4,-1.5 3,-1.9 -3,-0.4 4,-0.2 0.914 101.2 55.5 -67.0 -42.6 -19.3 40.3 19.3 22 22 A Q H >< S+ 0 0 110 -4,-2.2 3,-1.2 1,-0.3 -1,-0.2 0.681 87.8 81.0 -65.3 -16.7 -20.0 36.6 19.7 23 23 A S G >< S+ 0 0 4 -4,-0.7 3,-0.9 -3,-0.4 -1,-0.3 0.752 73.9 78.1 -58.7 -25.2 -20.3 36.4 15.9 24 24 A N G < S+ 0 0 41 -3,-1.9 2,-1.1 1,-0.3 -1,-0.2 0.886 86.1 58.1 -49.0 -46.3 -16.5 36.3 16.0 25 25 A Y G < S+ 0 0 214 -3,-1.2 -1,-0.3 -4,-0.2 2,-0.2 -0.204 92.8 81.5 -83.5 45.1 -16.6 32.6 16.9 26 26 A N < + 0 0 69 -2,-1.1 3,-0.4 -3,-0.9 -1,-0.1 -0.613 43.0 173.8-153.2 88.2 -18.6 31.6 13.9 27 27 A R S S+ 0 0 145 1,-0.2 4,-0.1 -2,-0.2 -1,-0.1 0.730 83.0 66.8 -64.3 -21.0 -16.8 31.1 10.5 28 28 A G S S+ 0 0 43 -3,-0.1 318,-0.3 2,-0.1 -1,-0.2 0.933 94.0 61.5 -65.4 -48.7 -20.2 30.0 9.2 29 29 A T S S- 0 0 4 -3,-0.4 2,-0.3 -6,-0.2 318,-0.1 -0.289 91.8-104.7 -77.8 164.8 -21.9 33.4 9.5 30 30 A S - 0 0 31 1,-0.1 4,-0.3 316,-0.1 -1,-0.1 -0.671 18.0-165.2 -90.7 145.4 -20.9 36.5 7.7 31 31 A A S > S+ 0 0 0 -2,-0.3 4,-2.8 20,-0.1 5,-0.3 0.453 74.4 85.3-102.2 -5.8 -19.0 39.4 9.4 32 32 A V H > S+ 0 0 10 2,-0.2 4,-2.9 1,-0.2 5,-0.1 0.968 94.0 37.3 -62.2 -58.5 -19.7 41.8 6.5 33 33 A N H > S+ 0 0 19 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.842 116.7 55.0 -64.7 -33.4 -23.1 43.0 7.5 34 34 A V H > S+ 0 0 0 -4,-0.3 4,-1.8 2,-0.2 -2,-0.2 0.951 114.1 38.9 -63.2 -50.5 -22.1 42.9 11.2 35 35 A V H X S+ 0 0 7 -4,-2.8 4,-2.9 1,-0.2 5,-0.3 0.873 111.4 61.6 -67.2 -36.4 -19.1 45.2 10.5 36 36 A L H X S+ 0 0 4 -4,-2.9 4,-1.6 -5,-0.3 -2,-0.2 0.937 108.0 41.2 -53.6 -53.0 -21.2 47.2 8.1 37 37 A S H X S+ 0 0 2 -4,-2.3 4,-1.2 2,-0.2 -1,-0.2 0.927 115.5 50.2 -63.0 -47.8 -23.7 48.3 10.8 38 38 A L H ><>S+ 0 0 8 -4,-1.8 5,-2.8 1,-0.2 3,-0.8 0.929 112.1 46.2 -56.7 -50.5 -21.0 48.9 13.4 39 39 A K H ><5S+ 0 0 13 -4,-2.9 3,-1.3 1,-0.2 -1,-0.2 0.836 108.0 59.4 -61.7 -33.4 -18.9 51.0 11.2 40 40 A L H 3<5S+ 0 0 11 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.743 106.0 46.5 -70.6 -26.1 -22.0 52.9 10.1 41 41 A V T <<5S- 0 0 17 -4,-1.2 -1,-0.3 -3,-0.8 -2,-0.2 0.184 124.1-101.7-101.9 15.9 -22.7 54.0 13.7 42 42 A G T < 5S+ 0 0 22 -3,-1.3 2,-0.5 1,-0.2 -3,-0.2 0.702 82.1 130.0 75.2 20.3 -19.1 55.0 14.3 43 43 A I < - 0 0 21 -5,-2.8 2,-0.5 -6,-0.2 -1,-0.2 -0.929 38.7-164.2-108.4 127.7 -18.2 51.9 16.2 44 44 A Q - 0 0 66 -2,-0.5 2,-0.5 245,-0.4 -9,-0.0 -0.939 8.9-174.9-114.8 129.8 -15.1 49.9 15.3 45 45 A I > - 0 0 28 -2,-0.5 4,-2.8 1,-0.2 3,-0.3 -0.933 7.7-166.0-122.8 107.4 -14.3 46.4 16.4 46 46 A Q H > S+ 0 0 116 -2,-0.5 4,-3.5 1,-0.2 5,-0.3 0.911 87.1 56.4 -55.9 -48.0 -10.9 45.2 15.3 47 47 A T H > S+ 0 0 80 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.853 115.8 36.4 -56.3 -40.1 -11.7 41.5 16.1 48 48 A L H > S+ 0 0 0 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.833 115.1 55.2 -81.3 -35.5 -14.7 41.5 13.8 49 49 A M H X S+ 0 0 15 -4,-2.8 4,-1.9 2,-0.2 -2,-0.2 0.895 108.0 50.3 -63.7 -39.4 -13.0 43.8 11.2 50 50 A Q H X S+ 0 0 111 -4,-3.5 4,-1.8 1,-0.2 -1,-0.2 0.904 109.7 50.5 -62.7 -42.8 -10.1 41.4 11.0 51 51 A K H X S+ 0 0 15 -4,-1.2 4,-1.9 -5,-0.3 -2,-0.2 0.860 107.2 56.0 -62.9 -36.3 -12.6 38.5 10.5 52 52 A M H X S+ 0 0 2 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.942 106.9 46.2 -62.8 -51.6 -14.3 40.5 7.7 53 53 A I H X S+ 0 0 24 -4,-1.9 4,-3.5 1,-0.2 5,-0.4 0.888 108.3 59.0 -58.6 -40.4 -11.1 41.0 5.7 54 54 A Q H X S+ 0 0 72 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.925 110.7 40.7 -53.5 -49.0 -10.3 37.3 6.1 55 55 A Q H X S+ 0 0 20 -4,-1.9 4,-1.3 2,-0.2 -1,-0.2 0.890 115.3 52.0 -68.0 -40.6 -13.6 36.3 4.5 56 56 A I H X S+ 0 0 6 -4,-2.6 4,-1.0 2,-0.2 3,-0.4 0.934 113.2 42.8 -62.8 -48.6 -13.3 39.0 1.8 57 57 A K H X S+ 0 0 110 -4,-3.5 4,-1.1 1,-0.2 3,-0.3 0.848 112.1 56.0 -65.5 -33.7 -9.8 38.0 0.8 58 58 A Y H < S+ 0 0 119 -4,-1.8 -1,-0.2 -5,-0.4 -2,-0.2 0.774 111.6 43.8 -68.3 -24.9 -10.9 34.4 1.0 59 59 A N H < S+ 0 0 34 -4,-1.3 -1,-0.2 -3,-0.4 -2,-0.2 0.552 100.6 64.7-101.9 -9.9 -13.6 35.1 -1.5 60 60 A V H < S+ 0 0 35 -4,-1.0 2,-0.7 -3,-0.3 -2,-0.2 0.860 103.3 53.3 -78.2 -37.2 -11.8 37.2 -4.0 61 61 A K S < S- 0 0 147 -4,-1.1 -1,-0.2 -5,-0.1 0, 0.0 -0.906 129.5 -11.7 -94.6 116.1 -9.7 34.2 -4.9 62 62 A S S S+ 0 0 80 -2,-0.7 -1,-0.0 1,-0.1 0, 0.0 0.274 126.0 51.4 65.8 157.2 -12.2 31.5 -5.7 63 63 A R S >> S+ 0 0 115 1,-0.1 4,-2.4 -3,-0.1 3,-0.8 0.311 74.2 126.6 64.5 -9.6 -15.9 31.8 -4.9 64 64 A L T 34 S+ 0 0 67 1,-0.3 -1,-0.1 2,-0.2 -5,-0.1 0.798 81.9 30.5 -44.3 -38.9 -15.5 35.1 -6.9 65 65 A S T 34 S+ 0 0 100 1,-0.1 -1,-0.3 37,-0.0 -5,-0.0 0.564 114.4 62.5 -98.6 -13.2 -18.3 34.1 -9.2 66 66 A D T <4 S+ 0 0 109 -3,-0.8 -2,-0.2 -7,-0.1 2,-0.2 0.650 81.9 97.0 -86.7 -18.1 -20.1 32.1 -6.5 67 67 A V S < S- 0 0 13 -4,-2.4 2,-0.1 -8,-0.2 -4,-0.0 -0.523 81.8-119.8 -66.1 135.6 -20.6 35.2 -4.4 68 68 A S > - 0 0 20 -2,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.374 17.6-112.6 -77.3 160.6 -24.1 36.7 -5.1 69 69 A S H > S+ 0 0 3 33,-0.2 4,-2.5 1,-0.2 5,-0.1 0.950 118.3 45.3 -55.5 -54.0 -24.6 40.2 -6.5 70 70 A G H > S+ 0 0 1 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.887 109.7 55.3 -58.3 -42.5 -26.1 41.5 -3.2 71 71 A E H > S+ 0 0 73 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.901 109.9 46.3 -58.2 -42.9 -23.4 39.8 -1.1 72 72 A L H X S+ 0 0 8 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.903 109.7 54.4 -65.1 -42.2 -20.8 41.6 -3.2 73 73 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.908 108.7 49.2 -56.8 -43.1 -22.8 44.8 -2.8 74 74 A L H X S+ 0 0 36 -4,-2.7 4,-2.7 2,-0.2 -1,-0.2 0.914 109.5 51.1 -63.0 -44.8 -22.7 44.4 0.9 75 75 A I H X S+ 0 0 20 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.937 110.1 50.1 -56.2 -48.3 -19.0 43.7 0.9 76 76 A I H X S+ 0 0 1 -4,-2.8 4,-0.9 1,-0.2 -1,-0.2 0.891 112.2 47.7 -58.4 -41.8 -18.5 46.9 -1.1 77 77 A L H < S+ 0 0 0 -4,-2.2 3,-0.4 1,-0.2 -1,-0.2 0.906 109.7 51.4 -67.1 -44.1 -20.6 48.9 1.4 78 78 A A H < S+ 0 0 0 -4,-2.7 3,-0.5 1,-0.2 -1,-0.2 0.830 112.7 46.5 -63.9 -32.5 -18.9 47.5 4.5 79 79 A L H < S+ 0 0 0 -4,-1.9 5,-0.3 -5,-0.2 -1,-0.2 0.693 119.0 41.3 -81.3 -19.2 -15.5 48.5 3.1 80 80 A G < + 0 0 0 -4,-0.9 -1,-0.2 -3,-0.4 -2,-0.2 0.048 69.7 114.2-123.4 26.5 -16.6 51.9 2.0 81 81 A V S S- 0 0 5 -3,-0.5 199,-1.7 -4,-0.2 2,-0.2 0.942 98.6 -7.2 -58.8 -49.7 -18.7 53.3 4.9 82 82 A b S S- 0 0 6 -4,-0.2 2,-0.8 197,-0.2 199,-0.1 -0.781 95.7 -78.3-132.8-179.1 -16.1 55.9 5.5 83 83 A R + 0 0 156 -2,-0.2 2,-0.3 197,-0.2 202,-0.2 -0.768 65.5 130.0 -93.9 111.8 -12.6 56.5 4.0 84 84 A N S > S- 0 0 33 -2,-0.8 3,-1.2 -5,-0.3 4,-0.4 -0.845 71.4 -85.2-139.7-178.0 -9.8 54.3 5.4 85 85 A A G > S+ 0 0 70 -2,-0.3 3,-1.4 1,-0.3 4,-0.2 0.838 122.6 61.0 -59.0 -35.0 -7.0 52.1 4.0 86 86 A E G > S+ 0 0 67 1,-0.3 3,-1.5 2,-0.2 4,-0.3 0.721 88.3 72.6 -68.9 -21.3 -9.3 49.1 3.7 87 87 A E G X> S+ 0 0 7 -3,-1.2 3,-2.1 1,-0.3 4,-0.7 0.804 80.9 73.8 -61.6 -29.6 -11.5 51.1 1.3 88 88 A N H <> S+ 0 0 87 -3,-1.4 4,-1.7 -4,-0.4 3,-0.4 0.773 80.0 73.0 -53.5 -27.9 -8.7 50.6 -1.3 89 89 A L H <> S+ 0 0 23 -3,-1.5 4,-1.9 -4,-0.2 6,-0.4 0.782 89.3 60.1 -60.5 -27.9 -9.9 47.0 -1.5 90 90 A I H <4>S+ 0 0 1 -3,-2.1 5,-1.3 -4,-0.3 6,-0.6 0.941 115.5 32.0 -61.0 -47.6 -12.9 48.3 -3.5 91 91 A Y H <5S+ 0 0 108 -4,-0.7 -2,-0.2 -3,-0.4 -1,-0.2 0.523 116.7 58.3 -93.6 -7.4 -10.6 49.8 -6.1 92 92 A D H <5S+ 0 0 89 -4,-1.7 -3,-0.2 -5,-0.2 -2,-0.2 0.886 113.4 35.4 -83.3 -45.6 -7.9 47.2 -5.8 93 93 A Y T <5S- 0 0 70 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.1 0.178 106.3-121.4 -96.6 16.0 -10.1 44.1 -6.6 94 94 A H T >>5 + 0 0 112 1,-0.1 4,-2.4 3,-0.1 3,-0.5 0.756 53.0 162.8 52.4 29.5 -12.2 46.0 -9.1 95 95 A L H 3>< + 0 0 10 -5,-1.3 4,-2.5 -6,-0.4 5,-0.1 0.789 68.5 53.9 -51.6 -36.7 -15.2 45.1 -6.9 96 96 A I H 3> S+ 0 0 15 -6,-0.6 4,-2.5 2,-0.2 -1,-0.3 0.937 110.3 45.8 -64.9 -46.5 -17.4 47.8 -8.5 97 97 A D H <> S+ 0 0 79 -3,-0.5 4,-1.4 1,-0.2 -2,-0.2 0.865 113.2 51.9 -61.8 -35.6 -16.7 46.4 -12.0 98 98 A K H X S+ 0 0 59 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.879 109.2 49.3 -66.7 -38.9 -17.3 43.0 -10.5 99 99 A L H X S+ 0 0 1 -4,-2.5 4,-3.2 -5,-0.2 5,-0.3 0.885 105.7 56.9 -68.7 -38.7 -20.7 44.2 -9.1 100 100 A E H X S+ 0 0 36 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.869 110.8 44.9 -58.3 -38.1 -21.6 45.7 -12.5 101 101 A N H X S+ 0 0 107 -4,-1.4 4,-2.3 2,-0.2 -2,-0.2 0.931 114.7 46.1 -71.9 -46.8 -21.2 42.2 -14.0 102 102 A K H X S+ 0 0 27 -4,-2.4 4,-1.4 2,-0.2 -33,-0.2 0.874 114.0 49.9 -64.2 -37.5 -23.0 40.4 -11.2 103 103 A F H X S+ 0 0 14 -4,-3.2 4,-1.7 2,-0.2 -1,-0.2 0.908 110.2 49.7 -66.0 -43.0 -25.8 43.0 -11.4 104 104 A Q H X S+ 0 0 94 -4,-1.9 4,-2.9 -5,-0.3 -2,-0.2 0.865 105.1 58.8 -63.8 -35.7 -26.0 42.6 -15.2 105 105 A A H X S+ 0 0 26 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.882 103.2 52.4 -59.3 -39.2 -26.2 38.8 -14.6 106 106 A E H X S+ 0 0 2 -4,-1.4 4,-1.3 1,-0.2 -1,-0.2 0.911 110.6 48.4 -61.2 -42.6 -29.3 39.4 -12.5 107 107 A I H X S+ 0 0 3 -4,-1.7 4,-1.0 1,-0.2 3,-0.3 0.919 107.3 54.6 -63.3 -47.2 -30.7 41.4 -15.4 108 108 A E H >X S+ 0 0 112 -4,-2.9 4,-2.9 1,-0.2 3,-0.8 0.898 107.0 50.9 -54.4 -44.7 -29.9 38.8 -18.0 109 109 A N H 3X S+ 0 0 19 -4,-2.0 4,-1.7 1,-0.3 6,-0.4 0.827 102.0 60.7 -65.8 -32.4 -31.7 36.1 -16.0 110 110 A M H 3< S+ 0 0 15 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.754 114.5 36.3 -65.9 -24.5 -34.8 38.3 -15.8 111 111 A E H << S+ 0 0 124 -4,-1.0 -2,-0.2 -3,-0.8 -1,-0.2 0.808 114.5 53.7 -94.0 -39.2 -35.0 38.3 -19.6 112 112 A A H < S+ 0 0 76 -4,-2.9 2,-0.2 -5,-0.2 -2,-0.2 0.716 123.0 31.1 -66.4 -20.8 -33.8 34.7 -20.0 113 113 A H S < S- 0 0 82 -4,-1.7 249,-0.0 -5,-0.2 0, 0.0 -0.616 111.4 -74.3-128.0-170.1 -36.6 33.8 -17.6 114 114 A N S S- 0 0 146 248,-0.2 -4,-0.1 -2,-0.2 -3,-0.1 0.477 95.0 -62.6 -74.3 -0.0 -40.1 35.2 -16.8 115 115 A G S S+ 0 0 13 -6,-0.4 -5,-0.2 1,-0.3 -1,-0.2 0.433 97.6 130.3 129.7 13.2 -38.8 38.2 -14.9 116 116 A T - 0 0 4 -7,-0.4 -1,-0.3 -6,-0.1 -3,-0.2 -0.841 46.1-143.8-100.0 128.3 -37.0 36.5 -12.0 117 117 A P - 0 0 0 0, 0.0 -11,-0.1 0, 0.0 -10,-0.1 -0.132 34.3 -97.5 -75.2-179.5 -33.4 37.5 -11.2 118 118 A L S S- 0 0 87 2,-0.1 243,-0.1 244,-0.0 244,-0.1 0.839 113.0 -0.6 -66.5 -32.6 -30.7 35.2 -10.0 119 119 A T S S- 0 0 21 1,-0.1 2,-0.3 242,-0.0 3,-0.0 0.503 106.4 -69.0-118.5 -97.4 -31.6 36.2 -6.5 120 120 A N > - 0 0 47 -4,-0.1 4,-2.4 1,-0.0 3,-0.4 -0.979 37.0 -96.9-165.0 164.3 -34.2 38.8 -5.5 121 121 A Y H > S+ 0 0 1 32,-0.4 4,-3.0 -2,-0.3 5,-0.2 0.755 117.4 64.7 -64.5 -25.8 -35.1 42.5 -5.6 122 122 A Y H > S+ 0 0 40 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.954 110.7 36.3 -59.0 -49.9 -33.8 42.9 -2.1 123 123 A Q H > S+ 0 0 29 -3,-0.4 4,-2.7 2,-0.2 -2,-0.2 0.876 114.2 57.5 -69.3 -38.2 -30.3 42.1 -3.4 124 124 A L H X S+ 0 0 1 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.916 107.0 48.7 -58.3 -44.0 -31.0 43.9 -6.6 125 125 A S H X S+ 0 0 0 -4,-3.0 4,-2.8 1,-0.2 -1,-0.2 0.911 109.2 52.5 -61.1 -45.0 -31.7 47.0 -4.6 126 126 A L H X S+ 0 0 4 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.901 109.2 51.4 -55.7 -42.9 -28.5 46.5 -2.7 127 127 A D H X S+ 0 0 0 -4,-2.7 4,-2.9 2,-0.2 5,-0.3 0.965 111.9 43.9 -59.1 -56.7 -26.7 46.3 -6.0 128 128 A V H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.896 113.6 52.4 -57.3 -42.4 -28.1 49.5 -7.3 129 129 A L H X S+ 0 0 0 -4,-2.8 4,-2.8 2,-0.2 -1,-0.2 0.931 112.2 44.6 -60.1 -47.7 -27.5 51.2 -4.0 130 130 A A H X S+ 0 0 1 -4,-2.5 4,-1.9 2,-0.2 6,-0.3 0.937 114.7 47.7 -63.0 -49.7 -23.9 50.2 -3.9 131 131 A L H <>S+ 0 0 1 -4,-2.9 5,-3.3 1,-0.2 -1,-0.2 0.877 114.2 49.8 -57.3 -38.8 -23.3 51.1 -7.6 132 132 A c H ><5S+ 0 0 6 -4,-2.6 3,-1.2 -5,-0.3 -2,-0.2 0.936 110.9 46.0 -67.6 -48.9 -25.0 54.4 -6.9 133 133 A L H 3<5S+ 0 0 32 -4,-2.8 148,-0.3 1,-0.3 -1,-0.2 0.807 118.5 43.3 -64.9 -30.1 -23.0 55.4 -3.8 134 134 A F T 3<5S- 0 0 4 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 -0.033 113.3-109.0-112.0 30.5 -19.7 54.4 -5.4 135 135 A N T < 5 + 0 0 77 -3,-1.2 -3,-0.2 1,-0.1 -4,-0.1 0.749 58.7 169.2 52.4 31.0 -20.2 55.9 -8.9 136 136 A G < - 0 0 6 -5,-3.3 2,-1.0 -6,-0.3 -1,-0.1 -0.255 44.4 -97.3 -69.1 160.5 -20.5 52.5 -10.5 137 137 A N + 0 0 126 -41,-0.1 2,-0.3 2,-0.0 -1,-0.1 -0.715 62.5 147.5 -84.7 103.9 -21.7 52.2 -14.1 138 138 A Y - 0 0 17 -2,-1.0 2,-0.9 -7,-0.1 3,-0.1 -0.973 50.0-111.9-136.6 152.6 -25.4 51.4 -14.0 139 139 A S > - 0 0 60 -2,-0.3 4,-1.7 1,-0.2 3,-0.3 -0.743 16.8-167.2 -89.9 107.1 -28.3 52.2 -16.3 140 140 A T H > S+ 0 0 15 -2,-0.9 4,-1.9 45,-0.3 -1,-0.2 0.792 93.4 57.5 -57.3 -28.9 -30.7 54.6 -14.7 141 141 A A H > S+ 0 0 55 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.887 104.2 49.2 -69.1 -40.1 -33.1 53.7 -17.5 142 142 A E H > S+ 0 0 57 -3,-0.3 4,-1.8 2,-0.2 -2,-0.2 0.800 107.3 57.7 -71.3 -27.6 -32.9 50.0 -16.6 143 143 A V H X S+ 0 0 2 -4,-1.7 4,-1.4 2,-0.2 -2,-0.2 0.956 106.7 46.0 -62.9 -52.5 -33.7 51.0 -13.0 144 144 A V H < S+ 0 0 20 -4,-1.9 4,-0.3 1,-0.2 -2,-0.2 0.843 111.4 56.0 -59.5 -34.1 -36.9 52.7 -14.0 145 145 A N H < S+ 0 0 103 -4,-1.6 3,-0.3 1,-0.2 -1,-0.2 0.911 117.2 29.1 -65.1 -44.0 -37.8 49.7 -16.1 146 146 A H H < S+ 0 0 20 -4,-1.8 -1,-0.2 -3,-0.2 -2,-0.2 0.490 108.0 66.6-102.1 -4.5 -37.5 47.0 -13.4 147 147 A F < + 0 0 2 -4,-1.4 -1,-0.2 -5,-0.1 -2,-0.1 0.290 58.5 141.1-107.7 11.2 -38.4 48.8 -10.1 148 148 A T > - 0 0 56 -3,-0.3 3,-2.5 -4,-0.3 46,-0.0 -0.293 59.3-123.6 -54.7 132.9 -42.1 49.7 -10.6 149 149 A P T 3 S+ 0 0 9 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.705 109.9 57.4 -53.5 -26.2 -44.0 49.2 -7.3 150 150 A E T 3 S+ 0 0 139 3,-0.0 -2,-0.1 4,-0.0 2,-0.1 0.303 78.1 128.1 -92.0 9.5 -46.4 46.8 -9.0 151 151 A N X - 0 0 32 -3,-2.5 3,-1.4 1,-0.1 4,-0.2 -0.371 67.3-126.1 -62.7 143.9 -43.6 44.5 -10.0 152 152 A K G > S+ 0 0 72 1,-0.3 3,-1.7 2,-0.2 -1,-0.1 0.780 102.6 70.2 -64.5 -26.7 -44.1 40.9 -9.0 153 153 A N G 3 S+ 0 0 14 1,-0.3 -32,-0.4 -38,-0.1 -1,-0.3 0.433 86.7 65.5 -78.1 2.8 -40.7 40.7 -7.2 154 154 A Y G < S+ 0 0 0 -3,-1.4 7,-2.3 -5,-0.1 2,-0.3 0.556 100.0 63.1 -91.2 -11.5 -41.9 43.0 -4.4 155 155 A Y E < -A 160 0A 41 -3,-1.7 2,-0.5 5,-0.2 5,-0.2 -0.860 59.7-158.4-123.0 148.2 -44.4 40.4 -3.3 156 156 A F E > S-A 159 0A 82 3,-3.6 3,-1.2 -2,-0.3 2,-0.9 -0.834 78.8 -50.1-122.4 91.2 -44.3 36.9 -1.8 157 157 A G T 3 S- 0 0 17 -2,-0.5 241,-0.1 1,-0.3 -2,-0.1 -0.752 122.6 -26.8 80.8-106.5 -47.7 35.5 -2.5 158 158 A S T 3 S+ 0 0 116 -2,-0.9 -1,-0.3 240,-0.1 2,-0.2 0.589 119.7 99.6-109.6 -23.5 -50.0 38.2 -1.1 159 159 A Q E < -A 156 0A 82 -3,-1.2 -3,-3.6 -4,-0.1 2,-0.6 -0.468 69.5-138.1 -68.9 128.7 -47.5 39.5 1.3 160 160 A F E -A 155 0A 8 -5,-0.2 2,-1.0 -2,-0.2 -5,-0.2 -0.810 24.8-121.0 -86.8 117.4 -45.6 42.6 0.3 161 161 A S > - 0 0 9 -7,-2.3 4,-2.7 -2,-0.6 5,-0.2 -0.444 26.5-171.3 -65.7 99.4 -41.9 42.2 1.3 162 162 A V H > S+ 0 0 0 -2,-1.0 4,-2.9 1,-0.2 5,-0.2 0.894 86.4 55.6 -56.8 -43.1 -41.3 45.2 3.6 163 163 A D H > S+ 0 0 42 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.941 110.6 45.1 -54.2 -50.1 -37.6 44.3 3.6 164 164 A T H > S+ 0 0 4 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.943 114.2 46.9 -60.8 -52.1 -37.5 44.5 -0.2 165 165 A G H X S+ 0 0 0 -4,-2.7 4,-2.8 -11,-0.2 -1,-0.2 0.891 111.8 51.8 -57.9 -41.6 -39.5 47.7 -0.5 166 166 A A H X S+ 0 0 0 -4,-2.9 4,-2.0 -5,-0.2 -1,-0.2 0.934 112.8 43.4 -63.0 -47.7 -37.4 49.4 2.2 167 167 A M H X S+ 0 0 0 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.869 112.5 54.4 -66.9 -37.2 -34.1 48.5 0.5 168 168 A A H X S+ 0 0 0 -4,-2.7 4,-3.3 -5,-0.2 5,-0.3 0.943 107.1 51.2 -58.2 -48.7 -35.7 49.5 -2.8 169 169 A V H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.907 109.4 50.0 -55.4 -45.9 -36.6 52.9 -1.4 170 170 A L H X S+ 0 0 0 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.942 114.7 43.5 -59.8 -49.4 -33.0 53.5 -0.1 171 171 A A H X S+ 0 0 1 -4,-2.4 4,-2.0 1,-0.2 3,-0.3 0.955 113.7 49.7 -60.6 -53.6 -31.5 52.6 -3.5 172 172 A L H X S+ 0 0 1 -4,-3.3 4,-2.1 1,-0.3 -1,-0.2 0.842 109.7 52.9 -55.4 -36.8 -34.1 54.6 -5.5 173 173 A T H X S+ 0 0 8 -4,-2.3 4,-1.9 -5,-0.3 -1,-0.3 0.878 105.2 54.8 -67.2 -38.3 -33.4 57.6 -3.2 174 174 A c H X S+ 0 0 7 -4,-1.8 4,-2.8 -3,-0.3 -2,-0.2 0.918 109.6 45.9 -61.8 -45.4 -29.7 57.3 -3.8 175 175 A V H X S+ 0 0 0 -4,-2.0 4,-1.5 2,-0.2 -1,-0.2 0.907 108.7 57.7 -60.9 -42.1 -30.3 57.5 -7.6 176 176 A K H X S+ 0 0 40 -4,-2.1 4,-1.4 1,-0.2 -2,-0.2 0.857 112.5 40.1 -56.5 -37.9 -32.7 60.4 -6.9 177 177 A K H X S+ 0 0 119 -4,-1.9 4,-2.6 2,-0.2 6,-0.3 0.877 111.6 55.8 -78.0 -39.9 -29.8 62.3 -5.2 178 178 A S H < S+ 0 0 9 -4,-2.8 6,-1.2 1,-0.2 5,-0.3 0.696 109.7 49.4 -66.0 -18.7 -27.2 61.2 -7.8 179 179 A L H < S+ 0 0 40 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.872 108.6 48.7 -86.5 -43.6 -29.5 62.7 -10.4 180 180 A I H < S+ 0 0 114 -4,-1.4 -2,-0.2 -5,-0.2 2,-0.2 0.934 111.3 57.3 -64.1 -48.0 -30.0 66.1 -8.7 181 181 A N S >< S- 0 0 93 -4,-2.6 3,-0.7 1,-0.1 0, 0.0 -0.508 105.0-113.1 -69.9 154.2 -26.3 66.3 -8.2 182 182 A G T 3 S+ 0 0 67 1,-0.2 -3,-0.1 -2,-0.2 -1,-0.1 0.128 85.7 118.1 -77.2 26.3 -24.5 66.0 -11.5 183 183 A Q T 3 S+ 0 0 95 -5,-0.3 2,-0.3 -6,-0.3 -1,-0.2 0.702 82.0 6.4 -71.4 -21.2 -23.1 62.7 -10.3 184 184 A I S < S- 0 0 54 -6,-1.2 2,-0.3 -3,-0.7 -1,-0.2 -0.982 73.6-118.3-158.9 155.1 -24.8 60.8 -13.1 185 185 A K + 0 0 149 -2,-0.3 2,-0.3 -3,-0.1 -45,-0.3 -0.663 31.4 177.5 -96.9 149.5 -26.8 61.4 -16.3 186 186 A A - 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