==== 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 CYTOKINE 22-AUG-97 1ITF . COMPND 2 MOLECULE: INTERFERON ALPHA-2A; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR W.KLAUS,B.GSELL,A.M.LABHARDT,B.WIPF,H.SENN . 165 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9563.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 110 66.7 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 . 0 0.0 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 . 0 0.0 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 . 1 0.6 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 . 7 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 52.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.2 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 1 0 0 0 0 0 1 0 0 0 1 0 0 1 0 0 1 1 0 0 0 0 0 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 . 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 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 1 A a 0 0 60 0, 0.0 97,-0.1 0, 0.0 49,-0.1 0.000 360.0 360.0 360.0 164.2 25.7 -34.6 14.0 2 2 A D + 0 0 127 96,-0.1 3,-0.1 3,-0.0 96,-0.0 -0.299 360.0 110.0-149.0 56.9 26.4 -38.3 13.2 3 3 A L S S+ 0 0 69 1,-0.2 2,-0.7 91,-0.1 91,-0.0 0.892 70.5 56.4 -96.8 -55.2 27.7 -39.9 16.4 4 4 A P + 0 0 49 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.683 60.3 169.5 -81.9 113.2 24.8 -42.2 17.5 5 5 A Q + 0 0 160 -2,-0.7 3,-0.1 -3,-0.1 -3,-0.0 -0.530 50.6 76.1-122.9 67.1 24.0 -44.5 14.5 6 6 A T S S- 0 0 113 1,-0.5 2,-0.2 -2,-0.3 -1,-0.0 0.463 95.1 -10.4-134.0 -74.4 21.6 -47.1 16.0 7 7 A H - 0 0 151 1,-0.0 -1,-0.5 0, 0.0 3,-0.0 -0.701 36.6-168.1-126.3-179.6 18.0 -46.1 16.6 8 8 A S + 0 0 65 -2,-0.2 3,-0.2 -3,-0.1 4,-0.1 0.133 66.7 88.7-157.9 24.1 15.9 -42.8 16.6 9 9 A L > + 0 0 60 1,-0.1 4,-1.1 2,-0.1 5,-0.1 -0.118 48.0 111.9-119.0 37.3 12.6 -43.7 18.1 10 10 A G H > S+ 0 0 10 2,-0.2 4,-2.3 1,-0.2 81,-0.1 0.829 74.3 57.5 -78.3 -30.4 13.4 -43.0 21.8 11 11 A S H > S+ 0 0 4 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.914 103.7 52.2 -66.6 -40.0 11.1 -40.0 22.0 12 12 A R H > S+ 0 0 91 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.898 111.8 47.1 -63.1 -36.8 8.1 -42.1 20.9 13 13 A R H X S+ 0 0 101 -4,-1.1 4,-2.4 2,-0.2 -2,-0.2 0.895 107.4 56.5 -71.8 -37.1 9.0 -44.6 23.7 14 14 A T H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.931 113.1 40.9 -59.4 -42.9 9.4 -41.7 26.2 15 15 A L H X S+ 0 0 13 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.871 109.5 58.9 -74.5 -32.8 5.8 -40.5 25.5 16 16 A M H X S+ 0 0 93 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.904 107.0 49.0 -61.6 -35.1 4.6 -44.2 25.4 17 17 A L H X S+ 0 0 1 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.948 108.1 52.1 -67.5 -45.7 5.9 -44.3 29.0 18 18 A L H X S+ 0 0 0 -4,-1.8 4,-0.9 1,-0.2 -1,-0.2 0.841 108.5 54.1 -58.7 -30.9 4.0 -41.1 29.8 19 19 A A H >< S+ 0 0 21 -4,-2.1 3,-0.8 1,-0.2 -2,-0.2 0.961 111.2 41.2 -70.0 -50.0 0.9 -42.8 28.4 20 20 A Q H 3< S+ 0 0 99 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.761 108.9 64.7 -68.5 -21.0 1.1 -45.9 30.6 21 21 A M H 3< S+ 0 0 0 -4,-2.0 2,-0.3 -5,-0.2 56,-0.2 0.793 76.5 99.3 -73.4 -26.5 2.0 -43.5 33.5 22 22 A R << - 0 0 123 -4,-0.9 3,-0.1 -3,-0.8 54,-0.1 -0.440 47.4-179.2 -64.3 124.2 -1.4 -41.7 33.5 23 23 A K S S+ 0 0 100 -2,-0.3 2,-0.2 114,-0.1 -1,-0.2 0.825 70.1 30.9 -90.7 -36.4 -3.5 -43.3 36.2 24 24 A I S S- 0 0 52 113,-0.2 2,-0.3 5,-0.0 -1,-0.0 -0.695 88.3-106.9-115.9 170.5 -6.5 -41.1 35.5 25 25 A S > - 0 0 64 -2,-0.2 4,-1.5 1,-0.1 117,-0.1 -0.675 21.3-123.5 -97.0 154.1 -7.9 -39.6 32.3 26 26 A L T 4 S+ 0 0 40 -2,-0.3 6,-0.1 1,-0.2 -1,-0.1 0.854 116.3 56.2 -63.2 -29.6 -7.8 -35.9 31.5 27 27 A F T >4 S+ 0 0 163 1,-0.2 3,-1.0 2,-0.2 -1,-0.2 0.912 104.7 50.9 -68.8 -38.1 -11.6 -36.0 31.1 28 28 A S T 34 S+ 0 0 79 1,-0.3 -1,-0.2 2,-0.1 -2,-0.2 0.823 116.2 44.0 -66.5 -27.9 -11.8 -37.4 34.7 29 29 A b T >< + 0 0 0 -4,-1.5 3,-0.6 1,-0.2 -1,-0.3 -0.331 68.1 130.0-112.8 53.4 -9.6 -34.4 35.8 30 30 A L T < + 0 0 82 -3,-1.0 3,-0.4 1,-0.2 -1,-0.2 0.471 63.1 74.6 -83.0 3.2 -11.3 -31.6 33.8 31 31 A K T 3 S+ 0 0 176 1,-0.2 -1,-0.2 -3,-0.2 -2,-0.1 0.830 101.5 38.6 -81.9 -31.4 -11.3 -29.6 37.1 32 32 A D S < S+ 0 0 27 -3,-0.6 2,-0.4 -6,-0.1 -1,-0.2 0.115 82.1 145.8-103.0 21.9 -7.6 -28.9 36.9 33 33 A R + 0 0 122 -3,-0.4 2,-0.3 -7,-0.1 -3,-0.1 -0.434 16.2 148.2 -62.5 115.3 -7.6 -28.4 33.1 34 34 A H - 0 0 96 -2,-0.4 2,-0.7 105,-0.1 3,-0.1 -0.807 41.2-144.3-154.6 108.4 -5.0 -25.7 32.5 35 35 A D - 0 0 102 -2,-0.3 108,-0.1 1,-0.2 -2,-0.0 -0.613 8.6-162.6 -75.4 112.9 -2.8 -25.5 29.4 36 36 A F - 0 0 23 -2,-0.7 -1,-0.2 1,-0.0 89,-0.0 0.904 41.8-113.5 -63.4 -37.8 0.6 -24.2 30.6 37 37 A G - 0 0 41 -3,-0.1 88,-0.1 88,-0.0 -2,-0.0 0.813 22.2-136.6 103.8 74.6 1.5 -23.2 27.1 38 38 A F - 0 0 26 1,-0.1 2,-2.0 84,-0.1 3,-0.2 -0.400 20.9-124.0 -61.8 132.5 4.4 -25.3 25.6 39 39 A P > + 0 0 26 0, 0.0 3,-0.8 0, 0.0 -1,-0.1 -0.498 51.7 152.0 -80.9 76.4 6.8 -22.9 23.8 40 40 A Q G > + 0 0 78 -2,-2.0 3,-2.5 1,-0.2 -2,-0.1 0.571 54.0 88.9 -81.5 -4.7 6.7 -24.6 20.4 41 41 A E G > S+ 0 0 173 1,-0.3 3,-0.6 -3,-0.2 4,-0.3 0.880 94.2 42.2 -59.0 -32.3 7.5 -21.1 18.8 42 42 A E G < S+ 0 0 55 -3,-0.8 -1,-0.3 1,-0.2 -2,-0.1 0.115 113.6 55.7 -99.2 23.2 11.1 -22.1 19.3 43 43 A F G < S+ 0 0 1 -3,-2.5 -1,-0.2 5,-0.0 -2,-0.2 0.045 94.3 64.8-137.4 23.4 10.4 -25.7 18.1 44 44 A G S < S+ 0 0 37 -3,-0.6 2,-0.3 1,-0.3 -2,-0.1 0.554 103.8 27.4-122.9 -16.2 8.9 -25.0 14.6 45 45 A N S S+ 0 0 122 -4,-0.3 -1,-0.3 1,-0.1 112,-0.0 -0.985 118.2 13.1-151.2 138.6 11.7 -23.4 12.6 46 46 A Q S S+ 0 0 78 -2,-0.3 -1,-0.1 -3,-0.1 3,-0.1 0.842 101.6 93.2 68.0 33.6 15.5 -23.5 12.6 47 47 A F + 0 0 3 4,-0.1 3,-0.1 5,-0.1 110,-0.1 -0.138 56.1 82.5-148.1 44.3 15.4 -26.6 15.0 48 48 A Q S S+ 0 0 103 1,-0.1 -1,-0.0 2,-0.0 -2,-0.0 -0.003 77.8 65.4-138.4 31.2 15.6 -29.7 12.7 49 49 A K S S- 0 0 133 -3,-0.1 55,-0.2 55,-0.1 -1,-0.1 -0.308 126.1 -67.9-150.3 58.3 19.3 -30.0 11.9 50 50 A A S S+ 0 0 20 -3,-0.1 54,-0.1 1,-0.1 -2,-0.0 0.874 112.1 106.1 59.1 34.7 21.2 -30.9 15.2 51 51 A E S S+ 0 0 22 2,-0.1 4,-0.2 54,-0.1 -4,-0.1 0.683 77.7 39.9-114.3 -30.1 20.3 -27.4 16.4 52 52 A T S > S+ 0 0 3 1,-0.2 4,-3.0 2,-0.1 3,-0.3 0.382 86.7 98.5-100.0 5.1 17.6 -28.1 19.0 53 53 A I H > S+ 0 0 8 1,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.931 84.2 50.1 -57.2 -43.5 19.4 -31.2 20.3 54 54 A P H > S+ 0 0 18 0, 0.0 4,-1.9 0, 0.0 -1,-0.3 0.812 111.6 50.2 -65.1 -25.7 20.8 -29.1 23.2 55 55 A V H > S+ 0 0 0 -3,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.913 110.0 47.9 -77.2 -41.1 17.2 -27.9 23.8 56 56 A L H X S+ 0 0 6 -4,-3.0 4,-2.6 2,-0.2 5,-0.2 0.841 111.6 53.4 -66.3 -30.5 15.8 -31.5 23.8 57 57 A H H X S+ 0 0 35 -4,-2.1 4,-1.6 -5,-0.3 -2,-0.2 0.958 112.6 40.6 -69.4 -49.7 18.6 -32.4 26.2 58 58 A E H X S+ 0 0 84 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.850 115.6 53.7 -68.3 -30.0 17.8 -29.7 28.8 59 59 A M H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.970 111.3 43.0 -67.4 -50.8 14.1 -30.4 28.2 60 60 A I H X S+ 0 0 1 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.785 112.2 56.8 -66.6 -21.3 14.4 -34.1 29.0 61 61 A Q H X S+ 0 0 75 -4,-1.6 4,-1.9 2,-0.2 5,-0.2 0.918 107.8 46.2 -74.0 -40.1 16.7 -33.0 31.9 62 62 A Q H X S+ 0 0 58 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.890 116.0 45.6 -68.5 -35.8 13.9 -30.8 33.3 63 63 A I H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 5,-0.3 0.853 107.8 59.2 -73.5 -32.5 11.4 -33.8 32.8 64 64 A F H X S+ 0 0 36 -4,-1.9 4,-1.7 -5,-0.2 -2,-0.2 0.926 115.3 33.5 -62.2 -42.8 14.0 -36.1 34.3 65 65 A N H X S+ 0 0 86 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.900 114.4 57.9 -80.2 -40.2 14.0 -34.1 37.6 66 66 A L H < S+ 0 0 14 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.857 120.5 31.6 -56.9 -32.5 10.3 -33.1 37.4 67 67 A F H < S+ 0 0 0 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.744 114.7 59.2 -96.2 -27.1 9.6 -36.9 37.3 68 68 A S H < S+ 0 0 54 -4,-1.7 -2,-0.2 -5,-0.3 -3,-0.2 0.767 81.8 107.7 -72.6 -23.0 12.6 -38.0 39.5 69 69 A T S X S- 0 0 33 -4,-2.3 4,-3.1 1,-0.2 3,-0.3 -0.188 84.0-120.5 -53.1 146.7 11.3 -35.8 42.4 70 70 A K H > S+ 0 0 153 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.763 115.1 59.3 -62.3 -20.6 9.9 -37.9 45.2 71 71 A D H > S+ 0 0 57 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.909 113.8 34.0 -75.1 -40.0 6.6 -36.0 44.6 72 72 A S H > S+ 0 0 0 -3,-0.3 4,-1.6 2,-0.2 -2,-0.2 0.801 114.8 59.0 -83.3 -28.1 6.4 -37.2 41.0 73 73 A S H < S+ 0 0 41 -4,-3.1 -2,-0.2 1,-0.2 -3,-0.2 0.882 113.4 38.4 -67.6 -33.9 8.0 -40.6 41.9 74 74 A A H < S+ 0 0 85 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.725 110.9 61.1 -86.5 -21.4 5.1 -41.2 44.3 75 75 A A H < S+ 0 0 27 -4,-0.9 2,-0.3 -5,-0.1 -2,-0.2 0.810 113.5 34.1 -73.0 -29.2 2.6 -39.6 41.9 76 76 A W S < S- 0 0 9 -4,-1.6 2,-0.1 -9,-0.1 -54,-0.1 -0.798 106.5 -75.9-122.7 166.8 3.3 -42.3 39.3 77 77 A D > - 0 0 69 -2,-0.3 4,-3.1 -56,-0.2 5,-0.3 -0.407 36.1-138.8 -62.2 129.2 4.2 -46.0 39.4 78 78 A E H > S+ 0 0 122 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.794 105.3 49.0 -61.8 -24.4 7.9 -46.3 40.4 79 79 A T H > S+ 0 0 94 2,-0.2 4,-2.4 3,-0.2 5,-0.3 0.933 111.9 45.3 -80.7 -45.8 8.2 -49.0 37.8 80 80 A L H > S+ 0 0 37 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.906 119.0 44.6 -62.5 -35.5 6.6 -47.0 35.0 81 81 A L H X S+ 0 0 0 -4,-3.1 4,-2.3 2,-0.2 -1,-0.2 0.870 106.3 61.6 -74.3 -34.4 8.8 -44.1 36.1 82 82 A D H X S+ 0 0 94 -4,-1.5 4,-1.9 -5,-0.3 3,-0.4 0.965 110.1 39.0 -55.0 -52.9 11.8 -46.5 36.4 83 83 A K H X S+ 0 0 103 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.876 112.7 58.5 -65.4 -33.6 11.6 -47.2 32.7 84 84 A F H X S+ 0 0 0 -4,-1.6 4,-2.0 -5,-0.3 -1,-0.2 0.838 105.4 49.9 -65.5 -28.4 10.7 -43.6 32.1 85 85 A Y H X S+ 0 0 38 -4,-2.3 4,-2.5 -3,-0.4 -1,-0.2 0.902 110.7 48.2 -76.0 -39.1 14.1 -42.7 33.8 86 86 A T H X S+ 0 0 89 -4,-1.9 4,-1.4 2,-0.2 -2,-0.2 0.873 114.3 47.1 -68.3 -33.4 16.0 -45.1 31.6 87 87 A E H X S+ 0 0 15 -4,-2.4 4,-2.6 2,-0.2 5,-0.3 0.900 111.5 50.3 -74.2 -38.0 14.2 -43.6 28.5 88 88 A L H X S+ 0 0 0 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.916 114.5 44.4 -65.1 -39.6 14.9 -40.1 29.7 89 89 A Y H X S+ 0 0 149 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.785 110.9 56.0 -75.2 -24.8 18.6 -41.0 30.2 90 90 A Q H X S+ 0 0 87 -4,-1.4 4,-2.2 2,-0.2 5,-0.2 0.968 113.3 38.5 -71.2 -49.4 18.6 -42.8 26.8 91 91 A Q H X S+ 0 0 23 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.837 116.3 54.9 -68.1 -28.1 17.4 -39.7 24.9 92 92 A L H X S+ 0 0 10 -4,-1.6 4,-1.6 -5,-0.3 -1,-0.2 0.866 107.6 49.0 -72.2 -33.6 19.7 -37.7 27.2 93 93 A N H X S+ 0 0 91 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.928 115.9 42.1 -71.4 -43.1 22.7 -39.9 26.2 94 94 A D H X S+ 0 0 36 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.950 115.6 49.5 -67.7 -46.8 21.9 -39.6 22.5 95 95 A L H X S+ 0 0 14 -4,-2.6 4,-1.1 1,-0.2 -1,-0.2 0.849 114.0 47.4 -60.1 -33.1 21.1 -35.8 22.8 96 96 A E H X S+ 0 0 86 -4,-1.6 4,-2.8 -5,-0.2 -1,-0.2 0.887 99.1 67.2 -76.7 -38.6 24.4 -35.4 24.7 97 97 A A H X S+ 0 0 23 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.918 103.4 46.1 -48.2 -47.5 26.5 -37.4 22.2 98 98 A a H < S+ 0 0 6 -4,-1.4 7,-0.3 1,-0.2 -1,-0.2 0.933 113.4 49.4 -62.2 -43.0 25.9 -34.6 19.6 99 99 A V H < S+ 0 0 55 -4,-1.1 -2,-0.2 1,-0.2 -1,-0.2 0.833 103.0 63.4 -65.6 -30.8 26.8 -32.0 22.3 100 100 A I H < S+ 0 0 100 -4,-2.8 -1,-0.2 4,-0.0 -2,-0.2 0.980 103.3 49.9 -58.5 -56.3 30.0 -34.0 23.2 101 101 A Q S < S- 0 0 100 -4,-1.6 4,-0.4 -5,-0.1 -98,-0.0 -0.205 109.8 -93.5 -74.8 173.9 31.6 -33.5 19.8 102 102 A G S > S+ 0 0 63 2,-0.1 3,-0.6 -101,-0.0 -1,-0.1 0.812 103.3 96.0 -59.0 -26.2 31.8 -30.1 18.1 103 103 A V T 3 S+ 0 0 50 1,-0.2 2,-1.5 -6,-0.1 -53,-0.1 -0.058 72.0 40.6 -57.7 166.7 28.5 -31.0 16.4 104 104 A G T 3 S+ 0 0 6 -55,-0.2 2,-0.6 -54,-0.1 -1,-0.2 -0.412 110.8 61.1 89.4 -62.1 25.3 -29.7 18.0 105 105 A V S < S+ 0 0 61 -2,-1.5 2,-0.2 -3,-0.6 -54,-0.1 -0.871 70.7 149.9-102.7 116.5 26.7 -26.3 18.9 106 106 A T - 0 0 80 -2,-0.6 -3,-0.0 3,-0.1 -55,-0.0 -0.443 67.8 -51.9-125.7-159.3 27.8 -24.4 15.7 107 107 A E S S+ 0 0 184 -2,-0.2 -2,-0.0 2,-0.0 0, 0.0 0.801 94.9 123.7 -51.0 -27.7 28.2 -20.7 14.6 108 108 A T - 0 0 34 2,-0.1 -2,-0.1 1,-0.1 0, 0.0 -0.081 65.2-125.0 -39.0 125.5 24.5 -20.4 15.8 109 109 A P > - 0 0 79 0, 0.0 3,-1.9 0, 0.0 4,-0.2 -0.062 37.8 -79.5 -69.8 174.4 24.4 -17.6 18.4 110 110 A L T >> S+ 0 0 127 1,-0.3 3,-3.1 2,-0.2 4,-0.5 0.617 110.0 99.4 -53.2 -8.9 23.0 -18.0 21.9 111 111 A M H >> + 0 0 77 1,-0.3 3,-1.6 2,-0.2 4,-0.5 0.830 68.2 70.8 -49.0 -29.8 19.6 -17.6 20.2 112 112 A K H X> S+ 0 0 44 -3,-1.9 3,-1.1 1,-0.3 4,-0.9 0.824 86.4 65.6 -58.1 -27.9 19.5 -21.4 20.5 113 113 A E H <> S+ 0 0 97 -3,-3.1 4,-4.3 1,-0.2 5,-0.4 0.817 83.6 73.8 -64.9 -28.4 19.1 -20.9 24.3 114 114 A D H S+ 0 0 0 -4,-1.7 5,-3.1 -5,-0.2 4,-0.4 0.925 111.1 46.3 -69.3 -42.4 2.2 -28.7 41.2 131 131 A K H <5S+ 0 0 112 -4,-2.3 -2,-0.2 3,-0.2 -1,-0.2 0.806 113.2 52.0 -69.7 -26.1 2.8 -26.5 44.3 132 132 A E H <5S+ 0 0 114 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.954 117.0 35.5 -74.6 -49.4 -0.7 -25.0 43.8 133 133 A K T <5S- 0 0 60 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.442 111.0-123.3 -82.3 3.0 -2.5 -28.3 43.7 134 134 A K T 5S- 0 0 168 -4,-0.4 -3,-0.2 1,-0.2 -4,-0.1 0.943 73.2 -50.6 56.2 46.8 -0.0 -29.7 46.2 135 135 A Y S - 0 0 34 -6,-0.2 4,-2.7 1,-0.1 5,-0.2 -0.423 32.8-123.7 -72.5 150.4 -2.8 -33.4 43.3 137 137 A P H > S+ 0 0 92 0, 0.0 4,-1.4 0, 0.0 -113,-0.2 0.841 115.4 47.1 -64.4 -30.8 -3.5 -36.5 41.2 138 138 A b H > S+ 0 0 25 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.918 111.5 49.7 -76.1 -41.1 -5.6 -34.4 38.9 139 139 A A H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.908 110.8 50.9 -62.8 -38.5 -2.9 -31.7 38.6 140 140 A W H X S+ 0 0 4 -4,-2.7 4,-1.7 2,-0.2 -1,-0.2 0.867 108.2 52.6 -67.4 -33.1 -0.4 -34.5 37.9 141 141 A E H X S+ 0 0 6 -4,-1.4 4,-2.3 2,-0.2 5,-0.3 0.957 110.3 46.6 -67.2 -46.5 -2.8 -35.8 35.1 142 142 A V H X S+ 0 0 3 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.928 114.6 47.9 -60.3 -40.7 -3.0 -32.4 33.5 143 143 A V H X S+ 0 0 0 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.2 0.810 107.1 58.6 -69.8 -26.1 0.8 -32.1 33.8 144 144 A R H X S+ 0 0 1 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.969 110.9 39.3 -66.3 -50.6 1.0 -35.7 32.3 145 145 A A H X S+ 0 0 34 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.865 115.5 54.3 -66.7 -33.5 -0.8 -34.6 29.1 146 146 A E H X S+ 0 0 17 -4,-2.2 4,-2.4 -5,-0.3 -1,-0.2 0.892 110.3 45.7 -68.3 -36.8 1.1 -31.3 29.2 147 147 A I H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.885 112.7 51.2 -72.8 -37.0 4.5 -33.2 29.4 148 148 A M H X S+ 0 0 49 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.932 115.2 41.3 -65.0 -45.1 3.4 -35.6 26.6 149 149 A R H X S+ 0 0 164 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.927 116.5 48.5 -69.8 -43.8 2.4 -32.7 24.3 150 150 A S H X S+ 0 0 0 -4,-2.4 4,-2.0 -5,-0.2 -2,-0.2 0.912 115.4 45.0 -63.3 -40.4 5.4 -30.6 25.1 151 151 A F H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.909 114.3 47.8 -71.4 -39.1 7.8 -33.5 24.6 152 152 A S H X S+ 0 0 31 -4,-2.3 4,-0.9 -5,-0.2 -2,-0.2 0.851 111.8 52.0 -69.2 -30.1 6.0 -34.6 21.4 153 153 A L H < S+ 0 0 31 -4,-2.3 4,-0.3 2,-0.2 -2,-0.2 0.893 112.9 43.7 -71.9 -37.9 6.2 -30.9 20.2 154 154 A S H >< S+ 0 0 0 -4,-2.0 3,-0.5 1,-0.2 -2,-0.2 0.846 119.3 42.9 -75.0 -32.9 9.9 -30.8 21.0 155 155 A T H >X>S+ 0 0 5 -4,-2.3 3,-2.2 1,-0.2 5,-2.0 0.553 89.9 88.1 -89.8 -5.8 10.5 -34.2 19.3 156 156 A N T 3<5S+ 0 0 58 -4,-0.9 -1,-0.2 1,-0.3 -2,-0.1 0.771 81.9 62.5 -62.0 -21.0 8.2 -33.3 16.4 157 157 A L T <45S+ 0 0 12 -3,-0.5 -1,-0.3 -4,-0.3 -2,-0.1 0.603 114.4 31.5 -79.0 -10.4 11.3 -31.9 14.8 158 158 A Q T <45S- 0 0 77 -3,-2.2 -2,-0.2 -109,-0.0 -3,-0.1 0.703 135.0 -42.8-109.7 -85.9 12.9 -35.4 14.8 159 159 A E T <5S+ 0 0 96 -4,-0.7 2,-3.0 -151,-0.1 -3,-0.2 0.287 87.5 123.3-134.1 6.1 10.7 -38.5 14.4 160 160 A S < + 0 0 9 -5,-2.0 2,-0.4 -8,-0.1 -151,-0.0 -0.360 43.3 123.6 -71.9 70.1 7.7 -37.7 16.7 161 161 A L - 0 0 84 -2,-3.0 -149,-0.0 1,-0.1 -5,-0.0 -0.961 47.9-166.5-136.0 119.4 5.3 -38.2 13.8 162 162 A R + 0 0 215 -2,-0.4 2,-1.7 1,-0.1 -1,-0.1 0.573 63.7 108.3 -79.0 -6.3 2.3 -40.6 13.9 163 163 A S + 0 0 91 1,-0.1 -1,-0.1 2,-0.1 -2,-0.0 -0.507 43.9 108.0 -73.1 88.7 1.9 -40.1 10.1 164 164 A K 0 0 172 -2,-1.7 -1,-0.1 0, 0.0 -3,-0.0 -0.332 360.0 360.0-163.0 70.4 3.3 -43.5 9.0 165 165 A E 0 0 265 0, 0.0 -2,-0.1 0, 0.0 -3,-0.0 0.527 360.0 360.0-140.8 360.0 0.6 -45.9 7.6