==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL PROTEIN/DNA 25-MAY-11 3AZE . COMPND 2 MOLECULE: HISTONE H3.1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR W.IWASAKI,H.TACHIWANA,K.KAWAGUCHI,T.SHIBATA,W.KAGAWA,H.KURUM . 756 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36101.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 562 74.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 4.0 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 . 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 . 27 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 79 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 404 53.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 2.2 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 2 2 0 0 3 3 8 2 2 0 0 0 0 0 2 0 0 0 0 0 1 4 1 2 0 0 RESIDUES PER ALPHA HELIX . 0 10 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 . 10 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 38 A P 0 0 197 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-154.1 -62.4 -27.8 74.0 2 39 A H + 0 0 143 2,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.941 360.0 167.3-116.6 138.3 -59.6 -29.4 71.8 3 40 A R - 0 0 226 -2,-0.4 2,-0.3 3,-0.0 0, 0.0 -0.980 31.6-125.6-150.0 132.5 -56.2 -27.7 71.2 4 41 A Y - 0 0 124 -2,-0.3 3,-0.1 1,-0.1 5,-0.1 -0.641 33.5-110.2 -82.6 136.9 -53.1 -29.2 69.7 5 42 A R > - 0 0 197 -2,-0.3 3,-1.8 1,-0.1 4,-0.5 -0.339 49.4 -85.9 -61.6 145.1 -49.9 -28.9 71.8 6 43 A P T 3 S+ 0 0 129 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 -0.208 113.5 25.7 -56.0 139.9 -47.4 -26.5 70.3 7 44 A G T 3> S+ 0 0 19 111,-0.1 4,-1.6 -3,-0.1 5,-0.1 0.093 98.3 90.3 95.5 -22.9 -45.1 -28.0 67.7 8 45 A T H <> S+ 0 0 51 -3,-1.8 4,-1.2 2,-0.2 -3,-0.1 0.857 92.6 39.6 -75.3 -33.6 -47.5 -30.7 66.7 9 46 A V H > S+ 0 0 54 -4,-0.5 4,-3.2 2,-0.2 5,-0.2 0.857 108.4 62.1 -81.2 -37.4 -49.2 -28.7 64.0 10 47 A A H > S+ 0 0 8 1,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.939 106.1 47.5 -50.8 -47.0 -45.9 -27.2 62.9 11 48 A L H X S+ 0 0 4 -4,-1.6 4,-2.7 1,-0.2 5,-0.3 0.927 108.3 54.9 -58.3 -45.8 -44.9 -30.7 62.1 12 49 A R H X S+ 0 0 101 -4,-1.2 4,-2.0 1,-0.2 -2,-0.2 0.919 109.9 47.2 -52.6 -47.0 -48.2 -31.1 60.3 13 50 A E H X S+ 0 0 36 -4,-3.2 4,-2.9 2,-0.2 5,-0.3 0.872 112.3 48.9 -65.6 -40.4 -47.3 -28.1 58.2 14 51 A I H X S+ 0 0 0 -4,-2.5 4,-2.4 -5,-0.2 5,-0.4 0.999 112.2 46.4 -62.6 -66.6 -43.8 -29.3 57.5 15 52 A R H X S+ 0 0 133 -4,-2.7 4,-1.0 1,-0.2 -2,-0.2 0.833 118.6 46.8 -42.3 -37.8 -45.0 -32.8 56.4 16 53 A R H X S+ 0 0 131 -4,-2.0 4,-1.3 -5,-0.3 3,-0.5 0.978 113.3 41.3 -70.4 -61.4 -47.6 -31.1 54.3 17 54 A Y H < S+ 0 0 17 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.726 112.3 56.0 -63.1 -24.5 -45.8 -28.3 52.5 18 55 A Q H < S+ 0 0 8 -4,-2.4 641,-0.6 -5,-0.3 -1,-0.2 0.857 105.8 52.9 -73.8 -34.9 -42.8 -30.6 51.8 19 56 A K H < S+ 0 0 157 -4,-1.0 -2,-0.2 -3,-0.5 -1,-0.2 0.805 105.1 63.9 -68.4 -33.7 -45.2 -33.0 50.1 20 57 A S < - 0 0 30 -4,-1.3 639,-0.4 1,-0.1 637,-0.0 -0.480 62.5-160.9 -89.6 165.5 -46.6 -30.3 47.8 21 58 A T + 0 0 33 -2,-0.1 637,-0.3 637,-0.1 -1,-0.1 0.263 49.0 119.1-128.6 7.6 -44.7 -28.4 45.1 22 59 A E S S- 0 0 79 1,-0.1 -2,-0.1 635,-0.1 635,-0.0 -0.355 73.2 -90.8 -74.5 157.8 -46.9 -25.4 44.6 23 60 A L - 0 0 32 1,-0.1 -1,-0.1 2,-0.0 4,-0.1 -0.247 28.9-158.8 -65.3 158.5 -45.5 -21.9 45.2 24 61 A L + 0 0 5 -3,-0.1 2,-0.3 2,-0.1 86,-0.1 0.667 65.6 81.4-113.2 -25.2 -46.0 -20.4 48.7 25 62 A I S S- 0 0 4 1,-0.1 2,-0.3 82,-0.1 78,-0.1 -0.674 92.6-105.2 -83.7 136.7 -45.6 -16.6 48.1 26 63 A R > - 0 0 66 -2,-0.3 4,-1.6 76,-0.2 5,-0.1 -0.471 30.4-139.0 -62.1 123.4 -48.8 -14.9 46.9 27 64 A Q H > S+ 0 0 106 -2,-0.3 4,-2.6 1,-0.2 3,-0.3 0.917 92.5 56.3 -50.6 -58.8 -48.1 -14.2 43.2 28 65 A L H > S+ 0 0 110 1,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.904 111.3 42.9 -44.6 -55.7 -49.6 -10.7 42.8 29 66 A P H > S+ 0 0 17 0, 0.0 4,-2.4 0, 0.0 -1,-0.3 0.856 112.8 54.9 -62.4 -33.3 -47.5 -9.2 45.6 30 67 A F H X S+ 0 0 0 -4,-1.6 4,-2.5 -3,-0.3 3,-0.4 0.998 105.7 51.3 -58.0 -65.2 -44.4 -11.0 44.4 31 68 A Q H X S+ 0 0 54 -4,-2.6 4,-3.1 1,-0.3 -1,-0.2 0.786 110.2 50.7 -40.2 -38.8 -44.8 -9.6 40.9 32 69 A R H X S+ 0 0 117 -4,-1.6 4,-3.5 -5,-0.3 5,-0.3 0.941 107.1 51.7 -69.7 -48.3 -45.1 -6.1 42.5 33 70 A L H X S+ 0 0 0 -4,-2.4 4,-2.3 -3,-0.4 -2,-0.2 0.917 115.8 44.0 -52.8 -44.0 -41.9 -6.5 44.5 34 71 A V H X S+ 0 0 0 -4,-2.5 4,-3.2 2,-0.2 5,-0.3 0.982 114.4 46.2 -64.4 -60.7 -40.2 -7.5 41.2 35 72 A R H X S+ 0 0 95 -4,-3.1 4,-1.6 1,-0.2 -2,-0.2 0.909 115.1 49.1 -47.4 -49.8 -41.7 -4.8 39.0 36 73 A E H X S+ 0 0 78 -4,-3.5 4,-0.5 1,-0.2 -1,-0.2 0.919 113.1 46.1 -56.6 -49.6 -40.9 -2.2 41.7 37 74 A I H >< S+ 0 0 5 -4,-2.3 3,-1.7 -5,-0.3 -2,-0.2 0.915 107.7 56.4 -59.4 -49.0 -37.3 -3.5 42.0 38 75 A A H >X S+ 0 0 1 -4,-3.2 3,-2.5 1,-0.3 4,-1.9 0.822 94.2 71.1 -52.8 -35.6 -36.8 -3.6 38.3 39 76 A Q H 3< S+ 0 0 107 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.806 87.4 62.2 -53.3 -34.9 -37.8 0.1 38.3 40 77 A D T << S+ 0 0 121 -3,-1.7 -1,-0.3 -4,-0.5 -2,-0.2 0.454 112.3 38.8 -73.5 2.2 -34.4 1.0 39.9 41 78 A F T <4 S- 0 0 61 -3,-2.5 2,-0.3 1,-0.3 -2,-0.2 0.676 131.6 -3.3-119.1 -37.2 -32.8 -0.5 36.8 42 79 A K < - 0 0 63 -4,-1.9 -1,-0.3 111,-0.0 3,-0.3 -0.913 67.1-127.8-161.8 132.9 -34.9 0.7 33.9 43 80 A T S S+ 0 0 109 -2,-0.3 -3,-0.0 1,-0.2 -4,-0.0 -0.262 85.1 19.9 -77.7 168.6 -38.2 2.6 33.6 44 81 A D S S+ 0 0 104 1,-0.2 2,-0.3 -2,-0.0 -1,-0.2 0.896 85.3 175.5 33.8 66.9 -41.3 1.5 31.7 45 82 A L - 0 0 23 -3,-0.3 2,-0.5 -10,-0.1 109,-0.2 -0.734 25.6-143.7-100.7 150.9 -40.3 -2.1 31.7 46 83 A R E -a 154 0A 159 107,-2.0 109,-2.4 -2,-0.3 2,-0.7 -0.963 9.8-153.0-116.6 122.4 -42.3 -5.0 30.3 47 84 A F E -a 155 0A 15 -2,-0.5 2,-0.2 107,-0.2 109,-0.2 -0.842 18.7-128.0-101.1 111.6 -42.1 -8.3 32.1 48 85 A Q >> - 0 0 86 107,-2.6 3,-2.2 -2,-0.7 4,-0.9 -0.374 30.2-120.1 -54.2 115.1 -42.8 -11.4 30.0 49 86 A S H >> S+ 0 0 95 1,-0.3 3,-2.6 -2,-0.2 4,-1.0 0.760 110.7 44.9 -18.7 -76.4 -45.5 -13.2 32.0 50 87 A S H 3> S+ 0 0 39 1,-0.3 4,-3.6 2,-0.2 -1,-0.3 0.776 99.5 70.0 -47.6 -36.4 -43.5 -16.4 32.5 51 88 A A H <> S+ 0 0 0 -3,-2.2 4,-2.6 1,-0.3 -1,-0.3 0.826 100.7 49.9 -54.6 -29.4 -40.4 -14.4 33.4 52 89 A V H X S+ 0 0 1 -4,-2.8 4,-2.7 2,-0.2 3,-1.1 0.987 114.3 47.1 -59.6 -71.1 -36.7 -17.1 44.8 60 97 A E H 3X S+ 0 0 7 -4,-2.0 4,-2.8 1,-0.3 5,-0.3 0.877 114.9 50.5 -38.6 -49.3 -38.9 -19.5 46.8 61 98 A A H 3X S+ 0 0 39 -4,-1.5 4,-1.5 -5,-0.5 -1,-0.3 0.865 110.8 48.5 -60.0 -39.1 -36.5 -22.3 45.8 62 99 A Y H S+ 0 0 0 -4,-2.0 5,-2.4 2,-0.2 -2,-0.2 0.904 114.0 46.8 -71.7 -44.1 -29.9 -23.6 64.6 75 112 A I H ><5S+ 0 0 33 -4,-3.2 3,-2.0 1,-0.2 -2,-0.2 0.964 107.1 57.6 -61.7 -49.1 -29.8 -27.3 65.4 76 113 A H H 3<5S+ 0 0 30 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.844 101.4 56.1 -50.0 -39.2 -26.0 -27.2 65.7 77 114 A A T 3<5S- 0 0 4 -4,-1.3 -1,-0.3 -5,-0.1 -2,-0.2 0.041 126.4-102.1 -84.2 27.8 -26.2 -24.5 68.4 78 115 A K T < 5S+ 0 0 184 -3,-2.0 -3,-0.2 1,-0.2 -2,-0.2 0.661 86.3 115.0 63.6 20.4 -28.5 -26.9 70.4 79 116 A R < - 0 0 58 -5,-2.4 -1,-0.2 -6,-0.1 3,-0.1 -0.109 56.1-156.2-105.5-159.2 -31.7 -25.1 69.4 80 117 A V S S+ 0 0 50 1,-0.2 39,-1.5 -3,-0.1 2,-0.5 0.220 72.4 83.0-160.9 4.0 -34.9 -25.6 67.5 81 118 A T E S-b 119 0B 25 -7,-0.2 2,-0.5 37,-0.1 39,-0.3 -0.978 77.7-126.8-118.5 128.0 -35.9 -22.0 66.6 82 119 A I E -b 120 0B 0 37,-1.8 39,-1.7 -2,-0.5 42,-0.2 -0.624 28.8-166.9 -79.8 125.2 -34.3 -20.3 63.6 83 120 A M >> - 0 0 60 -2,-0.5 3,-2.6 -13,-0.2 4,-1.5 -0.824 38.2-110.4-110.8 150.3 -32.7 -17.0 64.5 84 121 A P H 3> S+ 0 0 21 0, 0.0 4,-1.3 0, 0.0 5,-0.1 0.794 120.6 66.2 -45.9 -25.4 -31.5 -14.2 62.2 85 122 A K H 3> S+ 0 0 85 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.833 97.9 47.3 -65.8 -38.9 -28.2 -15.5 63.5 86 123 A D H <> S+ 0 0 0 -3,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.854 108.8 55.9 -73.0 -35.2 -28.5 -18.9 61.9 87 124 A I H X S+ 0 0 2 -4,-1.5 4,-1.6 1,-0.2 -2,-0.2 0.824 110.8 45.5 -64.9 -31.4 -29.5 -17.2 58.6 88 125 A Q H X S+ 0 0 78 -4,-1.3 4,-3.9 -5,-0.3 5,-0.2 0.914 111.0 50.1 -79.5 -43.0 -26.3 -15.2 58.8 89 126 A L H X S+ 0 0 13 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.917 112.8 49.6 -58.5 -44.0 -24.0 -18.1 59.7 90 127 A A H X S+ 0 0 0 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.934 116.6 39.7 -60.5 -49.0 -25.5 -20.1 56.8 91 128 A R H X>S+ 0 0 42 -4,-1.6 4,-1.4 1,-0.2 5,-1.0 0.917 110.9 57.6 -68.7 -44.1 -25.0 -17.3 54.3 92 129 A R H <5S+ 0 0 117 -4,-3.9 -1,-0.2 1,-0.2 -2,-0.2 0.834 112.9 42.4 -56.7 -30.4 -21.7 -16.3 55.6 93 130 A I H <5S+ 0 0 8 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.799 104.4 61.3 -87.1 -28.3 -20.6 -19.9 54.9 94 131 A R H <5S- 0 0 62 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.762 114.7-114.7 -67.8 -21.2 -22.2 -20.2 51.6 95 132 A G T <5S+ 0 0 60 -4,-1.4 -3,-0.2 -5,-0.1 -4,-0.1 0.319 87.1 118.2 102.9 -5.4 -20.0 -17.4 50.5 96 133 A E < 0 0 69 -5,-1.0 -4,-0.2 -6,-0.2 -5,-0.1 0.762 360.0 360.0 -64.4 -27.0 -22.9 -15.1 49.9 97 134 A R 0 0 124 -6,-1.0 -2,-0.1 -9,-0.1 -9,-0.0 -0.716 360.0 360.0-141.0 360.0 -21.7 -12.7 52.6 98 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 99 25 B N > 0 0 82 0, 0.0 3,-2.1 0, 0.0 -66,-0.2 0.000 360.0 360.0 360.0 -27.8 -43.7 -2.9 49.3 100 26 B I G > + 0 0 20 1,-0.3 3,-3.0 2,-0.2 -67,-0.1 0.812 360.0 77.5 -58.7 -30.7 -41.5 -5.9 50.2 101 27 B Q G 3 + 0 0 110 1,-0.3 -1,-0.3 -68,-0.0 4,-0.1 0.667 67.0 93.1 -54.5 -13.1 -44.0 -6.4 53.1 102 28 B G G < + 0 0 17 -3,-2.1 2,-1.4 1,-0.2 -1,-0.3 0.766 67.7 80.2 -51.5 -23.0 -45.9 -7.8 50.2 103 29 B I S < S- 0 0 1 -3,-3.0 -1,-0.2 -74,-0.1 5,-0.1 -0.709 89.2-143.3 -89.6 88.6 -44.3 -11.0 51.4 104 30 B T > - 0 0 52 -2,-1.4 4,-1.6 1,-0.1 5,-0.3 -0.144 17.8-115.4 -56.5 142.2 -46.7 -11.8 54.3 105 31 B K H > S+ 0 0 118 1,-0.2 4,-0.9 2,-0.2 5,-0.1 0.864 116.2 58.7 -45.0 -42.6 -45.4 -13.2 57.5 106 32 B P H >> S+ 0 0 61 0, 0.0 3,-3.1 0, 0.0 4,-1.9 0.983 103.4 50.2 -52.9 -63.1 -47.5 -16.3 56.8 107 33 B A H 3> S+ 0 0 0 1,-0.3 4,-2.7 2,-0.3 5,-0.2 0.874 104.4 56.2 -37.1 -62.7 -45.7 -17.0 53.4 108 34 B I H 3X S+ 0 0 3 -4,-1.6 4,-1.7 1,-0.3 -1,-0.3 0.747 112.0 47.3 -46.4 -23.5 -42.2 -16.7 55.0 109 35 B R H X S+ 0 0 0 -4,-2.7 4,-1.9 2,-0.2 3,-1.0 0.976 108.9 50.3 -63.8 -61.0 -41.5 -21.6 53.1 112 38 B A H 3<>S+ 0 0 0 -4,-1.7 5,-2.6 1,-0.3 -1,-0.2 0.859 109.5 55.5 -45.5 -40.2 -39.5 -22.2 56.2 113 39 B R H ><5S+ 0 0 21 -4,-2.7 3,-1.6 3,-0.2 -1,-0.3 0.870 103.8 50.8 -64.7 -38.5 -41.8 -25.2 56.8 114 40 B R H <<5S+ 0 0 12 -4,-1.3 -1,-0.2 -3,-1.0 -2,-0.2 0.811 108.6 54.7 -68.4 -27.5 -41.0 -26.7 53.4 115 41 B G T 3<5S- 0 0 6 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.323 128.3-105.0 -85.5 7.2 -37.4 -26.3 54.4 116 42 B G T < 5 + 0 0 5 -3,-1.6 2,-0.3 1,-0.2 548,-0.3 0.734 64.8 156.2 79.2 24.7 -38.3 -28.3 57.6 117 43 B V < + 0 0 0 -5,-2.6 -1,-0.2 -6,-0.2 3,-0.1 -0.646 15.7 175.7 -85.5 140.3 -38.4 -25.5 60.1 118 44 B K + 0 0 44 -38,-0.4 2,-0.5 1,-0.4 -1,-0.2 0.823 66.4 30.5-106.4 -63.2 -40.4 -26.1 63.3 119 45 B R E S-b 81 0B 150 -39,-1.5 -37,-1.8 -109,-0.0 2,-0.4 -0.881 71.8-163.6-104.8 129.1 -40.0 -23.1 65.7 120 46 B I E -b 82 0B 23 -2,-0.5 -37,-0.1 -39,-0.3 -39,-0.1 -0.932 14.5-132.5-116.9 134.3 -39.4 -19.7 64.2 121 47 B S - 0 0 18 -39,-1.7 4,-0.5 -2,-0.4 -39,-0.1 -0.334 21.1-126.1 -71.7 163.5 -38.1 -16.5 65.9 122 48 B G S S+ 0 0 55 1,-0.2 4,-0.5 2,-0.2 3,-0.3 0.753 106.2 57.8 -85.3 -26.7 -40.0 -13.3 65.2 123 49 B L S > S+ 0 0 119 1,-0.2 4,-2.2 2,-0.2 3,-0.4 0.710 91.9 76.9 -74.9 -18.3 -37.1 -11.2 64.0 124 50 B I H > S+ 0 0 0 -42,-0.2 4,-3.0 1,-0.2 5,-0.3 0.942 82.2 61.9 -55.3 -52.7 -36.6 -13.8 61.4 125 51 B Y H > S+ 0 0 26 -4,-0.5 4,-0.9 -3,-0.3 -1,-0.2 0.845 109.3 42.9 -43.7 -43.3 -39.4 -12.6 59.2 126 52 B E H >> S+ 0 0 107 -4,-0.5 4,-1.7 -3,-0.4 3,-1.6 0.977 112.4 51.5 -67.4 -54.9 -37.6 -9.3 58.8 127 53 B E H 3X S+ 0 0 57 -4,-2.2 4,-1.8 1,-0.3 -2,-0.2 0.824 108.9 54.2 -49.3 -36.1 -34.3 -10.9 58.3 128 54 B T H 3X S+ 0 0 4 -4,-3.0 4,-1.5 1,-0.2 -1,-0.3 0.714 104.4 51.5 -74.3 -24.8 -35.9 -13.1 55.6 129 55 B R H X S+ 0 0 16 -4,-1.2 4,-1.1 -5,-0.3 3,-0.6 0.926 114.5 57.4 -75.8 -43.0 -28.3 -8.9 35.8 143 69 B A H >X S+ 0 0 0 -4,-1.7 4,-1.1 1,-0.3 3,-0.8 0.895 104.6 48.6 -52.8 -51.9 -31.5 -9.9 34.1 144 70 B V H 3X S+ 0 0 2 -4,-3.1 4,-3.6 1,-0.2 -1,-0.3 0.769 102.8 64.3 -63.4 -26.0 -32.4 -6.4 32.8 145 71 B T H S+ 0 0 1 -4,-1.1 5,-1.2 2,-0.2 -2,-0.2 0.983 114.1 42.5 -69.3 -60.0 -32.9 -7.1 28.2 148 74 B E H ><5S+ 0 0 93 -4,-3.6 3,-1.0 1,-0.2 -2,-0.2 0.748 112.5 52.0 -59.3 -30.6 -31.1 -3.8 27.6 149 75 B H H 3<5S+ 0 0 2 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.905 106.5 54.8 -73.0 -37.0 -28.2 -5.4 25.7 150 76 B A T 3<5S- 0 0 17 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.282 115.9-125.3 -74.8 13.4 -30.9 -7.1 23.5 151 77 B K T < 5 + 0 0 162 -3,-1.0 2,-0.3 1,-0.2 -3,-0.2 0.890 64.5 134.4 39.4 57.4 -32.1 -3.5 23.0 152 78 B R < - 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0 0 42 -5,-3.5 -4,-0.2 -6,-0.2 484,-0.2 -0.172 52.4-169.2-119.8 35.0 -28.9 -20.7 40.3 170 96 B T - 0 0 23 -5,-0.4 483,-2.1 -6,-0.2 2,-0.4 0.170 4.9-155.1 -27.5 140.1 -29.4 -22.6 37.1 171 97 B L E > -c 653 0C 7 -10,-0.3 3,-0.6 481,-0.2 2,-0.3 -0.918 8.4-157.7-136.1 109.8 -33.0 -23.2 36.4 172 98 B Y E 3 S+c 654 0C 6 481,-1.5 483,-1.7 -2,-0.4 528,-0.2 -0.668 72.1 52.4 -84.8 135.4 -34.5 -26.0 34.3 173 99 B G T 3 S+ 0 0 26 526,-0.4 -1,-0.2 -2,-0.3 527,-0.2 0.463 94.4 63.1 123.2 2.9 -38.0 -25.4 32.9 174 100 B F < 0 0 44 -3,-0.6 -13,-0.2 525,-0.2 -2,-0.1 0.222 360.0 360.0-141.4 16.1 -37.9 -22.0 31.1 175 101 B G 0 0 57 524,-0.2 525,-0.1 -14,-0.1 -3,-0.1 0.449 360.0 360.0 157.8 360.0 -35.5 -22.2 28.2 176 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 177 11 C R 0 0 278 0, 0.0 2,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 134.5 3.5 4.1 3.5 178 12 C A - 0 0 89 1,-0.1 2,-0.4 3,-0.0 3,-0.1 -0.404 360.0 -99.0 -66.3 138.6 3.0 6.0 6.8 179 13 C K - 0 0 193 1,-0.1 -1,-0.1 -2,-0.1 0, 0.0 -0.456 49.1-109.8 -64.9 117.5 5.3 4.8 9.7 180 14 C A - 0 0 79 -2,-0.4 2,-0.3 -3,-0.1 -1,-0.1 0.025 30.0-168.3 -49.1 149.1 3.2 2.4 11.8 181 15 C K - 0 0 113 -3,-0.1 5,-0.2 3,-0.0 -1,-0.1 -0.880 34.8-107.1-145.3 104.7 2.1 3.2 15.3 182 16 C T > - 0 0 95 -2,-0.3 4,-1.6 1,-0.1 3,-0.2 0.091 24.4-120.9 -32.0 133.4 0.7 0.3 17.4 183 17 C R H > S+ 0 0 69 1,-0.2 4,-2.0 2,-0.2 3,-0.3 0.876 114.7 60.0 -48.4 -39.0 -3.1 0.5 17.8 184 18 C S H >>>S+ 0 0 15 1,-0.2 5,-1.7 2,-0.2 4,-0.8 0.968 101.1 50.4 -53.5 -59.0 -2.3 0.6 21.5 185 19 C S H 345S+ 0 0 64 1,-0.3 3,-0.3 3,-0.2 -1,-0.2 0.805 108.3 55.6 -50.3 -31.9 -0.3 3.8 21.3 186 20 C R H 3<5S+ 0 0 79 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.907 111.2 42.0 -67.8 -42.3 -3.3 5.3 19.3 187 21 C A H <<5S- 0 0 5 -4,-2.0 -1,-0.2 -3,-0.7 -2,-0.2 0.408 113.9-121.1 -83.7 0.6 -5.6 4.5 22.2 188 22 C G T <5 + 0 0 52 -4,-0.8 2,-0.3 -3,-0.3 -3,-0.2 0.937 64.2 145.0 58.2 45.6 -3.0 5.7 24.6 189 23 C L < - 0 0 9 -5,-1.7 -1,-0.2 2,-0.1 4,-0.1 -0.808 51.9-152.8-113.3 155.8 -3.0 2.3 26.3 190 24 C Q S S+ 0 0 61 -2,-0.3 108,-0.1 28,-0.1 -1,-0.1 0.612 78.1 86.8 -96.9 -18.7 -0.1 0.4 27.9 191 25 C F S S- 0 0 1 -7,-0.1 2,-1.2 27,-0.1 -2,-0.1 -0.638 94.7-102.3 -85.0 140.1 -1.8 -2.9 27.2 192 26 C P > - 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0 0 114 -5,-3.0 -1,-0.2 -6,-0.1 -132,-0.1 -0.927 41.1-161.5-112.2 135.4 -5.8 -28.6 18.9 726 87 H S S S+ 0 0 76 -2,-0.5 -132,-1.7 -3,-0.1 -133,-0.4 0.312 72.7 62.6 -94.7 5.8 -8.0 -26.9 16.4 727 88 H T E -i 594 0I 31 -134,-0.2 2,-0.6 -7,-0.1 -132,-0.2 -0.975 68.4-144.0-139.0 125.2 -10.6 -29.7 16.2 728 89 H I E +i 595 0I 1 -134,-2.0 -132,-2.9 -2,-0.4 -129,-0.2 -0.758 35.7 171.3 -83.4 122.6 -12.9 -31.0 18.9 729 90 H T > - 0 0 27 -2,-0.6 4,-1.2 -134,-0.2 -1,-0.1 -0.073 50.3 -84.1-110.5-150.5 -13.3 -34.8 18.2 730 91 H S H > S+ 0 0 34 2,-0.2 4,-2.3 3,-0.1 5,-0.1 0.795 123.6 62.3 -88.8 -37.4 -14.8 -37.8 20.0 731 92 H R H > S+ 0 0 89 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.877 107.1 44.6 -56.3 -39.7 -11.7 -38.2 22.1 732 93 H E H > S+ 0 0 1 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.981 110.1 52.9 -68.8 -55.4 -12.3 -34.7 23.6 733 94 H I H X S+ 0 0 0 -4,-1.2 4,-1.8 1,-0.2 -2,-0.2 0.806 111.5 51.1 -48.5 -30.6 -16.0 -35.4 24.1 734 95 H Q H X S+ 0 0 52 -4,-2.3 4,-3.0 2,-0.2 5,-0.2 0.982 110.0 43.6 -73.0 -58.6 -15.0 -38.5 26.0 735 96 H T H < S+ 0 0 13 -4,-2.2 4,-0.2 1,-0.2 -2,-0.2 0.940 112.8 55.9 -49.3 -50.5 -12.5 -36.9 28.3 736 97 H A H >X S+ 0 0 0 -4,-3.1 4,-2.0 1,-0.2 3,-2.0 0.927 108.9 45.9 -46.6 -54.2 -15.0 -34.1 28.9 737 98 H V H 3X S+ 0 0 0 -4,-1.8 4,-2.8 1,-0.3 3,-0.3 0.949 107.8 57.0 -53.7 -50.3 -17.6 -36.7 29.9 738 99 H R H 3< S+ 0 0 101 -4,-3.0 -1,-0.3 1,-0.2 -2,-0.2 0.457 112.6 44.5 -62.9 1.4 -15.0 -38.4 32.1 739 100 H L H <4 S+ 0 0 12 -3,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.693 117.8 37.5-114.5 -34.0 -14.7 -35.0 33.8 740 101 H L H < S+ 0 0 41 -4,-2.0 -2,-0.2 -3,-0.3 -3,-0.2 0.795 102.8 74.9 -90.7 -32.6 -18.4 -33.9 34.2 741 102 H L S < S- 0 0 13 -4,-2.8 -96,-0.1 -5,-0.2 5,-0.1 -0.691 80.0-114.3 -96.7 139.3 -20.0 -37.2 35.1 742 103 H P >> - 0 0 24 0, 0.0 4,-2.8 0, 0.0 3,-1.0 -0.296 48.2 -82.8 -62.2 140.2 -19.9 -39.1 38.4 743 104 H G H 3> S+ 0 0 45 1,-0.3 4,-1.9 2,-0.2 3,-0.1 0.547 123.9 23.9 -3.4 -92.3 -18.2 -42.5 38.6 744 105 H E H 3> S+ 0 0 106 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.835 122.6 55.7 -58.0 -39.1 -20.9 -44.9 37.4 745 106 H L H <> S+ 0 0 2 -3,-1.0 4,-2.0 1,-0.2 -1,-0.2 0.938 109.0 49.4 -59.7 -44.6 -22.8 -42.3 35.5 746 107 H A H X S+ 0 0 5 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.872 105.9 56.8 -60.7 -44.0 -19.5 -41.6 33.6 747 108 H K H X S+ 0 0 112 -4,-1.9 4,-2.4 -5,-0.3 -1,-0.2 0.949 110.1 41.5 -54.4 -57.4 -18.9 -45.2 32.8 748 109 H H H X S+ 0 0 77 -4,-1.8 4,-2.6 2,-0.2 5,-0.3 0.883 110.8 56.7 -62.2 -41.3 -22.1 -45.9 31.0 749 110 H A H X S+ 0 0 0 -4,-2.0 4,-3.4 -5,-0.2 5,-0.2 0.988 110.5 45.1 -51.8 -62.7 -22.0 -42.6 29.2 750 111 H V H X S+ 0 0 13 -4,-2.3 4,-3.9 2,-0.2 5,-0.3 0.848 114.9 47.3 -48.3 -46.8 -18.6 -43.6 27.7 751 112 H S H X S+ 0 0 72 -4,-2.4 4,-3.6 2,-0.2 -2,-0.2 0.994 114.8 45.8 -56.6 -69.9 -19.8 -47.1 26.9 752 113 H E H X S+ 0 0 56 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.796 117.4 46.0 -37.6 -44.4 -22.9 -45.8 25.3 753 114 H G H X S+ 0 0 0 -4,-3.4 4,-2.3 -5,-0.3 -1,-0.2 0.969 116.4 42.2 -68.8 -54.3 -20.9 -43.2 23.5 754 115 H T H X S+ 0 0 55 -4,-3.9 4,-2.9 -5,-0.2 5,-0.3 0.981 116.4 50.4 -56.0 -57.3 -18.1 -45.5 22.3 755 116 H K H >X S+ 0 0 121 -4,-3.6 4,-1.6 -5,-0.3 3,-0.5 0.917 112.1 45.0 -40.4 -81.6 -20.7 -48.2 21.4 756 117 H A H 3X S+ 0 0 2 -4,-1.8 4,-1.1 1,-0.2 -1,-0.2 0.733 116.0 48.9 -33.8 -41.3 -22.9 -45.8 19.3 757 118 H V H >X S+ 0 0 18 -4,-2.3 4,-1.6 -3,-0.3 3,-1.0 0.965 103.9 55.2 -71.0 -52.3 -19.8 -44.4 17.6 758 119 H T H