==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CELL CYCLE 20-DEC-11 3V7D . COMPND 2 MOLECULE: SUPPRESSOR OF KINETOCHORE PROTEIN 1; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR X.TANG,S.ORLICKY,T.MITTAG,V.CSIZMOK,T.PAWSON,J.FORMAN-KAY,F. . 1185 11 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 53673.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 831 70.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 1.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 348 29.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 16 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 16 1.4 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 . 6 0.5 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 . 88 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 91 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 243 20.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 1.4 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 4 0 3 3 7 1 2 2 0 4 0 2 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 3 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 PARALLEL BRIDGES PER LADDER . 0 1 1 3 27 12 3 3 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 2 14 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 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 3 A T 0 0 165 0, 0.0 2,-0.1 0, 0.0 16,-0.0 0.000 360.0 360.0 360.0 148.9 -46.4 70.4 -30.4 2 4 A S - 0 0 59 15,-0.0 16,-2.2 1,-0.0 17,-0.3 -0.470 360.0-150.4 -91.9 159.4 -47.6 69.5 -26.9 3 5 A N E -A 17 0A 84 14,-0.3 2,-0.3 -2,-0.1 14,-0.2 -0.791 2.7-146.5-116.9 162.7 -46.7 70.9 -23.5 4 6 A V E -A 16 0A 0 12,-2.7 12,-2.3 -2,-0.3 2,-0.5 -0.863 16.2-131.6-118.0 162.8 -46.7 69.5 -19.9 5 7 A V E -Ab 15 36A 19 30,-2.6 32,-3.3 -2,-0.3 2,-0.5 -0.975 14.3-162.9-116.0 125.3 -47.3 71.4 -16.7 6 8 A L E -Ab 14 37A 10 8,-2.7 8,-2.4 -2,-0.5 2,-0.5 -0.931 10.6-150.4-105.6 126.8 -45.0 71.2 -13.8 7 9 A V E -Ab 13 38A 28 30,-2.2 32,-2.9 -2,-0.5 6,-0.2 -0.855 9.4-141.4-103.8 124.4 -46.4 72.3 -10.5 8 10 A S > - 0 0 5 4,-2.5 3,-2.2 -2,-0.5 35,-0.2 -0.241 31.1-102.0 -75.1 168.7 -44.0 73.7 -7.8 9 11 A G T 3 S+ 0 0 45 33,-3.1 34,-0.2 30,-0.3 32,-0.1 0.616 124.6 60.0 -66.2 -12.8 -44.3 73.1 -4.1 10 12 A E T 3 S- 0 0 118 32,-0.5 -1,-0.3 2,-0.1 33,-0.1 0.305 122.2-108.1 -95.9 6.8 -45.8 76.6 -3.9 11 13 A G < + 0 0 52 -3,-2.2 2,-0.4 1,-0.3 -2,-0.1 0.581 69.8 145.8 82.6 11.2 -48.6 75.5 -6.2 12 14 A E - 0 0 108 1,-0.0 -4,-2.5 2,-0.0 2,-0.5 -0.677 43.9-132.3 -90.4 136.0 -47.4 77.5 -9.2 13 15 A R E -A 7 0A 163 -2,-0.4 2,-0.6 -6,-0.2 -6,-0.2 -0.723 17.4-167.8 -92.8 125.7 -47.9 76.1 -12.7 14 16 A F E -A 6 0A 31 -8,-2.4 -8,-2.7 -2,-0.5 2,-0.4 -0.954 8.5-153.3-114.9 116.8 -45.1 76.1 -15.2 15 17 A T E +A 5 0A 88 -2,-0.6 2,-0.3 -10,-0.2 -10,-0.2 -0.763 25.1 163.9 -89.6 130.8 -45.9 75.3 -18.8 16 18 A V E -A 4 0A 5 -12,-2.3 -12,-2.7 -2,-0.4 5,-0.1 -0.996 44.6 -88.4-149.7 141.8 -43.0 73.8 -20.8 17 19 A D E > -A 3 0A 42 -2,-0.3 4,-2.6 -14,-0.2 -14,-0.3 -0.194 38.2-128.8 -49.3 138.2 -42.6 71.9 -24.1 18 20 A K H > S+ 0 0 48 -16,-2.2 4,-1.7 1,-0.2 -15,-0.1 0.931 104.1 44.0 -61.8 -53.3 -43.0 68.2 -23.6 19 21 A K H 4 S+ 0 0 145 -17,-0.3 -1,-0.2 1,-0.2 -16,-0.1 0.858 115.2 50.6 -64.3 -34.5 -39.8 66.9 -25.3 20 22 A I H >4 S+ 0 0 32 1,-0.2 3,-1.6 2,-0.2 -1,-0.2 0.926 109.4 51.0 -64.8 -43.5 -37.8 69.6 -23.6 21 23 A A H >< S+ 0 0 9 -4,-2.6 3,-2.3 1,-0.3 6,-0.2 0.777 90.9 77.6 -66.6 -25.6 -39.3 68.6 -20.2 22 24 A E T 3< + 0 0 37 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.498 68.5 87.8 -66.2 -1.2 -38.3 65.0 -20.9 23 25 A R T < S+ 0 0 62 -3,-1.6 2,-0.7 4,-0.1 -1,-0.3 0.887 76.8 75.2 -56.8 -40.4 -34.8 66.1 -19.9 24 26 A S S <> S- 0 0 8 -3,-2.3 4,-2.3 -4,-0.2 71,-0.2 -0.674 76.5-158.8 -71.5 114.6 -36.2 65.2 -16.5 25 27 A L H > S+ 0 0 74 70,-1.9 4,-2.3 -2,-0.7 70,-0.2 0.779 91.8 59.3 -69.4 -25.6 -36.1 61.4 -16.5 26 28 A L H > S+ 0 0 59 68,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.939 109.2 43.1 -63.5 -46.7 -38.7 61.5 -13.7 27 29 A L H > S+ 0 0 0 67,-0.4 4,-2.2 -6,-0.2 -2,-0.2 0.893 112.5 53.4 -65.2 -42.4 -41.1 63.4 -16.0 28 30 A K H X S+ 0 0 98 -4,-2.3 4,-1.6 -7,-0.2 -1,-0.2 0.909 112.8 42.9 -60.7 -43.9 -40.3 61.2 -18.9 29 31 A N H X S+ 0 0 86 -4,-2.3 4,-0.6 2,-0.2 -1,-0.2 0.800 109.4 59.3 -72.5 -28.9 -41.1 58.0 -17.0 30 32 A Y H >< S+ 0 0 112 -4,-1.8 3,-0.7 1,-0.2 -2,-0.2 0.908 108.0 44.7 -63.7 -43.0 -44.2 59.7 -15.5 31 33 A L H 3< S+ 0 0 34 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.872 107.6 59.1 -67.7 -37.7 -45.5 60.2 -19.1 32 34 A N H 3< 0 0 136 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.619 360.0 360.0 -67.9 -13.7 -44.6 56.6 -20.0 33 35 A D << 0 0 162 -3,-0.7 -3,-0.1 -4,-0.6 -4,-0.0 0.043 360.0 360.0-116.5 360.0 -46.8 55.3 -17.2 34 ! 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 35 75 A I 0 0 115 0, 0.0 -30,-2.6 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 127.8 -50.7 66.6 -18.6 36 76 A V E -b 5 0A 59 -32,-0.2 -30,-0.2 -30,-0.0 -23,-0.0 -0.947 360.0-170.8-117.8 122.6 -49.8 67.9 -15.2 37 77 A M E -b 6 0A 4 -32,-3.3 -30,-2.2 -2,-0.5 2,-0.1 -0.961 18.6-135.5-113.9 124.8 -46.9 66.6 -13.0 38 78 A P E -b 7 0A 71 0, 0.0 -30,-0.2 0, 0.0 -29,-0.1 -0.451 10.2-164.5 -70.6 143.7 -46.5 67.8 -9.4 39 79 A V > - 0 0 1 -32,-2.9 3,-1.0 -2,-0.1 -30,-0.3 -0.719 22.8-159.9-123.7 78.2 -43.0 68.7 -8.2 40 80 A P T 3 + 0 0 59 0, 0.0 -31,-0.1 0, 0.0 3,-0.1 -0.206 65.2 12.3 -63.1 149.0 -43.6 68.6 -4.4 41 81 A N T 3 S+ 0 0 161 1,-0.2 2,-0.5 -32,-0.1 -33,-0.1 0.655 94.1 118.1 62.7 21.5 -41.3 70.5 -2.0 42 82 A V < - 0 0 14 -3,-1.0 -33,-3.1 -35,-0.1 -32,-0.5 -0.981 65.3-124.0-119.1 118.5 -39.5 72.4 -4.7 43 83 A R > - 0 0 100 -2,-0.5 4,-2.7 -35,-0.2 5,-0.2 -0.197 18.8-119.2 -57.6 149.7 -39.8 76.2 -4.6 44 84 A S H > S+ 0 0 6 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.933 113.7 51.1 -54.6 -52.2 -41.2 78.1 -7.6 45 85 A S H > S+ 0 0 41 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.830 112.2 48.4 -58.8 -34.2 -38.0 80.1 -8.2 46 86 A V H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.943 112.3 46.5 -71.1 -49.3 -36.0 76.9 -8.0 47 87 A L H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.872 109.6 56.6 -58.0 -38.2 -38.2 75.0 -10.5 48 88 A Q H X S+ 0 0 120 -4,-3.0 4,-2.1 -5,-0.2 -1,-0.2 0.909 106.8 48.3 -62.9 -41.8 -38.1 78.1 -12.7 49 89 A K H X S+ 0 0 39 -4,-1.5 4,-2.6 2,-0.2 -2,-0.2 0.928 109.4 53.3 -62.0 -45.8 -34.3 77.9 -12.8 50 90 A V H X S+ 0 0 4 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.905 110.5 46.8 -56.8 -43.2 -34.4 74.2 -13.6 51 91 A I H X S+ 0 0 15 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.890 109.6 53.4 -66.4 -40.3 -36.7 74.8 -16.5 52 92 A E H X S+ 0 0 87 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.923 110.4 47.8 -60.9 -44.1 -34.6 77.7 -17.8 53 93 A W H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.904 113.0 48.9 -60.7 -43.1 -31.6 75.4 -17.8 54 94 A A H < S+ 0 0 9 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.894 111.5 47.5 -68.8 -40.4 -33.5 72.7 -19.6 55 95 A E H >< S+ 0 0 78 -4,-2.9 3,-1.1 1,-0.2 -1,-0.2 0.894 112.0 50.9 -67.4 -39.1 -34.9 75.0 -22.3 56 96 A H H 3< S+ 0 0 72 -4,-2.3 3,-0.4 -5,-0.2 -2,-0.2 0.890 114.3 43.8 -61.4 -39.8 -31.4 76.4 -22.8 57 97 A H T >< S+ 0 0 4 -4,-1.9 3,-1.2 1,-0.2 -1,-0.2 0.143 75.4 122.8 -95.2 20.0 -29.9 72.9 -23.2 58 98 A R T < S+ 0 0 145 -3,-1.1 -1,-0.2 1,-0.3 -2,-0.1 0.782 85.6 31.4 -52.7 -33.4 -32.7 71.6 -25.4 59 99 A D T 3 S+ 0 0 131 -3,-0.4 -1,-0.3 -4,-0.2 2,-0.1 0.407 94.2 118.4-107.1 -0.6 -30.3 70.6 -28.2 60 100 A S < - 0 0 35 -3,-1.2 2,-0.5 -4,-0.0 -3,-0.0 -0.435 50.3-154.1 -66.8 136.3 -27.3 69.9 -25.9 61 101 A N - 0 0 158 -2,-0.1 -2,-0.1 0, 0.0 -3,-0.0 -0.972 12.8-164.4-112.3 127.4 -26.0 66.3 -26.0 62 102 A F - 0 0 76 -2,-0.5 2,-0.1 0, 0.0 -2,-0.0 -0.890 19.8 -87.7-113.6 140.0 -24.2 65.1 -22.8 63 103 A P 0 0 98 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.396 360.0 360.0 -61.7 155.3 -22.0 62.1 -22.2 64 104 A D 0 0 198 -2,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.809 360.0 360.0-125.4 360.0 -22.2 59.3 -21.5 65 ! 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 66 113 A S 0 0 141 0, 0.0 97,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 137.9 -13.0 65.6 -15.6 67 114 A A - 0 0 69 1,-0.1 2,-0.1 0, 0.0 0, 0.0 -0.114 360.0-122.3 -58.4 148.2 -14.8 67.9 -18.0 68 115 A P - 0 0 119 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.485 30.1 -84.6 -96.6 163.6 -15.3 71.6 -17.0 69 116 A V - 0 0 25 -2,-0.1 5,-0.0 1,-0.1 2,-0.0 -0.420 43.6-115.3 -71.9 131.5 -18.5 73.7 -16.5 70 117 A D > - 0 0 72 -2,-0.2 4,-2.4 1,-0.1 3,-0.2 -0.345 25.9-118.5 -64.3 143.2 -19.9 75.4 -19.6 71 118 A S H > S+ 0 0 85 1,-0.3 4,-1.6 2,-0.2 5,-0.2 0.814 113.5 50.3 -61.4 -34.2 -19.8 79.2 -19.5 72 119 A W H > S+ 0 0 72 2,-0.2 4,-2.5 1,-0.2 -1,-0.3 0.911 111.7 49.2 -66.3 -42.2 -23.5 79.7 -19.6 73 120 A D H > S+ 0 0 8 -3,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.883 106.9 55.8 -63.2 -40.1 -24.0 77.2 -16.8 74 121 A R H < S+ 0 0 134 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.902 113.0 40.2 -61.4 -43.1 -21.3 78.9 -14.7 75 122 A E H >< S+ 0 0 133 -4,-1.6 3,-1.1 1,-0.2 -1,-0.2 0.884 115.8 52.0 -72.0 -38.7 -23.2 82.2 -14.9 76 123 A F H 3< S+ 0 0 11 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.841 111.5 46.6 -65.5 -35.2 -26.6 80.5 -14.5 77 124 A L T 3< S+ 0 0 2 -4,-2.7 2,-1.8 -5,-0.2 -1,-0.3 0.292 81.2 108.7 -92.2 9.3 -25.4 78.6 -11.4 78 125 A K < + 0 0 155 -3,-1.1 2,-0.2 -5,-0.1 -1,-0.1 -0.574 54.2 119.4 -83.7 75.2 -23.9 81.8 -9.9 79 126 A V S S- 0 0 48 -2,-1.8 2,-0.1 1,-0.1 -2,-0.1 -0.684 71.6 -67.2-128.2 179.7 -26.5 82.1 -7.2 80 127 A D > - 0 0 68 -2,-0.2 4,-2.3 1,-0.1 3,-0.4 -0.371 52.0-107.6 -70.9 156.8 -26.7 82.2 -3.4 81 128 A Q H > S+ 0 0 18 62,-0.3 4,-2.7 1,-0.3 5,-0.2 0.828 117.6 53.9 -58.5 -38.8 -25.8 79.0 -1.6 82 129 A E H > S+ 0 0 46 62,-0.8 4,-2.3 2,-0.2 -1,-0.3 0.916 111.2 46.4 -60.2 -44.6 -29.3 78.2 -0.6 83 130 A M H > S+ 0 0 21 -3,-0.4 4,-2.5 2,-0.2 -2,-0.2 0.901 112.2 50.4 -64.8 -40.6 -30.5 78.4 -4.2 84 131 A L H X S+ 0 0 4 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.921 110.2 51.4 -63.8 -43.8 -27.5 76.3 -5.4 85 132 A Y H X S+ 0 0 33 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.920 112.8 44.3 -54.8 -48.9 -28.4 73.7 -2.7 86 133 A E H X S+ 0 0 42 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.842 109.5 55.0 -73.1 -32.1 -32.0 73.6 -3.8 87 134 A I H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.921 109.6 48.7 -63.4 -42.1 -31.2 73.5 -7.5 88 135 A I H X S+ 0 0 1 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.917 112.3 47.8 -62.7 -44.3 -29.0 70.5 -6.8 89 136 A L H X S+ 0 0 57 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.862 112.6 48.8 -64.3 -38.0 -31.8 68.8 -4.8 90 137 A A H X S+ 0 0 1 -4,-2.3 4,-3.4 2,-0.2 5,-0.2 0.913 109.8 50.8 -70.7 -42.7 -34.4 69.4 -7.5 91 138 A A H <>S+ 0 0 0 -4,-2.5 5,-2.9 1,-0.2 4,-0.4 0.871 112.2 49.1 -58.8 -38.1 -32.1 68.1 -10.3 92 139 A N H <5S+ 0 0 79 -4,-1.9 3,-0.4 3,-0.2 -2,-0.2 0.917 114.2 44.1 -69.1 -43.2 -31.6 65.0 -8.2 93 140 A Y H <5S+ 0 0 104 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.932 117.1 44.8 -65.0 -47.1 -35.3 64.6 -7.6 94 141 A L T <5S- 0 0 3 -4,-3.4 -68,-1.8 -5,-0.1 -67,-0.4 0.506 111.9-123.4 -77.1 -4.0 -36.2 65.3 -11.2 95 142 A N T 5 + 0 0 75 -4,-0.4 -70,-1.9 -3,-0.4 2,-0.5 0.976 55.8 152.7 57.4 59.7 -33.4 63.0 -12.3 96 143 A I >>< - 0 0 4 -5,-2.9 4,-2.5 -72,-0.2 3,-0.6 -0.759 18.4-178.9-115.8 80.5 -31.5 65.5 -14.4 97 144 A K H 3> S+ 0 0 97 -2,-0.5 4,-3.5 1,-0.2 5,-0.2 0.871 76.0 53.0 -49.9 -49.1 -28.0 64.1 -14.2 98 145 A P H 3> S+ 0 0 29 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.876 112.6 45.3 -60.8 -35.3 -26.2 66.8 -16.3 99 146 A L H <> S+ 0 0 1 -3,-0.6 4,-2.5 2,-0.2 -2,-0.2 0.932 113.3 50.2 -70.4 -45.2 -27.7 69.6 -14.2 100 147 A L H X S+ 0 0 11 -4,-2.5 4,-2.1 1,-0.2 5,-0.2 0.935 111.6 49.2 -52.6 -49.9 -26.9 67.7 -11.0 101 148 A D H X S+ 0 0 25 -4,-3.5 4,-2.4 1,-0.2 -2,-0.2 0.928 109.3 51.8 -57.0 -48.3 -23.3 67.3 -12.3 102 149 A A H X S+ 0 0 6 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.918 109.4 49.1 -57.3 -47.9 -23.0 71.0 -13.2 103 150 A G H X S+ 0 0 1 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.895 110.7 50.4 -59.0 -43.0 -24.1 72.1 -9.7 104 151 A C H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.890 107.9 53.4 -63.5 -38.7 -21.6 69.8 -8.1 105 152 A K H X S+ 0 0 48 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.887 107.4 52.0 -62.8 -38.2 -18.8 71.1 -10.3 106 153 A V H X S+ 0 0 25 -4,-2.0 4,-1.2 2,-0.2 -2,-0.2 0.903 108.7 49.7 -66.0 -41.3 -19.7 74.6 -9.2 107 154 A V H X S+ 0 0 0 -4,-2.0 4,-0.9 1,-0.2 3,-0.4 0.904 108.9 52.6 -61.8 -41.2 -19.5 73.7 -5.5 108 155 A A H >X S+ 0 0 5 -4,-2.2 4,-2.2 1,-0.2 3,-0.5 0.864 104.2 57.1 -62.9 -34.6 -16.1 72.0 -6.1 109 156 A E H 3< S+ 0 0 107 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.803 101.3 56.6 -66.6 -29.8 -14.9 75.3 -7.7 110 157 A M H 3< S+ 0 0 50 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.792 114.2 39.7 -67.9 -28.7 -15.8 77.1 -4.5 111 158 A I H X< S+ 0 0 0 -4,-0.9 3,-2.0 -3,-0.5 -2,-0.2 0.793 88.3 114.9 -90.7 -32.0 -13.5 74.7 -2.6 112 159 A R T 3< S- 0 0 126 -4,-2.2 3,-0.1 1,-0.3 52,-0.0 -0.096 90.1 -4.6 -53.4 126.4 -10.7 74.4 -5.1 113 160 A G T 3 S+ 0 0 61 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.623 101.3 130.9 70.0 14.1 -7.3 75.8 -4.0 114 161 A R < - 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0 0 85 -64,-0.1 2,-0.3 -65,-0.1 -1,-0.2 -0.375 21.9-175.3 -71.4 149.8 -24.5 80.6 3.4 146 272 B R - 0 0 75 -24,-0.2 2,-2.1 -3,-0.1 3,-0.2 -0.989 37.9-119.5-152.1 136.7 -24.8 76.9 3.9 147 273 B D > + 0 0 32 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 -0.567 39.4 177.1 -71.9 84.5 -22.7 73.9 4.7 148 274 B L H > S+ 0 0 0 -2,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.836 72.7 55.9 -61.6 -36.8 -23.6 72.2 1.4 149 275 B I H 4 S+ 0 0 0 1,-0.2 -1,-0.2 2,-0.2 8,-0.2 0.907 114.8 38.1 -66.5 -41.7 -21.3 69.2 2.0 150 276 B T H 4 S+ 0 0 59 1,-0.1 -2,-0.2 -3,-0.1 -1,-0.2 0.914 119.3 48.1 -71.9 -43.5 -23.0 68.4 5.3 151 277 B S H < S+ 0 0 39 -4,-2.7 -2,-0.2 2,-0.1 -3,-0.2 0.889 96.4 79.2 -68.8 -43.9 -26.5 69.2 4.2 152 278 B L S < S- 0 0 6 -4,-2.6 5,-0.0 -5,-0.2 -67,-0.0 -0.189 97.4 -87.3 -64.4 155.8 -26.5 67.3 0.9 153 279 B P >> - 0 0 61 0, 0.0 4,-1.9 0, 0.0 3,-0.9 -0.378 44.4-109.2 -60.8 147.5 -27.1 63.6 0.7 154 280 B F H 3> S+ 0 0 69 1,-0.3 4,-2.1 2,-0.2 5,-0.2 0.834 115.6 53.0 -48.6 -47.9 -23.9 61.6 1.1 155 281 B E H 3> S+ 0 0 133 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.851 110.5 49.0 -61.1 -34.7 -23.7 60.3 -2.5 156 282 B I H <> S+ 0 0 7 -3,-0.9 4,-1.4 2,-0.2 -1,-0.2 0.899 110.3 48.1 -73.7 -41.5 -24.0 63.9 -3.8 157 283 B S H X S+ 0 0 0 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.837 110.0 55.7 -65.7 -30.2 -21.3 65.4 -1.5 158 284 B L H X S+ 0 0 10 -4,-2.1 4,-1.8 -5,-0.3 -2,-0.2 0.885 102.3 55.0 -66.5 -40.0 -19.2 62.4 -2.7 159 285 B K H < S+ 0 0 54 -4,-1.5 4,-0.5 1,-0.2 -1,-0.2 0.857 105.6 53.9 -59.4 -36.4 -19.8 63.5 -6.3 160 286 B I H >< S+ 0 0 0 -4,-1.4 3,-1.1 1,-0.2 -1,-0.2 0.911 107.1 49.2 -66.7 -43.4 -18.4 66.9 -5.3 161 287 B F H >< S+ 0 0 0 -4,-1.7 3,-1.6 1,-0.3 -1,-0.2 0.818 102.3 62.5 -68.1 -30.4 -15.2 65.5 -3.9 162 288 B N T 3< S+ 0 0 51 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.662 98.8 57.1 -67.3 -16.0 -14.6 63.4 -7.0 163 289 B Y T < S+ 0 0 67 -3,-1.1 -1,-0.3 -4,-0.5 2,-0.3 0.423 96.6 87.2 -91.2 -1.0 -14.4 66.6 -9.0 164 290 B L S < S- 0 0 14 -3,-1.6 2,-0.1 -4,-0.1 -55,-0.1 -0.675 79.4-117.1-101.4 153.4 -11.6 67.8 -6.7 165 291 B Q >> - 0 0 122 -2,-0.3 4,-1.7 1,-0.1 3,-0.8 -0.463 39.0-103.7 -76.5 160.8 -7.8 67.3 -6.9 166 292 B F H 3> S+ 0 0 24 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.804 119.3 61.4 -60.4 -30.8 -6.2 65.4 -4.1 167 293 B E H 3> S+ 0 0 79 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.905 105.8 46.0 -61.3 -41.6 -4.8 68.6 -2.6 168 294 B D H <> S+ 0 0 6 -3,-0.8 4,-2.1 2,-0.2 -1,-0.2 0.873 110.9 52.8 -71.3 -36.5 -8.3 70.0 -2.1 169 295 B I H X S+ 0 0 2 -4,-1.7 4,-1.4 2,-0.2 -2,-0.2 0.904 108.4 51.1 -63.6 -40.8 -9.5 66.8 -0.6 170 296 B I H X S+ 0 0 28 -4,-2.5 4,-0.5 1,-0.2 3,-0.3 0.920 111.6 46.4 -63.2 -45.2 -6.6 66.9 1.9 171 297 B N H >< S+ 0 0 56 -4,-2.1 3,-1.4 1,-0.2 -1,-0.2 0.870 106.8 59.5 -61.9 -37.0 -7.5 70.4 2.9 172 298 B S H >X S+ 0 0 0 -4,-2.1 3,-1.7 1,-0.3 4,-0.5 0.829 94.1 64.6 -65.0 -31.1 -11.2 69.4 3.2 173 299 B L H 3< S+ 0 0 6 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.762 102.3 50.8 -58.9 -26.7 -10.2 66.8 5.8 174 300 B G T << S+ 0 0 14 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.293 88.1 86.0 -95.8 9.6 -9.2 69.7 8.0 175 301 B V T <4 S- 0 0 0 -3,-1.7 2,-0.3 1,-0.3 -47,-0.2 0.927 103.1 -34.8 -78.8 -47.0 -12.4 71.7 7.6 176 302 B S X - 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0 0 73 -3,-2.1 -1,-0.2 1,-0.0 56,-0.1 -0.787 56.6-123.2-103.7 143.2 10.4 13.5 26.2 709 162 C S > - 0 0 45 -2,-0.3 4,-2.5 -3,-0.1 5,-0.2 -0.339 35.2-102.6 -72.3 161.2 10.7 12.0 29.7 710 163 C P H > S+ 0 0 33 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.856 124.3 50.4 -53.1 -37.1 8.3 13.2 32.4 711 164 C E H > S+ 0 0 104 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.910 109.9 48.3 -70.1 -42.4 11.2 15.2 33.9 712 165 C E H > S+ 0 0 63 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.874 111.9 51.2 -64.2 -36.2 12.0 16.9 30.6 713 166 C I H X S+ 0 0 0 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.926 109.1 50.4 -64.9 -44.5 8.3 17.6 30.1 714 167 C R H X>S+ 0 0 11 -4,-2.2 5,-2.6 1,-0.2 4,-0.7 0.880 110.6 49.6 -60.3 -38.3 8.1 19.2 33.6 715 168 C R H <5S+ 0 0 146 -4,-2.1 -1,-0.2 3,-0.2 3,-0.2 0.845 107.3 55.1 -72.0 -33.8 11.2 21.3 32.7 716 169 C T H <5S+ 0 0 22 -4,-1.8 -2,-0.2 1,-0.2 23,-0.2 0.923 122.0 26.8 -63.1 -44.7 9.6 22.5 29.4 717 170 C F H <5S- 0 0 1 -4,-1.9 -1,-0.2 21,-0.1 -2,-0.2 0.323 107.6-115.1-103.9 7.5 6.4 23.8 31.1 718 171 C N T <5 + 0 0 122 -4,-0.7 2,-0.4 -3,-0.2 -3,-0.2 0.950 55.4 168.8 53.9 54.1 7.8 24.6 34.5 719 172 C I < - 0 0 18 -5,-2.6 2,-0.4 -8,-0.1 -1,-0.2 -0.836 32.3-130.5-102.3 132.7 5.6 21.9 36.2 720 173 C V - 0 0 109 -2,-0.4 2,-1.0 1,-0.1 -5,-0.0 -0.642 18.5-125.9 -79.0 131.5 6.1 20.8 39.8 721 174 C N + 0 0 51 -2,-0.4 48,-0.1 1,-0.1 -1,-0.1 -0.719 36.3 173.8 -73.8 104.8 6.3 17.1 40.4 722 175 C D + 0 0 83 -2,-1.0 2,-0.3 46,-0.2 -1,-0.1 0.140 30.8 120.6-107.5 19.3 3.6 16.8 43.0 723 176 C F - 0 0 16 45,-0.2 -2,-0.0 44,-0.1 44,-0.0 -0.632 63.0-124.6 -79.8 138.7 3.4 13.0 43.4 724 177 C T > - 0 0 75 -2,-0.3 4,-2.8 1,-0.1 5,-0.3 -0.426 33.0-105.9 -68.5 157.2 4.1 11.5 46.9 725 178 C P H > S+ 0 0 113 0, 0.0 4,-1.6 0, 0.0 5,-0.1 0.855 123.6 50.4 -54.9 -33.8 6.9 8.9 46.8 726 179 C E H > S+ 0 0 153 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.921 112.1 44.9 -68.9 -45.2 4.2 6.3 47.1 727 180 C E H > S+ 0 0 70 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.873 111.2 53.6 -68.8 -36.3 2.1 7.6 44.3 728 181 C E H X S+ 0 0 41 -4,-2.8 4,-1.3 1,-0.2 -1,-0.2 0.877 110.0 47.3 -68.1 -37.6 5.1 8.1 42.0 729 182 C A H X S+ 0 0 44 -4,-1.6 4,-1.4 -5,-0.3 -1,-0.2 0.862 111.0 53.3 -68.8 -35.2 6.1 4.5 42.5 730 183 C A H X S+ 0 0 23 -4,-1.8 4,-0.8 1,-0.2 -2,-0.2 0.833 106.5 50.5 -71.3 -34.6 2.5 3.3 41.9 731 184 C I H < S+ 0 0 17 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.866 108.2 53.3 -72.3 -34.8 2.2 5.1 38.5 732 185 C R H >< S+ 0 0 143 -4,-1.3 3,-1.4 1,-0.2 -2,-0.2 0.855 103.9 53.4 -71.0 -36.3 5.4 3.7 37.2 733 186 C R H 3< S+ 0 0 190 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.801 106.4 56.0 -67.4 -25.8 4.6 0.1 37.8 734 187 C E T 3< 0 0 84 -4,-0.8 -1,-0.3 1,-0.2 -2,-0.2 0.119 360.0 360.0 -92.6 20.8 1.4 0.7 35.9 735 188 C N < 0 0 97 -3,-1.4 -1,-0.2 88,-0.0 -3,-0.1 0.071 360.0 360.0 -68.0 360.0 3.3 1.9 32.9 736 !* 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 0.0 737 270 D L 0 0 184 0, 0.0 -61,-0.5 0, 0.0 -62,-0.3 0.000 360.0 360.0 360.0 124.5 8.5 32.4 30.6 738 271 D K - 0 0 99 -63,-0.1 2,-0.4 -64,-0.1 -21,-0.1 -0.383 360.0-166.5 -94.4 157.1 6.8 29.0 30.8 739 272 D R - 0 0 76 -23,-0.2 2,-2.1 -2,-0.1 3,-0.2 -0.992 30.9-123.1-143.4 130.7 3.2 27.9 31.2 740 273 D D > + 0 0 34 -2,-0.4 4,-2.5 1,-0.2 3,-0.3 -0.531 37.9 178.1 -68.9 83.7 1.5 24.6 32.0 741 274 D L H > S+ 0 0 0 -2,-2.1 4,-2.9 1,-0.2 -1,-0.2 0.847 72.7 56.5 -59.7 -39.0 -0.5 24.7 28.8 742 275 D I H 4 S+ 0 0 1 1,-0.2 -1,-0.2 2,-0.2 8,-0.2 0.882 113.8 39.3 -64.4 -39.1 -2.1 21.3 29.4 743 276 D T H 4 S+ 0 0 56 -3,-0.3 -2,-0.2 1,-0.1 -1,-0.2 0.899 119.3 46.8 -74.2 -41.6 -3.5 22.4 32.8 744 277 D S H < S+ 0 0 39 -4,-2.5 -2,-0.2 2,-0.1 -3,-0.2 0.883 96.1 81.3 -73.4 -41.4 -4.4 25.9 31.6 745 278 D L S < S- 0 0 7 -4,-2.9 5,-0.0 -5,-0.2 -66,-0.0 -0.202 98.5 -85.6 -62.4 154.6 -6.2 25.1 28.3 746 279 D P >> - 0 0 50 0, 0.0 4,-1.7 0, 0.0 3,-1.5 -0.382 45.0-109.5 -57.0 143.1 -9.8 24.0 28.4 747 280 D F H 3> S+ 0 0 54 1,-0.3 4,-2.1 2,-0.2 5,-0.2 0.819 116.7 54.4 -43.7 -44.8 -10.1 20.2 28.9 748 281 D E H 3> S+ 0 0 129 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.794 107.1 50.4 -65.5 -30.6 -11.2 19.5 25.4 749 282 D I H <> S+ 0 0 4 -3,-1.5 4,-1.7 2,-0.2 -1,-0.2 0.874 108.8 50.5 -78.8 -36.3 -8.2 21.3 23.8 750 283 D S H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.899 109.1 52.4 -65.9 -40.3 -5.7 19.4 26.0 751 284 D L H X S+ 0 0 15 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.922 106.6 53.7 -56.5 -45.2 -7.3 16.2 24.9 752 285 D K H < S+ 0 0 57 -4,-1.6 4,-0.4 1,-0.2 -1,-0.2 0.871 108.4 50.3 -58.9 -37.6 -6.9 17.3 21.3 753 286 D I H >< S+ 0 0 0 -4,-1.7 3,-1.4 1,-0.2 4,-0.3 0.931 109.8 49.0 -64.6 -46.5 -3.2 17.8 22.1 754 287 D F H >< S+ 0 0 0 -4,-2.5 3,-1.5 1,-0.3 -2,-0.2 0.806 100.6 65.6 -64.8 -30.1 -2.8 14.3 23.6 755 288 D N T 3< S+ 0 0 37 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.637 96.6 56.3 -69.3 -13.8 -4.6 12.8 20.6 756 289 D Y T < S+ 0 0 27 -3,-1.4 -1,-0.3 -4,-0.4 2,-0.2 0.546 96.2 89.7 -87.6 -9.0 -1.7 13.9 18.4 757 290 D L S < S- 0 0 11 -3,-1.5 2,-0.1 -4,-0.3 -54,-0.1 -0.560 80.5-115.6 -93.2 151.4 0.7 12.0 20.6 758 291 D Q >> - 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