==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL PROTEIN/DNA 01-DEC-09 3KWQ . COMPND 2 MOLECULE: HISTONE H3.2; . SOURCE 2 ORGANISM_SCIENTIFIC: XENOPUS LAEVIS; . AUTHOR W.G.LILYESTROM,N.CLARK . 757 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35815.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 586 77.4 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 . 32 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 103 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 402 53.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 2.1 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 2 0 1 2 6 6 2 1 0 0 0 0 0 2 0 0 0 0 0 1 2 2 3 0 0 RESIDUES PER ALPHA HELIX . 1 8 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 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 . 9 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 0 190 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 40.7 111.6 81.0 -80.7 2 39 A H + 0 0 138 2,-0.0 2,-0.4 0, 0.0 0, 0.0 -0.761 360.0 164.9 -95.9 124.4 109.5 79.5 -77.9 3 40 A R - 0 0 224 -2,-0.5 2,-0.3 0, 0.0 0, 0.0 -0.998 28.4-136.9-140.3 133.4 106.1 80.8 -77.0 4 41 A Y - 0 0 129 -2,-0.4 3,-0.1 1,-0.1 5,-0.1 -0.643 34.1-109.5 -84.8 140.7 103.2 79.4 -74.9 5 42 A R >> - 0 0 182 -2,-0.3 3,-2.4 1,-0.1 4,-0.5 -0.390 44.9 -84.8 -72.5 149.1 99.7 79.8 -76.3 6 43 A P T 34 S+ 0 0 111 0, 0.0 -1,-0.1 0, 0.0 115,-0.0 -0.293 117.4 24.9 -54.6 119.8 97.3 82.2 -74.6 7 44 A G T 3> S+ 0 0 11 -2,-0.1 4,-2.8 -3,-0.1 5,-0.2 0.040 97.6 89.4 114.3 -26.0 95.6 80.4 -71.7 8 45 A T H <> S+ 0 0 58 -3,-2.4 4,-0.5 2,-0.2 -3,-0.0 0.780 96.4 40.1 -73.8 -26.8 98.3 77.9 -71.1 9 46 A V H X S+ 0 0 53 -4,-0.5 4,-1.8 2,-0.2 -1,-0.2 0.850 114.6 53.0 -86.5 -37.3 100.0 80.2 -68.8 10 47 A A H >> S+ 0 0 5 1,-0.2 4,-2.5 2,-0.2 3,-1.1 0.986 107.3 51.4 -58.1 -58.7 96.7 81.4 -67.3 11 48 A L H 3X S+ 0 0 14 -4,-2.8 4,-1.5 1,-0.3 -1,-0.2 0.782 110.0 50.1 -51.0 -29.8 95.6 77.9 -66.6 12 49 A R H 3X S+ 0 0 109 -4,-0.5 4,-2.4 2,-0.2 -1,-0.3 0.812 108.6 52.5 -80.9 -27.1 98.9 77.2 -64.8 13 50 A E H X S+ 0 0 151 -4,-2.4 4,-0.6 1,-0.2 3,-0.5 0.928 115.1 39.6 -56.3 -52.9 99.4 77.8 -58.8 17 54 A Y H 3< S+ 0 0 17 -4,-3.1 641,-0.2 1,-0.2 -1,-0.2 0.627 106.8 59.3 -77.9 -17.1 97.3 80.3 -56.8 18 55 A Q H 3< S+ 0 0 10 -4,-1.8 640,-0.4 -5,-0.3 -1,-0.2 0.625 107.2 54.0 -84.4 -9.0 94.5 78.0 -55.7 19 56 A E H << S+ 0 0 131 -4,-0.7 2,-0.3 -3,-0.5 -2,-0.2 0.683 103.6 61.1 -93.1 -23.1 97.2 76.0 -54.1 20 57 A S < - 0 0 29 -4,-0.6 638,-0.3 1,-0.1 636,-0.1 -0.701 58.5-159.8-104.9 160.5 98.8 78.8 -52.0 21 58 A T + 0 0 27 -2,-0.3 636,-0.3 636,-0.1 634,-0.1 0.434 49.3 124.7-116.2 -2.9 97.2 80.9 -49.3 22 59 A E S S- 0 0 87 1,-0.1 2,-0.1 633,-0.1 -2,-0.1 -0.151 71.6 -94.8 -56.6 153.1 99.5 83.8 -49.3 23 60 A L - 0 0 30 1,-0.1 -1,-0.1 2,-0.1 4,-0.1 -0.443 29.2-156.9 -70.2 143.5 98.0 87.3 -49.8 24 61 A L + 0 0 4 -2,-0.1 2,-0.4 -3,-0.1 88,-0.2 0.615 68.0 74.7-100.6 -15.1 98.0 88.6 -53.4 25 62 A I S S- 0 0 7 87,-0.1 2,-0.5 80,-0.1 80,-0.1 -0.785 92.0-105.4 -97.5 145.4 97.9 92.3 -53.0 26 63 A R > - 0 0 164 -2,-0.4 4,-2.3 78,-0.2 5,-0.2 -0.569 25.8-136.2 -75.3 119.2 101.0 94.1 -51.9 27 64 A K H > S+ 0 0 116 -2,-0.5 4,-3.2 2,-0.2 5,-0.2 0.767 96.3 51.1 -41.3 -47.7 100.7 95.2 -48.2 28 65 A L H >> S+ 0 0 112 2,-0.2 4,-2.0 1,-0.2 3,-0.5 0.995 112.5 44.7 -57.6 -69.0 102.1 98.7 -48.4 29 66 A P H 3> S+ 0 0 19 0, 0.0 4,-1.3 0, 0.0 3,-0.4 0.866 117.5 48.6 -39.1 -48.3 99.9 99.8 -51.3 30 67 A F H 3X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 3,-0.3 0.884 107.5 52.3 -63.4 -43.9 97.0 98.2 -49.5 31 68 A Q H < S+ 0 0 2 -4,-2.8 3,-1.4 1,-0.2 -1,-0.2 0.913 113.1 51.0 -67.7 -46.3 89.7 105.8 -46.9 38 75 A A H >X S+ 0 0 1 -4,-1.8 3,-3.8 -5,-0.3 4,-1.9 0.883 93.7 72.6 -60.1 -40.4 89.6 105.9 -43.1 39 76 A Q T 3< S+ 0 0 90 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.731 93.7 59.0 -48.8 -20.0 90.9 109.5 -43.0 40 77 A D T <4 S+ 0 0 119 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.593 107.3 42.6 -87.7 -11.2 87.5 110.4 -44.3 41 78 A F T <4 S- 0 0 62 -3,-3.8 2,-0.3 1,-0.4 -2,-0.2 0.714 133.8 -1.2-103.0 -30.4 85.6 109.0 -41.4 42 79 A K S < S- 0 0 52 -4,-1.9 -1,-0.4 113,-0.0 3,-0.2 -0.882 76.0-119.7-163.4 131.6 87.9 110.2 -38.7 43 80 A T S S+ 0 0 99 -2,-0.3 -3,-0.1 1,-0.2 -4,-0.1 -0.375 83.0 10.2 -76.2 149.4 91.1 112.2 -38.8 44 81 A D S S+ 0 0 105 1,-0.1 2,-0.3 -2,-0.1 -1,-0.2 0.959 81.1 166.1 48.0 71.5 94.5 111.1 -37.4 45 82 A L - 0 0 19 -3,-0.2 2,-0.3 -10,-0.1 111,-0.2 -0.708 26.7-145.8-111.0 164.6 93.8 107.5 -36.7 46 83 A R E -a 156 0A 179 109,-2.3 111,-2.6 -2,-0.3 2,-0.4 -0.951 10.3-145.3-126.7 148.2 96.2 104.6 -36.0 47 84 A F E -a 157 0A 21 -2,-0.3 2,-0.2 109,-0.2 111,-0.2 -0.937 16.0-125.0-117.3 137.7 95.7 101.0 -37.1 48 85 A Q >> - 0 0 89 109,-1.9 3,-1.9 -2,-0.4 4,-1.7 -0.596 28.2-124.5 -73.7 141.6 96.8 97.9 -35.1 49 86 A S H 3> S+ 0 0 93 1,-0.3 4,-1.2 -2,-0.2 -1,-0.1 0.814 114.6 52.1 -56.0 -32.9 99.0 95.9 -37.5 50 87 A S H 3> S+ 0 0 43 2,-0.2 4,-1.5 1,-0.2 -1,-0.3 0.576 104.8 58.7 -79.7 -10.2 96.6 92.9 -37.0 51 88 A A H <> S+ 0 0 0 -3,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.895 104.5 46.5 -83.8 -45.6 93.7 95.2 -37.9 52 89 A V H X S+ 0 0 5 -4,-1.7 4,-1.7 1,-0.2 -2,-0.2 0.860 114.4 51.2 -63.7 -33.5 95.0 96.1 -41.3 53 90 A M H X S+ 0 0 50 -4,-1.2 4,-2.6 -5,-0.2 5,-0.3 0.935 105.5 50.9 -71.0 -45.6 95.7 92.4 -41.9 54 91 A A H X S+ 0 0 0 -4,-1.5 4,-1.9 1,-0.2 -1,-0.2 0.894 110.8 55.3 -57.3 -34.3 92.3 91.2 -40.9 55 92 A L H X S+ 0 0 2 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.889 109.5 43.3 -64.9 -41.7 91.2 93.8 -43.3 56 93 A Q H X S+ 0 0 2 -4,-1.7 4,-2.9 2,-0.2 5,-0.5 0.968 110.9 52.5 -69.5 -55.0 93.3 92.4 -46.2 57 94 A E H X S+ 0 0 16 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.905 114.5 45.0 -43.7 -48.3 92.4 88.8 -45.6 58 95 A A H X S+ 0 0 2 -4,-1.9 4,-1.9 -5,-0.3 -1,-0.2 0.856 112.2 51.3 -67.2 -39.1 88.7 89.8 -45.7 59 96 A S H X S+ 0 0 0 -4,-1.8 4,-3.0 2,-0.2 -2,-0.2 0.929 117.1 36.6 -67.1 -48.8 89.1 92.0 -48.8 60 97 A E H X S+ 0 0 4 -4,-2.9 4,-3.5 2,-0.2 5,-0.3 0.915 114.7 55.5 -71.3 -40.8 90.8 89.5 -51.0 61 98 A A H X S+ 0 0 28 -4,-2.3 4,-1.5 -5,-0.5 -1,-0.2 0.906 113.4 44.9 -55.2 -40.2 88.8 86.6 -49.5 62 99 A Y H X S+ 0 0 8 -4,-1.9 4,-1.8 -5,-0.2 -2,-0.2 0.968 113.8 46.9 -65.9 -58.2 85.8 88.7 -50.6 63 100 A L H X S+ 0 0 2 -4,-3.0 4,-2.0 1,-0.2 5,-0.2 0.898 108.5 56.0 -53.0 -47.1 87.2 89.6 -54.1 64 101 A V H >X S+ 0 0 7 -4,-3.5 4,-2.3 1,-0.2 3,-0.8 0.968 107.4 47.2 -50.9 -61.0 88.2 86.1 -54.9 65 102 A A H 3X S+ 0 0 27 -4,-1.5 4,-1.5 -5,-0.3 -1,-0.2 0.849 109.9 55.5 -50.0 -39.6 84.7 84.7 -54.3 66 103 A L H 3X S+ 0 0 5 -4,-1.8 4,-2.6 2,-0.2 -1,-0.3 0.856 104.6 50.8 -64.6 -37.8 83.2 87.5 -56.4 67 104 A F H <>S+ 0 0 0 -4,-2.0 3,-1.4 2,-0.2 5,-1.2 0.968 112.2 51.7 -68.5 -52.9 80.7 85.0 -68.2 75 112 A I H ><5S+ 0 0 37 -4,-3.1 3,-1.5 1,-0.3 -1,-0.2 0.863 105.5 58.9 -49.6 -35.9 80.5 81.2 -68.7 76 113 A H H 3<5S+ 0 0 19 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.832 106.0 46.1 -65.4 -32.6 76.8 81.7 -68.6 77 114 A A T <<5S- 0 0 20 -3,-1.4 -1,-0.3 -4,-1.0 -2,-0.2 0.230 126.5-103.1 -92.9 12.3 76.9 84.2 -71.5 78 115 A K T < 5S+ 0 0 178 -3,-1.5 2,-0.3 -4,-0.3 -3,-0.2 0.951 82.1 119.3 67.6 52.0 79.1 81.7 -73.3 79 116 A R < - 0 0 47 -5,-1.2 -1,-0.2 -8,-0.2 -2,-0.1 -0.861 54.1-157.1-137.8 171.5 82.4 83.6 -72.8 80 117 A V S S+ 0 0 55 -2,-0.3 41,-1.4 -3,-0.1 2,-0.5 0.361 78.5 82.5-126.8 -12.1 85.7 82.9 -71.1 81 118 A T E S-b 121 0B 35 39,-0.1 41,-0.2 -7,-0.1 2,-0.2 -0.902 75.3-140.7 -95.1 123.0 86.5 86.6 -70.6 82 119 A I E -b 122 0B 0 39,-1.8 41,-1.8 -2,-0.5 44,-0.2 -0.560 24.6-170.1 -81.1 149.4 85.0 88.2 -67.6 83 120 A M >> - 0 0 56 -2,-0.2 4,-1.3 -13,-0.2 3,-1.3 -0.818 39.3 -95.8-132.5 173.1 83.8 91.7 -68.2 84 121 A P H 3> S+ 0 0 20 0, 0.0 4,-2.1 0, 0.0 3,-0.3 0.948 121.8 58.5 -55.8 -47.1 82.5 94.6 -66.2 85 122 A K H 3> S+ 0 0 87 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.691 100.3 58.5 -56.9 -20.3 78.9 93.5 -66.8 86 123 A D H <> S+ 0 0 0 -3,-1.3 4,-2.7 2,-0.2 -1,-0.2 0.962 108.1 43.1 -72.4 -53.5 79.6 90.2 -65.3 87 124 A I H X S+ 0 0 2 -4,-1.3 4,-2.5 -3,-0.3 5,-0.3 0.979 113.2 52.2 -52.1 -63.9 80.7 91.7 -61.9 88 125 A Q H X S+ 0 0 64 -4,-2.1 4,-3.0 1,-0.3 -1,-0.2 0.845 110.9 49.4 -39.7 -46.5 77.8 94.1 -61.9 89 126 A L H X S+ 0 0 16 -4,-1.4 4,-2.2 -5,-0.3 -1,-0.3 0.942 109.9 48.6 -62.7 -50.1 75.4 91.1 -62.6 90 127 A A H X S+ 0 0 0 -4,-2.7 4,-0.8 -3,-0.2 -1,-0.2 0.822 115.2 47.1 -61.7 -29.5 76.9 89.0 -59.8 91 128 A R H X>S+ 0 0 39 -4,-2.5 4,-1.8 -5,-0.2 5,-1.3 0.934 108.2 52.4 -78.7 -46.0 76.6 92.0 -57.4 92 129 A R H ><5S+ 0 0 44 -4,-3.0 3,-0.6 -5,-0.3 5,-0.2 0.950 114.2 44.3 -51.2 -52.0 73.0 93.0 -58.4 93 130 A I H 3<5S+ 0 0 6 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.725 109.3 56.7 -64.6 -26.0 71.9 89.4 -57.7 94 131 A R H 3<5S- 0 0 59 -4,-0.8 -1,-0.2 -3,-0.4 -2,-0.2 0.766 115.5-116.7 -76.0 -27.6 73.9 89.2 -54.5 95 132 A G T <<5S+ 0 0 50 -4,-1.8 -3,-0.2 -3,-0.6 -2,-0.1 0.355 86.5 114.9 106.7 -3.5 72.0 92.3 -53.2 96 133 A E S 0 0 143 0, 0.0 3,-1.4 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 146.9 96.7 107.9 -56.3 101 25 B N G >> + 0 0 39 1,-0.3 3,-3.0 2,-0.2 4,-0.6 0.770 360.0 65.3 -57.2 -35.6 96.5 105.0 -53.8 102 26 B I G >4 S+ 0 0 31 1,-0.3 3,-1.1 2,-0.2 -1,-0.3 0.850 98.8 57.1 -59.7 -28.7 93.6 103.1 -55.4 103 27 B Q G <4 S+ 0 0 85 -3,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.484 87.8 80.1 -78.1 -0.3 96.0 102.6 -58.3 104 28 B G G <4 S+ 0 0 12 -3,-3.0 2,-1.3 -75,-0.2 -1,-0.3 0.842 72.5 78.2 -70.5 -37.0 98.2 101.0 -55.7 105 29 B I S << S- 0 0 1 -3,-1.1 2,-0.1 -4,-0.6 -80,-0.1 -0.688 91.6-151.3 -72.9 104.0 96.0 97.9 -56.1 106 30 B T >> - 0 0 50 -2,-1.3 4,-2.4 1,-0.1 3,-1.1 -0.441 22.8-109.6 -86.6 156.9 97.9 97.1 -59.3 107 31 B K H 3> S+ 0 0 102 1,-0.3 4,-3.2 2,-0.2 5,-0.2 0.916 118.7 52.1 -47.2 -53.1 96.7 95.2 -62.4 108 32 B P H 3> S+ 0 0 57 0, 0.0 4,-1.3 0, 0.0 -1,-0.3 0.767 108.8 51.1 -57.5 -29.1 98.9 92.2 -61.6 109 33 B A H X> S+ 0 0 0 -3,-1.1 4,-2.5 2,-0.2 3,-0.7 0.974 112.3 45.0 -70.5 -55.8 97.5 92.0 -58.1 110 34 B I H 3X S+ 0 0 1 -4,-2.4 4,-2.0 1,-0.3 5,-0.3 0.901 111.3 55.4 -51.3 -43.9 93.9 92.0 -59.4 111 35 B R H 3X S+ 0 0 89 -4,-3.2 4,-1.6 -5,-0.3 -1,-0.3 0.856 108.8 47.7 -59.1 -36.1 95.1 89.5 -62.0 112 36 B R H X S+ 0 0 0 -4,-2.5 4,-1.0 2,-0.2 3,-0.8 0.991 111.1 43.9 -58.6 -70.8 93.1 87.6 -57.2 114 38 B A H ><>S+ 0 0 0 -4,-2.0 3,-1.6 1,-0.3 5,-1.1 0.836 107.9 60.4 -40.2 -49.1 90.8 86.6 -60.1 115 39 B R H ><5S+ 0 0 17 -4,-1.6 3,-4.7 1,-0.3 -1,-0.3 0.951 100.9 53.5 -44.9 -57.1 93.2 83.7 -60.9 116 40 B R H <<5S+ 0 0 12 -4,-2.0 -1,-0.3 -3,-0.8 -2,-0.2 0.784 106.5 55.3 -50.0 -24.8 92.6 82.3 -57.5 117 41 B G T <<5S- 0 0 8 -3,-1.6 -1,-0.3 -4,-1.0 -2,-0.2 0.486 126.6-106.4 -88.3 -2.6 89.0 82.5 -58.4 118 42 B G T < 5 + 0 0 3 -3,-4.7 2,-0.4 -4,-0.4 545,-0.3 0.880 60.3 164.0 81.9 37.0 89.7 80.5 -61.5 119 43 B V < - 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0 0 70 -2,-0.7 -1,-0.2 3,-0.1 0, 0.0 0.947 11.8-113.0 -31.5-173.4 84.2 68.6 -11.1 568 17 G R S > S+ 0 0 80 3,-0.1 4,-1.9 2,-0.1 5,-0.1 0.751 116.9 42.0 -94.4 -46.0 81.5 69.7 -13.5 569 18 G S H >>S+ 0 0 24 1,-0.2 5,-2.5 2,-0.2 4,-0.9 0.966 118.5 44.1 -66.1 -52.7 83.4 68.9 -16.6 570 19 G S H 45S+ 0 0 43 3,-0.2 -1,-0.2 1,-0.2 -2,-0.1 0.832 112.0 56.3 -62.3 -30.5 84.8 65.6 -15.3 571 20 G R H 45S+ 0 0 71 1,-0.2 -1,-0.2 2,-0.1 -2,-0.2 0.912 112.2 39.1 -67.1 -43.9 81.4 64.7 -14.0 572 21 G A H <5S- 0 0 2 -4,-1.9 -1,-0.2 -3,-0.1 -2,-0.2 0.514 118.0-116.6 -82.3 -5.8 79.7 65.2 -17.4 573 22 G G T <5 + 0 0 38 -4,-0.9 2,-0.3 1,-0.2 -3,-0.2 0.899 65.7 137.8 73.0 45.0 82.7 63.5 -18.9 574 23 G L < - 0 0 15 -5,-2.5 -1,-0.2 2,-0.1 4,-0.1 -0.784 56.2-150.0-123.0 164.1 83.9 66.5 -21.0 575 24 G Q S S+ 0 0 57 -2,-0.3 107,-0.1 28,-0.1 -1,-0.1 0.525 81.1 86.9-100.7 -16.8 87.2 68.2 -22.0 576 25 G F S S- 0 0 0 -7,-0.1 2,-0.8 1,-0.1 -2,-0.1 -0.735 94.5-101.1 -91.1 135.1 85.4 71.5 -22.3 577 26 G P > - 0 0 9 0, 0.0 4,-2.6 0, 0.0 5,-0.2 -0.371 33.2-175.9 -56.7 93.9 84.9 73.8 -19.2 578 27 G V H > S+ 0 0 0 -2,-0.8 4,-1.9 1,-0.2 5,-0.1 0.843 87.5 50.3 -62.1 -32.6 81.3 73.3 -18.0 579 28 G G H > S+ 0 0 31 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.905 111.3 46.8 -72.4 -39.6 81.9 75.9 -15.4 580 29 G R H > S+ 0 0 38 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.858 111.3 51.1 -68.8 -38.4 83.3 78.4 -17.9 581 30 G V H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.926 110.2 49.9 -65.1 -42.5 80.5 77.8 -20.3 582 31 G H H X S+ 0 0 12 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.860 111.0 49.4 -64.8 -34.5 78.0 78.4 -17.5 583 32 G R H X S+ 0 0 88 -4,-1.8 4,-1.5 1,-0.2 -1,-0.2 0.777 110.6 50.6 -75.2 -24.8 79.8 81.6 -16.5 584 33 G L H < S+ 0 0 46 -4,-1.6 4,-0.2 2,-0.2 -2,-0.2 0.853 107.8 53.7 -79.0 -33.4 79.7 82.8 -20.1 585 34 G L H ><>S+ 0 0 3 -4,-2.1 3,-1.2 2,-0.2 5,-0.8 0.945 110.7 44.5 -65.9 -48.4 76.0 82.1 -20.4 586 35 G R H ><5S+ 0 0 120 -4,-1.9 3,-1.6 1,-0.2 5,-0.3 0.974 114.4 48.5 -58.4 -55.6 75.0 84.1 -17.4 587 36 G K T 3<5S+ 0 0 143 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.319 98.7 68.1 -70.8 7.9 77.2 87.1 -18.2 588 37 G G T < 5S- 0 0 11 -3,-1.2 -1,-0.3 -4,-0.2 -2,-0.2 0.476 102.7-124.0-104.1 -4.0 76.1 87.3 -21.8 589 38 G N T < 5 + 0 0 16 -3,-1.6 -3,-0.1 -4,-0.3 -2,-0.1 0.900 64.1 140.2 61.4 46.7 72.6 88.4 -20.9 590 39 G Y S - 0 0 21 -2,-0.6 3,-0.5 1,-0.1 133,-0.0 0.065 22.2-118.2 -46.4 163.9 69.4 76.0 -15.7 596 45 G A T 3> S+ 0 0 51 1,-0.2 4,-1.1 2,-0.1 -1,-0.1 0.828 109.8 67.0 -78.6 -26.3 72.3 73.8 -14.8 597 46 G G H 3> S+ 0 0 22 1,-0.2 4,-1.0 2,-0.1 -1,-0.2 0.535 90.1 65.4 -73.8 -1.3 71.4 71.6 -17.8 598 47 G A H <> S+ 0 0 0 -3,-0.5 4,-2.6 2,-0.2 5,-0.3 0.978 97.2 44.1 -86.7 -56.3 72.3 74.1 -20.3 599 48 G P H > S+ 0 0 0 0, 0.0 4,-3.9 0, 0.0 5,-0.2 0.893 113.7 53.1 -56.5 -40.2 76.0 74.7 -20.0 600 49 G V H X S+ 0 0 0 -4,-1.1 4,-3.4 2,-0.2 5,-0.2 0.964 113.6 40.8 -55.3 -59.2 76.7 70.9 -19.8 601 50 G Y H X S+ 0 0 5 -4,-1.0 4,-2.5 2,-0.2 5,-0.2 0.959 119.5 45.7 -50.7 -61.4 74.8 70.1 -23.0 602 51 G L H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.906 112.5 50.9 -51.2 -49.1 76.1 73.2 -24.7 603 52 G A H X S+ 0 0 0 -4,-3.9 4,-2.2 -5,-0.3 -1,-0.2 0.948 111.1 48.7 -56.4 -49.5 79.6 72.4 -23.5 604 53 G A H X S+ 0 0 1 -4,-3.4 4,-2.4 1,-0.2 -1,-0.2 0.857 111.0 51.4 -57.8 -37.5 79.3 68.9 -24.8 605 54 G V H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.846 108.6 50.2 -70.4 -35.1 78.0 70.2 -28.1 606 55 G L H X S+ 0 0 2 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.873 111.6 48.4 -71.4 -36.3 80.9 72.6 -28.5 607 56 G E H >X S+ 0 0 26 -4,-2.2 4,-2.6 -5,-0.2 3,-0.6 0.991 109.7 51.0 -65.5 -58.9 83.4 69.8 -27.8 608 57 G Y H 3X S+ 0 0 29 -4,-2.4 4,-3.2 1,-0.3 -2,-0.2 0.897 111.7 47.7 -42.5 -55.5 81.9 67.4 -30.2 609 58 G L H 3X S+ 0 0 0 -4,-1.9 4,-2.0 1,-0.2 -1,-0.3 0.843 112.4 49.5 -57.8 -36.7 81.9 70.0 -33.0 610 59 G T H <>S+ 0 0 0 -4,-1.7 3,-2.0 2,-0.2 5,-1.9 0.899 108.0 54.8 -67.5 -42.5 97.3 67.5 -43.0 622 71 G R H ><5S+ 0 0 191 -4,-1.5 3,-3.2 1,-0.3 -2,-0.2 0.968 102.2 59.7 -54.5 -49.6 98.2 63.8 -43.1 623 72 G D T 3<5S+ 0 0 113 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.585 107.7 45.9 -55.8 -10.3 97.2 63.9 -46.8 624 73 G N T < 5S- 0 0 74 -3,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.116 119.1-108.4-119.4 19.2 99.9 66.5 -47.3 625 74 G K T < 5S+ 0 0 190 -3,-3.2 2,-0.3 1,-0.2 -3,-0.2 0.893 79.0 124.8 55.7 46.7 102.6 64.7 -45.4 626 75 G K < - 0 0 112 -5,-1.9 -2,-0.2 1,-0.1 -1,-0.2 -0.984 50.0-159.9-135.2 144.8 102.4 67.2 -42.5 627 76 G T S S+ 0 0 101 -2,-0.3 65,-3.3 1,-0.1 2,-0.5 0.590 73.9 71.9 -99.2 -12.6 101.9 66.6 -38.7 628 77 G R E S-j 692 0J 151 63,-0.2 65,-0.3 -7,-0.1 2,-0.2 -0.927 75.4-133.2-113.8 123.1 100.8 70.2 -37.8 629 78 G I E +j 693 0J 0 63,-1.6 65,-2.1 -2,-0.5 68,-0.2 -0.477 28.0 175.0 -73.8 133.8 97.5 71.7 -38.7 630 79 G I >> - 0 0 48 -2,-0.2 4,-1.4 63,-0.2 3,-1.2 -0.739 50.6 -85.6-127.0 176.3 97.3 75.2 -40.2 631 80 G P H >> S+ 0 0 7 0, 0.0 4,-2.3 0, 0.0 3,-1.2 0.934 125.3 61.3 -45.1 -52.4 94.6 77.4 -41.6 632 81 G R H 3> S+ 0 0 30 23,-0.4 4,-1.8 1,-0.3 5,-0.1 0.808 105.8 46.9 -45.9 -38.9 95.1 75.8 -45.0 633 82 G H H <> S+ 0 0 3 -3,-1.2 4,-0.6 2,-0.2 -1,-0.3 0.768 108.7 51.8 -79.3 -27.2 94.1 72.4 -43.5 634 83 G L H < S+ 0 0 1 -4,-1.8 3,-0.9 1,-0.2 7,-0.6 0.878 116.4 46.4 -81.8 -42.6 85.5 72.6 -43.8 639 88 G R T 3< S+ 0 0 49 -4,-3.0 -1,-0.2 1,-0.2 -3,-0.1 0.536 111.1 55.0 -79.7 -4.4 84.8 73.4 -47.5 640 89 G N T 3 S+ 0 0 109 -5,-0.3 2,-0.5 -4,-0.2 -1,-0.2 0.438 93.9 75.1-105.0 -3.7 85.0 69.7 -48.4 641 90 G D S <> S- 0 0 45 -3,-0.9 4,-1.5 1,-0.2 5,-0.2 -0.930 75.0-144.6-106.8 132.3 82.4 68.5 -45.9 642 91 G E H > S+ 0 0 167 -2,-0.5 4,-1.0 2,-0.1 -1,-0.2 0.960 93.3 44.5 -62.1 -49.7 78.9 69.3 -47.0 643 92 G E H >> S+ 0 0 39 2,-0.2 4,-2.3 1,-0.2 3,-0.8 0.941 113.9 43.1 -63.3 -55.2 77.5 70.0 -43.5 644 93 G L H 3> S+ 0 0 0 1,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.935 109.2 59.8 -58.2 -44.5 80.2 72.1 -41.9 645 94 G N H 3< S+ 0 0 54 -4,-1.5 -1,-0.3 -7,-0.6 -2,-0.2 0.822 108.3 46.0 -52.7 -31.8 80.5 74.2 -45.1 646 95 G K H X< S+ 0 0 148 -4,-1.0 3,-2.0 -3,-0.8 -1,-0.3 0.937 110.7 52.3 -75.5 -47.3 76.9 75.0 -44.7 647 96 G L H 3< S+ 0 0 9 -4,-2.3 -2,-0.2 1,-0.3 3,-0.2 0.774 121.6 32.0 -59.3 -30.7 77.4 75.8 -40.9 648 97 G L T >< S+ 0 0 2 -4,-2.7 3,-1.5 -5,-0.2 -1,-0.3 -0.138 82.2 132.6-117.6 35.9 80.2 78.1 -41.7 649 98 G G T < S+ 0 0 48 -3,-2.0 -1,-0.1 1,-0.3 -2,-0.1 0.762 78.6 35.7 -59.5 -27.6 78.8 79.2 -45.0 650 99 G R T 3 S+ 0 0 177 -4,-0.2 2,-0.3 -3,-0.2 -1,-0.3 0.215 98.7 107.6-111.5 16.3 79.3 82.9 -44.4 651 100 G V < - 0 0 4 -3,-1.5 2,-0.6 -6,-0.2 -478,-0.2 -0.745 53.7-153.7 -99.5 139.8 82.6 82.5 -42.5 652 101 G T E -c 173 0C 20 -480,-2.0 -478,-2.9 -2,-0.3 2,-0.8 -0.940 5.4-154.7-116.2 115.1 86.0 83.4 -43.7 653 102 G I E > -c 174 0C 10 -2,-0.6 3,-0.8 -480,-0.2 4,-0.2 -0.775 28.8-120.4 -87.3 109.4 89.0 81.5 -42.2 654 103 G A T 3 S+ 0 0 8 -480,-2.2 46,-0.1 -2,-0.8 -600,-0.0 -0.165 92.4 10.7 -53.6 135.9 92.0 83.7 -42.6 655 104 G Q T 3 S+ 0 0 46 -634,-0.1 -23,-0.4 -24,-0.1 -1,-0.2 0.893 92.4 123.1 63.0 41.4 94.9 82.2 -44.6 656 105 G G < - 0 0 3 -3,-0.8 -2,-0.1 -25,-0.1 -20,-0.1 0.553 49.6-160.2-108.7 -11.5 92.7 79.4 -45.8 657 106 G G - 0 0 16 -636,-0.3 2,-0.3 -4,-0.2 -1,-0.1 -0.107 28.9 -74.4 61.6-165.7 92.9 79.8 -49.6 658 107 G V - 0 0 23 -640,-0.4 -22,-0.1 -638,-0.3 3,-0.1 -0.914 45.3 -92.9-130.1 156.0 90.3 78.2 -51.9 659 108 G L - 0 0 47 -2,-0.3 2,-0.4 1,-0.1 -640,-0.1 -0.363 50.3 -99.5 -66.5 146.6 89.6 74.6 -53.0 660 109 G P + 0 0 85 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.528 64.0 146.5 -68.6 123.6 91.3 73.6 -56.3 661 110 G N - 0 0 94 -2,-0.4 2,-0.5 -647,-0.1 -2,-0.0 -0.813 26.8-175.6-165.9 120.0 88.7 73.9 -59.0 662 111 G I - 0 0 29 -2,-0.3 4,-0.1 -647,-0.0 5,-0.1 -0.980 38.3-111.1-121.2 122.1 88.7 74.9 -62.6 663 112 G Q > - 0 0 42 -2,-0.5 3,-1.7 -545,-0.3 4,-0.5 -0.283 26.5-131.1 -50.8 123.0 85.5 75.2 -64.6 664 113 G S G > S+ 0 0 95 1,-0.3 3,-2.4 2,-0.2 2,-0.6 0.880 104.8 62.6 -44.5 -51.6 85.5 72.3 -67.1 665 114 G V G 3 S+ 0 0 92 1,-0.3 -1,-0.3 4,-0.0 -2,-0.1 0.206 101.5 56.4 -66.0 22.8 84.6 74.6 -70.0 666 115 G L G < S+ 0 0 1 -3,-1.7 -1,-0.3 -2,-0.6 -2,-0.2 0.485 83.2 99.6-124.6 -16.9 87.9 76.3 -69.3 667 116 G L S < S- 0 0 75 -3,-2.4 -4,-0.0 -4,-0.5 -3,-0.0 -0.182 89.7 -69.1 -66.0 165.8 90.2 73.3 -69.6 668 117 G P - 0 0 72 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.130 40.8-115.8 -57.7 152.7 92.2 72.7 -72.9 669 118 G K 0 0 203 -3,-0.1 -2,-0.1 1,-0.1 -4,-0.0 0.756 360.0 360.0 -59.3 -29.4 90.3 71.7 -76.1 670 119 G K 0 0 230 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.163 360.0 360.0 53.8 360.0 92.2 68.3 -76.1 671 !* 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 0.0 672 30 H R 0 0 262 0, 0.0 2,-0.7 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 153.7 93.5 87.7 -18.3 673 31 H K - 0 0 182 2,-0.0 0, 0.0 0, 0.0 0, 0.0 -0.751 360.0-158.6-111.3 83.3 92.6 86.9 -21.9 674 32 H E + 0 0 57 -2,-0.7 2,-0.3 2,-0.0 0, 0.0 -0.040 21.1 156.2 -53.9 161.9 90.5 83.7 -21.7 675 33 H S - 0 0 40 1,-0.0 3,-0.4 31,-0.0 4,-0.1 -0.926 52.2-107.8 179.8 162.9 90.2 81.4 -24.8 676 34 H Y S >> S+ 0 0 4 -2,-0.3 4,-1.9 1,-0.2 3,-1.7 0.447 80.2 112.3 -83.6 1.7 89.5 77.9 -25.8 677 35 H A H >> S+ 0 0 27 1,-0.3 4,-1.6 2,-0.2 3,-0.9 0.869 77.1 47.1 -33.9 -65.2 93.0 77.2 -26.9 678 36 H I H 3> S+ 0 0 95 -3,-0.4 4,-0.6 1,-0.3 -1,-0.3 0.593 113.1 44.6 -64.7 -17.9 93.6 74.7 -24.1 679 37 H Y H <> S+ 0 0 37 -3,-1.7 4,-1.0 2,-0.2 -1,-0.3 0.565 108.7 59.6 -99.0 -14.2 90.5 72.6 -24.4 680 38 H V H X S+ 0 0 1 -4,-1.0 3,-2.0 2,-0.2 4,-1.8 0.919 107.9 60.2 -77.1 -50.4 90.4 67.2 -27.8 684 42 H L H 3X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.3 7,-0.2 0.843 105.8 51.7 -45.4 -37.1 93.0 67.5 -30.6 685 43 H K H 3< S+ 0 0 60 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.687 104.3 52.6 -78.6 -19.8 94.9 64.8 -28.8 686 44 H Q H <4 S+ 0 0 118 -3,-2.0 -1,-0.2 -4,-0.4 -2,-0.2 0.770 118.1 38.6 -83.8 -27.0 92.1 62.3 -28.4 687 45 H V H < S+ 0 0 38 -4,-1.8 -2,-0.2 1,-0.2 -3,-0.1 0.944 138.4 9.1 -84.1 -59.4 91.4 62.4 -32.1 688 46 H H >< - 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