==== 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 HYDROLASE 29-APR-09 3H8J . COMPND 2 MOLECULE: RIBONUCLEASE H; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR S.J.TOMANICEK,T.C.MUESER . 297 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15276.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 215 72.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 6.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 2.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 24 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 119 40.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.7 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 2 1 0 0 0 3 0 1 2 0 2 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 2 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 . 2 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 9 A E 0 0 219 0, 0.0 2,-0.1 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 151.3 -3.3 -17.2 34.0 2 10 A D - 0 0 96 2,-0.2 4,-0.1 1,-0.1 3,-0.1 -0.444 360.0-124.0 -92.4 155.2 -4.8 -13.8 35.1 3 11 A Y S S+ 0 0 228 1,-0.3 2,-1.0 -2,-0.1 -1,-0.1 0.920 117.2 46.5 -59.5 -47.5 -8.4 -12.4 34.9 4 12 A K S S- 0 0 93 134,-0.2 136,-0.5 3,-0.0 -1,-0.3 -0.863 108.6-136.7 -89.3 98.5 -7.0 -9.5 33.0 5 13 A E - 0 0 68 -2,-1.0 2,-0.2 134,-0.1 -2,-0.1 -0.068 13.5-100.2 -62.1 155.4 -4.9 -11.7 30.6 6 14 A G - 0 0 6 48,-0.4 51,-1.7 133,-0.2 50,-0.9 -0.558 39.4-150.4 -71.1 137.8 -1.4 -10.9 29.6 7 15 A I E -ab 57 141A 2 133,-2.6 135,-2.4 -2,-0.2 2,-0.6 -0.945 4.7-152.7-118.5 133.6 -1.2 -9.4 26.1 8 16 A C E -ab 58 142A 0 49,-3.4 51,-3.0 -2,-0.4 2,-0.6 -0.919 4.9-165.4-107.6 120.2 1.6 -9.8 23.6 9 17 A L E -ab 59 143A 0 133,-2.5 135,-2.4 -2,-0.6 2,-0.5 -0.924 11.5-156.6-101.7 119.1 2.2 -7.0 21.0 10 18 A I E -ab 60 144A 1 49,-2.8 51,-2.7 -2,-0.6 2,-2.2 -0.859 18.0-144.6-102.6 125.8 4.5 -8.2 18.2 11 19 A D E > +a 61 0A 10 133,-3.1 4,-1.0 -2,-0.5 135,-0.3 -0.574 44.1 164.9 -78.5 73.0 6.5 -5.6 16.2 12 20 A F H > + 0 0 2 -2,-2.2 4,-2.6 49,-1.0 5,-0.2 0.825 51.1 58.8 -80.4 -38.6 5.8 -8.0 13.3 13 21 A S H > S+ 0 0 23 48,-1.1 4,-2.5 1,-0.2 -1,-0.2 0.903 108.2 49.6 -58.2 -40.8 6.5 -6.3 10.0 14 22 A Q H > S+ 0 0 81 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.881 110.4 50.7 -67.3 -37.2 10.1 -5.6 11.0 15 23 A I H X S+ 0 0 11 -4,-1.0 4,-2.0 2,-0.2 -2,-0.2 0.945 113.1 44.5 -63.9 -48.3 10.6 -9.3 12.1 16 24 A A H X S+ 0 0 2 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.925 115.0 48.5 -61.9 -45.5 9.3 -10.6 8.8 17 25 A L H X S+ 0 0 13 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.904 109.5 51.5 -64.9 -42.4 11.3 -8.1 6.7 18 26 A S H X S+ 0 0 33 -4,-2.3 4,-0.7 1,-0.2 -1,-0.2 0.914 113.2 45.9 -60.8 -41.8 14.5 -8.8 8.5 19 27 A T H >X S+ 0 0 49 -4,-2.0 4,-2.8 1,-0.2 3,-0.8 0.902 111.6 52.3 -66.2 -40.3 14.1 -12.5 8.0 20 28 A A H 3X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.863 102.6 58.0 -64.0 -38.2 13.1 -11.9 4.3 21 29 A L H 3< S+ 0 0 80 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.709 115.0 38.6 -67.6 -19.2 16.3 -9.9 3.7 22 30 A V H << S+ 0 0 118 -3,-0.8 -2,-0.2 -4,-0.7 -1,-0.2 0.835 121.6 41.1 -91.0 -44.1 18.3 -12.9 4.8 23 31 A N H < S+ 0 0 100 -4,-2.8 -3,-0.2 -5,-0.1 -2,-0.2 0.816 103.2 67.9 -79.4 -34.6 16.2 -15.7 3.2 24 32 A F S < S- 0 0 21 -4,-2.7 -1,-0.1 -5,-0.2 6,-0.1 -0.807 79.3-132.9 -96.2 123.1 15.3 -14.2 -0.2 25 33 A P - 0 0 66 0, 0.0 3,-0.5 0, 0.0 67,-0.3 -0.321 24.8-101.1 -67.9 149.0 18.2 -13.7 -2.7 26 34 A D S S+ 0 0 93 1,-0.2 65,-0.2 65,-0.1 3,-0.1 -0.201 102.0 27.9 -54.0 158.5 18.9 -10.6 -4.7 27 35 A K S S+ 0 0 171 63,-1.6 2,-0.3 1,-0.1 -1,-0.2 0.832 95.2 107.5 52.4 43.7 17.8 -10.5 -8.3 28 36 A E S S- 0 0 93 -3,-0.5 64,-0.4 62,-0.3 -1,-0.1 -0.972 76.2-106.1-146.5 135.4 14.9 -13.0 -8.0 29 37 A K - 0 0 147 -2,-0.3 2,-0.7 1,-0.1 62,-0.0 -0.394 29.8-139.8 -60.8 129.8 11.2 -12.4 -8.1 30 38 A I - 0 0 2 62,-0.2 69,-0.2 -2,-0.1 2,-0.1 -0.852 28.2-163.7 -96.0 113.4 9.7 -12.6 -4.6 31 39 A N > - 0 0 53 -2,-0.7 4,-2.1 1,-0.1 5,-0.2 -0.421 31.5-102.0-102.7 170.9 6.3 -14.4 -4.9 32 40 A L H > S+ 0 0 47 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.870 118.0 49.2 -57.4 -44.0 3.2 -14.8 -2.8 33 41 A S H > S+ 0 0 51 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.914 109.1 52.4 -66.1 -42.1 4.0 -18.4 -1.7 34 42 A M H > S+ 0 0 40 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.945 114.5 42.8 -54.9 -48.8 7.5 -17.4 -0.6 35 43 A V H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.878 112.5 52.9 -70.3 -37.0 6.2 -14.6 1.5 36 44 A R H X S+ 0 0 27 -4,-2.5 4,-2.5 -5,-0.2 5,-0.3 0.937 110.4 47.2 -63.5 -47.4 3.3 -16.6 2.9 37 45 A H H X S+ 0 0 71 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.930 113.9 47.9 -57.3 -48.4 5.6 -19.4 4.1 38 46 A L H X S+ 0 0 11 -4,-2.1 4,-2.3 -5,-0.3 -2,-0.2 0.932 113.0 47.4 -62.0 -45.6 8.0 -16.9 5.7 39 47 A I H X S+ 0 0 3 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.932 115.0 44.7 -63.3 -45.4 5.3 -15.0 7.5 40 48 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 -5,-0.2 -1,-0.2 0.899 112.7 51.3 -69.2 -38.3 3.5 -18.1 8.8 41 49 A N H X S+ 0 0 78 -4,-2.6 4,-1.9 -5,-0.3 -1,-0.2 0.914 111.8 48.2 -60.7 -41.4 6.8 -19.7 9.9 42 50 A S H X S+ 0 0 13 -4,-2.3 4,-2.3 -5,-0.2 5,-0.2 0.902 110.7 50.3 -68.4 -41.7 7.8 -16.5 11.7 43 51 A I H X S+ 0 0 2 -4,-2.5 4,-2.6 1,-0.2 5,-0.3 0.927 107.9 53.9 -59.0 -45.4 4.4 -16.3 13.4 44 52 A K H X S+ 0 0 55 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.915 111.3 45.8 -57.0 -45.2 4.7 -19.9 14.6 45 53 A F H X S+ 0 0 109 -4,-1.9 4,-1.4 1,-0.2 -1,-0.2 0.933 117.0 41.5 -63.9 -48.7 8.0 -19.2 16.2 46 54 A N H X S+ 0 0 3 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.760 110.9 55.3 -78.9 -25.1 7.1 -16.0 17.9 47 55 A V H X S+ 0 0 0 -4,-2.6 4,-2.8 -5,-0.2 5,-0.2 0.910 106.3 51.7 -69.6 -43.3 3.7 -17.1 19.1 48 56 A K H X S+ 0 0 140 -4,-1.6 4,-2.2 -5,-0.3 5,-0.2 0.910 108.8 53.3 -57.5 -40.1 5.2 -20.1 20.9 49 57 A K H X S+ 0 0 57 -4,-1.4 4,-1.7 1,-0.2 -1,-0.2 0.937 110.3 45.4 -60.3 -47.9 7.6 -17.6 22.5 50 58 A A H X>S+ 0 0 0 -4,-1.9 5,-2.7 1,-0.2 4,-0.6 0.928 112.4 51.5 -60.8 -46.8 4.7 -15.5 23.8 51 59 A K H ><5S+ 0 0 86 -4,-2.8 3,-0.6 1,-0.2 -1,-0.2 0.867 109.1 48.8 -63.1 -39.4 2.7 -18.5 25.0 52 60 A T H 3<5S+ 0 0 94 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.864 108.3 53.9 -69.7 -35.2 5.6 -20.0 27.0 53 61 A L H 3<5S- 0 0 59 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.599 127.4-103.0 -73.8 -11.0 6.3 -16.7 28.7 54 62 A G T <<5S+ 0 0 46 -4,-0.6 2,-0.5 -3,-0.6 -48,-0.4 0.657 79.6 128.2 101.1 19.7 2.6 -16.6 29.7 55 63 A Y < + 0 0 19 -5,-2.7 -1,-0.3 -6,-0.1 -48,-0.2 -0.940 23.2 170.5-109.6 123.5 1.0 -14.2 27.3 56 64 A T + 0 0 62 -50,-0.9 2,-0.7 -2,-0.5 -49,-0.2 0.737 55.0 79.7-106.5 -30.5 -2.0 -15.7 25.5 57 65 A K E -a 7 0A 42 -51,-1.7 -49,-3.4 -7,-0.1 2,-0.5 -0.759 68.1-160.3 -84.7 113.3 -3.6 -12.7 23.7 58 66 A I E -a 8 0A 7 -2,-0.7 56,-2.0 54,-0.3 2,-0.5 -0.850 12.8-177.6-102.6 124.5 -1.6 -12.1 20.5 59 67 A V E -ac 9 114A 0 -51,-3.0 -49,-2.8 -2,-0.5 2,-0.7 -0.975 14.0-152.9-120.4 118.6 -1.7 -8.8 18.7 60 68 A L E -ac 10 115A 0 54,-2.3 56,-2.5 -2,-0.5 2,-0.5 -0.815 10.9-154.7 -91.9 114.7 0.3 -8.5 15.4 61 69 A C E -ac 11 116A 0 -51,-2.7 -48,-1.1 -2,-0.7 -49,-1.0 -0.799 13.8-159.1 -96.5 124.8 1.3 -4.9 14.8 62 70 A I - 0 0 5 54,-2.5 2,-0.6 -2,-0.5 56,-0.3 -0.792 18.5-138.7-111.6 139.6 1.9 -4.1 11.2 63 71 A D + 0 0 58 -2,-0.3 2,-0.5 59,-0.2 59,-0.2 -0.863 27.0 179.7 -86.3 119.5 3.8 -1.4 9.3 64 72 A N B +F 121 0B 14 57,-2.0 56,-2.6 -2,-0.6 57,-0.6 -0.866 19.4 154.0-127.1 101.1 1.6 -0.3 6.4 65 73 A A > + 0 0 44 -2,-0.5 3,-1.0 54,-0.2 -1,-0.1 -0.075 29.1 126.8-110.9 30.0 3.1 2.5 4.3 66 74 A K T 3 S+ 0 0 156 1,-0.3 -1,-0.2 2,-0.1 3,-0.1 0.901 92.6 21.1 -54.3 -41.3 1.3 1.6 1.1 67 75 A S T 3 S- 0 0 70 1,-0.3 2,-0.4 -3,-0.2 -1,-0.3 0.107 123.6-102.2-114.2 17.5 0.1 5.2 0.9 68 76 A G < - 0 0 9 -3,-1.0 52,-0.4 53,-0.1 2,-0.3 -0.816 52.2 -49.3 107.1-138.7 2.8 6.7 3.1 69 77 A Y >> - 0 0 31 -2,-0.4 4,-1.5 1,-0.1 3,-0.6 -0.998 27.5-132.6-143.6 141.0 2.6 7.9 6.7 70 78 A W H 3> S+ 0 0 19 50,-2.3 4,-0.8 -2,-0.3 51,-0.1 0.857 114.0 56.7 -60.6 -31.3 0.2 10.1 8.7 71 79 A R H 3> S+ 0 0 7 49,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.805 103.0 53.8 -67.9 -29.2 3.3 11.8 10.0 72 80 A R H <4 S+ 0 0 58 -3,-0.6 -1,-0.2 2,-0.3 -2,-0.2 0.796 99.2 59.8 -77.0 -30.5 4.4 12.5 6.4 73 81 A D H < S+ 0 0 108 -4,-1.5 -1,-0.2 1,-0.2 3,-0.2 0.813 114.9 39.2 -61.8 -27.7 1.0 14.2 5.8 74 82 A F H < S+ 0 0 102 -4,-0.8 2,-0.4 1,-0.3 -2,-0.3 0.849 134.1 20.6 -87.2 -42.3 2.2 16.4 8.6 75 83 A A S >< S- 0 0 6 -4,-2.6 3,-2.4 1,-0.1 -1,-0.3 -0.875 72.2-158.7-133.4 98.2 5.9 16.6 7.6 76 84 A Y T 3 S+ 0 0 111 -2,-0.4 -1,-0.1 1,-0.3 -4,-0.1 0.728 88.5 56.4 -53.6 -29.6 6.3 15.8 3.9 77 85 A Y T > S+ 0 0 4 116,-0.1 3,-2.1 2,-0.1 4,-0.4 0.576 74.9 129.6 -81.5 -12.0 10.0 14.9 4.3 78 86 A Y T < S- 0 0 8 -3,-2.4 115,-0.2 1,-0.3 -6,-0.1 -0.204 87.5 -14.0 -52.1 124.7 9.5 12.2 7.0 79 87 A K T >> S+ 0 0 23 113,-2.5 4,-0.9 1,-0.1 3,-0.6 0.651 91.5 132.3 56.1 21.6 11.2 9.0 6.2 80 88 A K H <> + 0 0 79 -3,-2.1 4,-1.5 1,-0.2 -2,-0.1 0.772 63.2 66.1 -72.2 -23.9 11.8 10.0 2.5 81 89 A N H 3> S+ 0 0 51 -4,-0.4 4,-1.1 1,-0.2 -1,-0.2 0.792 95.8 57.3 -64.7 -29.4 15.4 8.9 2.8 82 90 A R H <> S+ 0 0 78 -3,-0.6 4,-1.4 2,-0.2 3,-0.5 0.941 104.5 47.7 -70.8 -48.9 14.3 5.3 3.2 83 91 A G H X S+ 0 0 33 -4,-0.9 4,-1.9 1,-0.2 -1,-0.2 0.877 105.7 60.9 -59.1 -39.0 12.4 5.0 -0.0 84 92 A K H X S+ 0 0 129 -4,-1.5 4,-0.8 1,-0.2 -1,-0.2 0.898 103.3 52.2 -52.0 -41.7 15.3 6.6 -1.8 85 93 A A H X S+ 0 0 54 -4,-1.1 4,-1.3 -3,-0.5 3,-0.4 0.879 107.3 49.5 -65.9 -41.2 17.4 3.6 -0.7 86 94 A R H < S+ 0 0 77 -4,-1.4 -1,-0.2 1,-0.2 7,-0.2 0.822 97.3 69.2 -71.6 -32.2 15.0 0.9 -2.0 87 95 A E H < S+ 0 0 159 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.886 104.1 44.4 -48.9 -43.2 14.7 2.5 -5.5 88 96 A E H < S+ 0 0 140 -4,-0.8 -1,-0.2 -3,-0.4 -2,-0.2 0.969 92.6 100.9 -68.4 -56.4 18.3 1.6 -6.1 89 97 A S < - 0 0 52 -4,-1.3 4,-0.1 1,-0.1 -3,-0.0 0.307 61.7-146.9 -34.2 149.7 18.3 -2.0 -4.8 90 98 A T + 0 0 69 2,-0.1 -63,-1.6 3,-0.0 -62,-0.3 0.317 69.8 108.1-100.7 3.4 18.1 -5.2 -6.9 91 99 A W S S- 0 0 12 -65,-0.2 2,-2.2 -64,-0.1 3,-0.3 -0.586 86.5-108.7 -76.4 145.2 16.2 -7.0 -4.2 92 100 A D > + 0 0 35 -64,-0.4 4,-2.5 -67,-0.3 -62,-0.2 -0.379 55.6 155.5 -81.9 66.4 12.5 -7.4 -5.2 93 101 A W H > S+ 0 0 38 -2,-2.2 4,-2.9 1,-0.2 5,-0.3 0.885 72.5 55.0 -54.6 -44.0 10.9 -4.9 -2.8 94 102 A E H > S+ 0 0 154 -3,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.926 111.0 44.0 -58.3 -47.4 7.9 -4.4 -5.0 95 103 A G H > S+ 0 0 6 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.895 113.2 52.4 -64.9 -41.9 7.2 -8.2 -5.0 96 104 A Y H X S+ 0 0 10 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.947 113.7 41.3 -59.0 -51.6 7.8 -8.4 -1.3 97 105 A F H X S+ 0 0 71 -4,-2.9 4,-2.3 2,-0.2 5,-0.2 0.922 114.2 52.0 -65.2 -44.1 5.4 -5.6 -0.4 98 106 A E H X S+ 0 0 102 -4,-2.4 4,-1.2 -5,-0.3 -1,-0.2 0.926 115.7 41.6 -58.3 -45.3 2.7 -6.7 -2.9 99 107 A S H X S+ 0 0 4 -4,-2.4 4,-2.3 -69,-0.2 -1,-0.2 0.873 110.6 56.1 -70.7 -39.5 2.8 -10.2 -1.5 100 108 A S H X S+ 0 0 15 -4,-2.7 4,-2.8 -5,-0.2 -2,-0.2 0.902 104.7 53.0 -62.7 -39.4 3.0 -9.2 2.2 101 109 A H H X S+ 0 0 43 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.902 109.4 49.4 -62.1 -39.8 -0.2 -7.1 1.8 102 110 A K H X S+ 0 0 92 -4,-1.2 4,-1.4 -5,-0.2 -1,-0.2 0.913 112.3 47.1 -63.6 -44.9 -2.0 -10.1 0.4 103 111 A V H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.908 107.5 56.9 -65.8 -40.3 -0.8 -12.4 3.2 104 112 A I H X S+ 0 0 9 -4,-2.8 4,-2.0 1,-0.3 -1,-0.2 0.906 106.3 49.9 -57.2 -42.6 -1.8 -9.8 5.8 105 113 A D H X S+ 0 0 94 -4,-1.8 4,-1.5 1,-0.2 -1,-0.3 0.831 108.6 53.3 -65.8 -31.1 -5.3 -9.8 4.5 106 114 A E H X S+ 0 0 39 -4,-1.4 4,-2.3 2,-0.2 5,-0.4 0.910 106.4 52.3 -67.2 -42.9 -5.3 -13.7 4.7 107 115 A L H X S+ 0 0 0 -4,-2.6 4,-1.8 1,-0.2 6,-0.3 0.908 108.7 51.5 -56.7 -43.0 -4.2 -13.4 8.4 108 116 A K H < S+ 0 0 54 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.848 115.4 41.4 -62.9 -35.5 -7.2 -11.1 9.0 109 117 A A H < S+ 0 0 47 -4,-1.5 -1,-0.2 -5,-0.1 -2,-0.2 0.800 132.1 13.9 -83.4 -29.5 -9.6 -13.5 7.4 110 118 A Y H < S+ 0 0 57 -4,-2.3 -3,-0.2 -5,-0.1 -2,-0.2 0.672 100.0 82.4-124.8 -25.5 -8.3 -16.8 8.8 111 119 A M S < S- 0 0 0 -4,-1.8 2,-0.9 -5,-0.4 4,-0.1 -0.638 71.6-122.1-100.6 152.3 -5.9 -16.6 11.8 112 120 A P S S+ 0 0 26 0, 0.0 2,-0.3 0, 0.0 -54,-0.3 -0.114 76.0 99.5 -86.7 40.9 -6.6 -16.1 15.5 113 121 A Y S S- 0 0 5 -2,-0.9 2,-0.8 -6,-0.3 -54,-0.2 -0.892 78.5-113.6-120.7 152.0 -4.7 -12.9 16.1 114 122 A I E -c 59 0A 9 -56,-2.0 -54,-2.3 -2,-0.3 2,-0.9 -0.790 35.4-156.8 -79.3 112.9 -5.7 -9.2 16.2 115 123 A V E -c 60 0A 0 -2,-0.8 2,-1.3 -56,-0.2 -54,-0.2 -0.815 2.6-157.0 -99.3 101.2 -3.9 -7.9 13.1 116 124 A M E +c 61 0A 0 -56,-2.5 -54,-2.5 -2,-0.9 2,-0.4 -0.651 33.7 149.2 -82.7 96.6 -3.4 -4.2 13.6 117 125 A D + 0 0 11 -2,-1.3 2,-0.4 -56,-0.1 -54,-0.1 -0.962 8.6 155.5-136.9 109.7 -3.0 -3.0 9.9 118 126 A I > - 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0 0 35 -3,-1.0 2,-1.1 -4,-0.5 -3,-0.1 -0.188 51.7-135.5 -56.0 131.6 -11.9 -6.3 15.3 271 279 A K - 0 0 172 -163,-0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.759 19.9-154.6 -90.9 96.7 -13.6 -9.4 13.8 272 280 A L - 0 0 93 -2,-1.1 -158,-0.1 -160,-0.1 -163,-0.1 -0.565 14.7-128.0 -73.8 125.0 -11.6 -12.3 15.3 273 281 A P - 0 0 13 0, 0.0 -163,-0.1 0, 0.0 -1,-0.1 -0.524 25.4-108.0 -72.9 140.6 -11.8 -15.4 13.1 274 282 A P > - 0 0 89 0, 0.0 3,-2.2 0, 0.0 4,-0.3 -0.365 29.9-114.2 -61.1 145.2 -12.8 -18.7 14.7 275 283 A R T >> S+ 0 0 118 1,-0.3 3,-1.3 2,-0.2 4,-0.6 0.668 110.1 77.2 -62.2 -14.9 -9.9 -21.2 15.1 276 284 A G H 3> S+ 0 0 60 1,-0.3 4,-1.0 2,-0.2 -1,-0.3 0.745 83.2 65.9 -64.1 -23.0 -11.7 -23.5 12.6 277 285 A K H <> S+ 0 0 78 -3,-2.2 4,-1.9 1,-0.2 -1,-0.3 0.690 85.5 72.2 -74.2 -19.1 -10.5 -21.2 9.8 278 286 A I H <> S+ 0 0 0 -3,-1.3 4,-2.4 -4,-0.3 -1,-0.2 0.962 98.1 45.0 -62.3 -52.6 -6.9 -22.1 10.4 279 287 A Y H X S+ 0 0 132 -4,-0.6 4,-2.4 1,-0.2 5,-0.2 0.939 113.9 47.8 -57.9 -50.5 -7.1 -25.6 9.0 280 288 A S H X S+ 0 0 49 -4,-1.0 4,-2.5 1,-0.2 -1,-0.2 0.845 111.4 52.7 -63.4 -31.8 -9.1 -24.7 5.9 281 289 A Y H X S+ 0 0 4 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.938 108.8 48.5 -65.7 -47.1 -6.7 -21.8 5.2 282 290 A F H <>S+ 0 0 0 -4,-2.4 5,-2.7 2,-0.2 4,-0.3 0.906 114.2 46.4 -61.8 -42.3 -3.6 -24.0 5.4 283 291 A V H ><5S+ 0 0 74 -4,-2.4 3,-1.5 3,-0.2 -1,-0.2 0.952 112.7 49.4 -63.2 -49.8 -5.3 -26.5 3.0 284 292 A K H 3<5S+ 0 0 170 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.888 113.1 46.8 -57.5 -40.4 -6.4 -23.8 0.6 285 293 A A T 3<5S- 0 0 22 -4,-2.6 -1,-0.3 -5,-0.1 -2,-0.2 0.440 113.2-119.0 -84.5 0.6 -2.9 -22.3 0.6 286 294 A G T < 5 + 0 0 54 -3,-1.5 2,-1.6 -4,-0.3 -3,-0.2 0.768 61.8 149.4 68.0 26.2 -1.3 -25.7 0.1 287 295 A L >>< + 0 0 4 -5,-2.7 3,-1.4 -6,-0.2 4,-0.8 -0.554 10.6 162.0 -86.7 71.3 0.7 -25.5 3.3 288 296 A S T 34 + 0 0 87 -2,-1.6 -1,-0.2 1,-0.3 4,-0.2 0.711 66.9 60.1 -70.8 -20.8 0.6 -29.3 3.8 289 297 A K T 34 S+ 0 0 177 -3,-0.2 -1,-0.3 1,-0.2 3,-0.1 0.657 107.9 47.2 -77.1 -15.1 3.5 -29.3 6.3 290 298 A L T X4 S+ 0 0 14 -3,-1.4 3,-1.7 2,-0.2 -2,-0.2 0.601 86.1 79.7-103.6 -16.7 1.4 -27.0 8.6 291 299 A T T 3< S+ 0 0 38 -4,-0.8 3,-0.3 1,-0.3 -1,-0.2 0.628 94.5 58.2 -65.7 -9.0 -1.9 -28.7 8.6 292 300 A N T 3 S+ 0 0 115 -4,-0.2 -1,-0.3 1,-0.2 3,-0.2 0.665 105.2 47.9 -86.4 -20.6 -0.1 -30.9 11.1 293 301 A S X + 0 0 18 -3,-1.7 3,-2.5 1,-0.2 4,-0.2 -0.010 62.5 129.2-118.6 27.5 0.7 -28.1 13.5 294 302 A I G > S+ 0 0 34 -3,-0.3 3,-1.5 1,-0.3 -1,-0.2 0.837 73.2 61.2 -49.9 -37.5 -2.6 -26.3 13.8 295 303 A N G 3 S+ 0 0 123 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.610 93.7 64.1 -68.3 -14.1 -2.2 -26.4 17.6 296 304 A E G < 0 0 90 -3,-2.5 -1,-0.3 0, 0.0 -2,-0.2 0.407 360.0 360.0 -93.0 2.2 1.0 -24.4 17.4 297 305 A F < 0 0 1 -3,-1.5 -253,-0.1 -4,-0.2 -19,-0.0 -0.744 360.0 360.0-109.6 360.0 -0.8 -21.3 16.1