==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/DNA 07-MAY-03 1P8K . COMPND 2 MOLECULE: 5'- . SOURCE 2 SYNTHETIC: YES; . AUTHOR B.L.STODDARD,J.M.BOLDUC . 254 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13411.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 178 70.1 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 . 40 15.7 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 . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 . 15 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 88 34.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.0 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 0 1 0 0 0 1 1 3 1 1 1 0 0 0 0 0 0 0 0 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 . 2 1 1 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 1 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 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 Z G 0 0 73 0, 0.0 2,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0-168.9 10.6 -12.1 12.7 2 2 Z S > - 0 0 58 1,-0.1 4,-0.6 0, 0.0 5,-0.1 -0.446 360.0-101.5-101.7 178.2 13.6 -9.7 13.2 3 3 Z D T 4 S+ 0 0 119 1,-0.2 3,-0.5 -2,-0.2 4,-0.5 0.962 131.5 36.8 -62.2 -42.5 13.6 -6.1 13.7 4 4 Z L T > S+ 0 0 58 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.543 96.7 72.8 -86.4 -9.0 14.5 -6.4 10.0 5 5 Z T H > S+ 0 0 32 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.708 96.7 58.4 -79.0 -12.1 12.5 -9.3 8.6 6 6 Z Y H X S+ 0 0 62 -4,-0.6 4,-2.1 -3,-0.5 5,-0.3 0.878 99.3 55.1 -76.0 -39.0 9.5 -7.0 8.9 7 7 Z A H > S+ 0 0 0 -4,-0.5 4,-1.4 1,-0.3 -1,-0.2 0.865 105.4 56.3 -59.1 -31.0 11.2 -4.5 6.6 8 8 Z Y H X S+ 0 0 6 -4,-1.0 4,-2.2 1,-0.2 -1,-0.3 0.878 104.1 53.4 -65.6 -38.3 11.4 -7.5 4.3 9 9 Z L H X S+ 0 0 4 -4,-1.0 4,-3.1 2,-0.2 5,-0.3 0.906 105.6 48.3 -67.3 -44.2 7.6 -7.9 4.6 10 10 Z V H X S+ 0 0 0 -4,-2.1 4,-3.0 1,-0.2 5,-0.2 0.884 109.9 58.2 -65.2 -31.3 6.6 -4.4 3.5 11 11 Z G H X S+ 0 0 0 -4,-1.4 4,-1.8 -5,-0.3 -2,-0.2 0.976 109.7 40.7 -56.4 -56.2 9.1 -5.1 0.7 12 12 Z L H X>S+ 0 0 1 -4,-2.2 4,-2.9 1,-0.2 5,-0.6 0.919 117.4 48.9 -57.9 -48.3 7.1 -8.2 -0.4 13 13 Z F H X5S+ 0 0 7 -4,-3.1 4,-1.6 1,-0.2 -1,-0.2 0.865 106.0 56.2 -62.1 -37.5 3.8 -6.5 0.1 14 14 Z E H <5S+ 0 0 1 -4,-3.0 -1,-0.2 -5,-0.3 -2,-0.2 0.927 117.0 36.2 -62.7 -40.5 4.8 -3.4 -1.8 15 15 Z G H <5S+ 0 0 9 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.800 140.1 9.6 -83.2 -29.9 5.6 -5.5 -4.8 16 16 Z D H <5S+ 0 0 57 -4,-2.9 19,-0.7 -5,-0.2 -3,-0.2 0.564 112.9 74.1-126.3 -13.6 2.9 -8.2 -4.6 17 17 Z G E << -A 34 0A 6 -4,-1.6 2,-0.3 -5,-0.6 17,-0.2 -0.016 58.8-153.3 -87.1-163.6 0.4 -7.1 -1.9 18 18 Z Y E -A 33 0A 80 15,-1.1 15,-2.1 2,-0.0 2,-0.4 -0.905 13.7-137.5-172.0 143.7 -2.2 -4.4 -1.9 19 19 Z F E +A 32 0A 17 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.875 34.2 173.1-103.9 138.6 -4.2 -2.1 0.4 20 20 Z S E -A 31 0A 33 11,-2.2 11,-2.1 -2,-0.4 2,-0.5 -0.984 30.8-165.3-154.0 136.5 -7.8 -1.8 -0.3 21 21 Z I E -A 30 0A 14 -2,-0.3 2,-0.2 9,-0.2 9,-0.2 -0.953 34.6-174.4-120.8 103.8 -11.0 -0.3 1.2 22 22 Z T E -A 29 0A 52 7,-2.3 7,-2.0 -2,-0.5 2,-0.3 -0.649 30.8 -95.7-108.8 160.1 -13.9 -1.9 -0.7 23 23 Z K E +A 28 0A 137 -2,-0.2 2,-0.2 5,-0.2 5,-0.2 -0.510 33.8 179.2 -70.1 127.1 -17.7 -1.7 -0.9 24 24 Z K E > -A 27 0A 107 3,-3.8 3,-1.8 -2,-0.3 2,-0.4 -0.615 58.9 -84.6-128.4 69.7 -19.4 -4.2 1.4 25 25 Z G T 3 S- 0 0 46 1,-0.3 -1,-0.3 -2,-0.2 0, 0.0 -0.538 113.4 -2.1 67.3-122.3 -23.1 -3.4 0.8 26 26 Z K T 3 S+ 0 0 156 -2,-0.4 86,-0.7 -3,-0.1 -1,-0.3 0.799 138.6 37.1 -67.9 -32.2 -23.9 -0.5 3.1 27 27 Z Y E < S-AB 24 111A 106 -3,-1.8 -3,-3.8 84,-0.2 2,-0.3 -0.260 82.5 -94.7-112.2-163.4 -20.4 -0.5 4.6 28 28 Z L E -A 23 0A 14 82,-0.6 2,-0.5 -5,-0.2 -5,-0.2 -0.793 11.3-144.4-119.3 158.0 -16.7 -1.0 3.9 29 29 Z T E -A 22 0A 22 -7,-2.0 -7,-2.3 -2,-0.3 2,-0.5 -0.990 16.5-161.2-119.0 121.8 -14.1 -3.8 4.0 30 30 Z Y E +A 21 0A 4 -2,-0.5 2,-0.3 42,-0.4 -9,-0.2 -0.912 27.4 152.2-103.9 132.5 -10.6 -2.7 5.0 31 31 Z E E -A 20 0A 9 -11,-2.1 -11,-2.2 -2,-0.5 2,-0.4 -0.991 41.0-151.5-158.1 167.0 -7.9 -5.1 4.1 32 32 Z L E +AC 19 71A 1 39,-1.4 39,-2.4 -2,-0.3 2,-0.3 -0.987 35.4 167.5-134.1 130.5 -4.3 -5.9 3.2 33 33 Z G E -AC 18 70A 0 -15,-2.1 -15,-1.1 -2,-0.4 2,-0.4 -0.987 30.2-161.7-150.5 161.2 -3.7 -8.9 1.0 34 34 Z I E -AC 17 69A 0 35,-1.4 35,-1.7 -2,-0.3 2,-0.5 -0.992 11.7-166.4-136.6 132.2 -1.2 -10.8 -1.2 35 35 Z E E + C 0 68A 62 -19,-0.7 2,-0.3 -2,-0.4 33,-0.3 -0.991 18.5 172.2-121.7 126.4 -2.4 -13.3 -3.7 36 36 Z L E - C 0 67A 12 31,-3.3 31,-2.8 -2,-0.5 -2,-0.0 -0.821 40.1 -79.8-129.1 169.4 0.3 -15.5 -5.0 37 37 Z S E > - C 0 66A 51 -2,-0.3 3,-2.4 29,-0.2 29,-0.3 -0.303 47.8-108.7 -62.6 153.8 0.6 -18.6 -7.2 38 38 Z I G > S+ 0 0 52 27,-1.7 3,-1.8 1,-0.3 4,-0.3 0.724 113.5 84.1 -56.3 -17.1 -0.1 -21.8 -5.4 39 39 Z K G 3 S+ 0 0 148 1,-0.3 -1,-0.3 26,-0.3 4,-0.1 0.598 91.1 46.8 -62.2 -9.7 3.6 -22.2 -5.8 40 40 Z D G <> + 0 0 23 -3,-2.4 4,-3.0 2,-0.1 -1,-0.3 -0.003 68.0 119.3-122.2 29.2 4.0 -20.1 -2.7 41 41 Z V H <> S+ 0 0 22 -3,-1.8 4,-2.0 1,-0.2 5,-0.2 0.978 81.6 53.0 -54.9 -52.1 1.5 -21.7 -0.3 42 42 Z Q H > S+ 0 0 143 -4,-0.3 4,-1.0 1,-0.2 -1,-0.2 0.902 108.9 47.4 -51.0 -46.7 4.5 -22.4 1.8 43 43 Z L H >> S+ 0 0 1 1,-0.2 4,-1.7 2,-0.2 3,-0.7 0.910 105.5 59.7 -63.4 -39.9 5.6 -18.8 1.8 44 44 Z I H 3X S+ 0 0 0 -4,-3.0 4,-1.8 1,-0.3 -1,-0.2 0.898 106.0 48.2 -55.1 -41.2 2.1 -17.5 2.6 45 45 Z Y H 3X S+ 0 0 102 -4,-2.0 4,-1.7 1,-0.2 -1,-0.3 0.738 105.7 57.0 -73.6 -20.1 2.1 -19.5 5.8 46 46 Z K H S- 0 0 161 1,-0.3 3,-1.9 2,-0.1 2,-1.3 0.926 78.7 -82.5 35.7 76.0 -9.5 -19.0 -11.7 62 62 Z N T 3 S+ 0 0 126 1,-0.3 -1,-0.3 3,-0.0 3,-0.1 -0.054 115.2 18.7 -24.9 -21.8 -9.5 -22.2 -13.3 63 63 Z E T 3 S+ 0 0 166 -2,-1.3 2,-0.7 1,-0.1 -1,-0.3 0.688 114.4 71.7-106.1 -17.3 -6.3 -23.5 -14.4 64 64 Z I S < S- 0 0 100 -3,-1.9 2,-0.2 -4,-0.3 -1,-0.1 -0.748 72.1-153.5 -87.0 116.2 -4.2 -21.2 -12.2 65 65 Z E - 0 0 82 -2,-0.7 -27,-1.7 -3,-0.1 2,-0.3 -0.571 18.6-173.4 -85.1 153.9 -4.3 -22.1 -8.5 66 66 Z X E -CD 37 59A 37 -7,-2.0 -7,-1.7 -29,-0.3 2,-0.4 -0.996 18.4-152.1-148.1 150.0 -3.7 -19.3 -6.1 67 67 Z V E -CD 36 58A 0 -31,-2.8 -31,-3.3 -2,-0.3 2,-0.4 -0.917 14.6-170.0-121.1 150.1 -3.2 -18.6 -2.4 68 68 Z A E -CD 35 57A 5 -11,-1.9 -11,-1.9 -2,-0.4 2,-0.5 -0.999 17.0-155.7-142.6 139.7 -4.0 -15.5 -0.5 69 69 Z L E -CD 34 56A 1 -35,-1.7 -35,-1.4 -2,-0.4 2,-0.4 -0.955 25.4-175.4-109.1 130.7 -3.3 -14.1 2.9 70 70 Z R E -CD 33 55A 67 -15,-2.6 -15,-2.3 -2,-0.5 2,-0.6 -0.953 17.6-168.2-138.9 122.2 -5.9 -11.5 3.9 71 71 Z I E +C 32 0A 4 -39,-2.4 -39,-1.4 -2,-0.4 -2,-0.0 -0.917 26.0 146.1-108.4 116.4 -6.1 -9.3 6.9 72 72 Z R + 0 0 109 -2,-0.6 2,-0.7 -41,-0.2 -42,-0.4 0.488 34.0 112.4-123.6 -12.7 -9.5 -7.4 7.3 73 73 Z D > - 0 0 73 1,-0.2 4,-2.4 -44,-0.1 5,-0.1 -0.557 56.6-153.1 -69.7 110.5 -9.9 -7.3 11.0 74 74 Z K H > S+ 0 0 77 -2,-0.7 4,-3.5 1,-0.2 5,-0.3 0.859 91.7 53.2 -55.1 -42.6 -9.6 -3.6 11.8 75 75 Z N H > S+ 0 0 102 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.946 113.1 44.7 -60.3 -43.8 -8.4 -4.1 15.4 76 76 Z H H >>S+ 0 0 74 2,-0.2 4,-2.6 3,-0.2 5,-1.1 0.850 114.0 50.9 -66.7 -33.1 -5.7 -6.4 14.1 77 77 Z L H X>S+ 0 0 0 -4,-2.4 5,-2.2 3,-0.2 4,-0.8 0.972 116.1 39.4 -67.8 -52.2 -4.9 -3.9 11.3 78 78 Z K H <5S+ 0 0 95 -4,-3.5 -2,-0.2 1,-0.2 -1,-0.2 0.911 122.0 45.2 -61.9 -42.6 -4.6 -1.0 13.6 79 79 Z S H <5S+ 0 0 78 -4,-3.0 -2,-0.2 -5,-0.3 -1,-0.2 0.797 133.3 8.1 -73.8 -32.6 -2.8 -3.1 16.2 80 80 Z F H X5S+ 0 0 101 -4,-2.6 4,-0.9 -5,-0.2 -3,-0.2 0.771 124.7 45.8-120.3 -39.3 -0.3 -4.9 14.0 81 81 Z I H >X S+ 0 0 55 0, 0.0 4,-2.1 0, 0.0 3,-0.3 0.791 106.1 51.7 -36.2 -43.8 2.7 -0.0 13.0 84 84 Z I H S- 0 0 7 1,-0.2 3,-2.1 32,-0.1 4,-0.2 -0.024 103.0 -84.1 -66.0 172.2 7.3 3.7 -4.3 93 93 Z N T > S+ 0 0 11 1,-0.3 3,-0.6 80,-0.3 28,-0.2 0.451 116.0 88.8 -56.4 6.2 4.4 5.9 -5.2 94 94 Z K T >> + 0 0 35 1,-0.2 3,-3.0 2,-0.2 4,-1.1 0.789 58.3 81.4 -79.2 -26.2 2.5 3.2 -3.4 95 95 Z Q H <> S+ 0 0 21 -3,-2.1 4,-3.6 1,-0.3 5,-0.2 0.780 80.4 72.5 -49.0 -25.7 2.7 4.7 0.1 96 96 Z Y H <> S+ 0 0 51 -3,-0.6 4,-2.4 1,-0.2 -1,-0.3 0.850 95.3 51.0 -58.1 -34.4 -0.3 6.9 -1.2 97 97 Z D H <> S+ 0 0 15 -3,-3.0 4,-3.5 -4,-0.2 -1,-0.2 0.956 113.1 44.1 -67.0 -50.9 -2.4 3.7 -0.9 98 98 Z Y H X S+ 0 0 0 -4,-1.1 4,-3.4 2,-0.2 -2,-0.2 0.904 114.6 48.2 -61.4 -43.6 -1.1 3.1 2.7 99 99 Z L H X S+ 0 0 80 -4,-3.6 4,-2.9 2,-0.2 5,-0.2 0.970 116.3 43.6 -62.2 -51.2 -1.5 6.8 3.8 100 100 Z R H X S+ 0 0 56 -4,-2.4 4,-2.4 -5,-0.2 5,-0.3 0.963 116.4 47.7 -56.2 -55.0 -5.0 6.9 2.3 101 101 Z F H X S+ 0 0 0 -4,-3.5 4,-2.4 -5,-0.2 -2,-0.2 0.959 113.5 48.9 -47.9 -60.1 -5.9 3.5 3.8 102 102 Z R H X S+ 0 0 66 -4,-3.4 4,-3.3 1,-0.2 5,-0.3 0.891 111.4 48.0 -47.6 -52.2 -4.5 4.6 7.2 103 103 Z N H X S+ 0 0 95 -4,-2.9 4,-3.0 1,-0.2 5,-0.3 0.974 111.2 48.2 -57.7 -59.0 -6.3 7.9 7.3 104 104 Z A H X>S+ 0 0 2 -4,-2.4 5,-2.2 1,-0.2 4,-0.5 0.865 116.3 47.9 -49.4 -40.3 -9.7 6.5 6.4 105 105 Z L H ><5S+ 0 0 6 -4,-2.4 3,-1.9 -5,-0.3 -2,-0.2 0.986 114.1 40.8 -66.9 -61.4 -9.1 3.8 9.0 106 106 Z L H 3<5S+ 0 0 91 -4,-3.3 -2,-0.2 1,-0.3 -1,-0.2 0.788 109.6 62.2 -60.0 -27.1 -8.0 5.9 11.9 107 107 Z S H 3<5S- 0 0 71 -4,-3.0 -1,-0.3 -5,-0.3 -2,-0.2 0.690 111.9-121.1 -71.9 -17.8 -10.6 8.5 11.0 108 108 Z G T <<5 + 0 0 44 -3,-1.9 2,-0.5 -4,-0.5 -3,-0.2 0.709 47.5 171.4 83.9 21.3 -13.3 5.8 11.7 109 109 Z I < + 0 0 21 -5,-2.2 -1,-0.3 -6,-0.2 -2,-0.1 -0.517 8.3 158.7 -67.8 119.3 -14.7 6.1 8.2 110 110 Z I + 0 0 73 -2,-0.5 -82,-0.6 -3,-0.1 2,-0.4 0.385 48.9 69.1-124.3 0.8 -17.2 3.2 7.9 111 111 Z S B > S-B 27 0A 20 -84,-0.2 3,-1.8 1,-0.1 4,-0.3 -0.970 75.2-129.3-127.5 142.4 -19.4 4.3 5.1 112 112 Z L G > S+ 0 0 76 -86,-0.7 3,-1.1 -2,-0.4 -1,-0.1 0.809 106.3 61.2 -51.4 -33.6 -18.8 4.6 1.4 113 113 Z E G 3 S+ 0 0 139 1,-0.3 -1,-0.3 -3,-0.0 -4,-0.0 0.672 105.7 42.9 -73.1 -18.7 -20.2 8.1 1.5 114 114 Z D G < S+ 0 0 111 -3,-1.8 -1,-0.3 2,-0.1 -2,-0.2 0.207 89.2 108.0-110.3 13.9 -17.7 9.6 3.9 115 115 Z L S < S- 0 0 24 -3,-1.1 3,-0.1 -4,-0.3 -3,-0.0 -0.826 76.2-114.6 -95.1 117.6 -14.8 7.9 2.2 116 116 Z P - 0 0 75 0, 0.0 2,-0.6 0, 0.0 -2,-0.1 -0.026 28.5-103.6 -49.0 147.2 -12.6 10.4 0.3 117 117 Z D - 0 0 171 2,-0.0 2,-0.4 1,-0.0 0, 0.0 -0.648 50.6-165.4 -75.3 121.1 -12.3 10.2 -3.5 118 118 Z Y + 0 0 74 -2,-0.6 2,-0.3 -3,-0.1 -21,-0.0 -0.931 26.2 162.2-123.3 137.8 -8.9 8.6 -4.0 119 119 Z T - 0 0 119 -2,-0.4 -2,-0.0 -23,-0.0 2,-0.0 -0.954 40.5-113.5-147.3 124.6 -6.5 8.2 -7.0 120 120 Z R - 0 0 92 -2,-0.3 2,-0.2 1,-0.1 -26,-0.1 -0.290 26.0-133.1 -57.7 133.0 -2.8 7.3 -6.7 121 121 Z S - 0 0 48 -28,-0.2 -25,-0.1 1,-0.1 -1,-0.1 -0.569 2.3-150.5 -81.5 156.2 -0.5 10.0 -7.8 122 122 Z D + 0 0 92 -2,-0.2 -29,-0.2 2,-0.1 -1,-0.1 0.520 68.2 113.4 -98.4 -12.2 2.3 8.7 -10.1 123 123 Z E S S- 0 0 135 1,-0.1 -2,-0.1 -30,-0.1 0, 0.0 -0.422 73.3-123.2 -60.4 119.9 4.3 11.6 -8.6 124 124 Z P - 0 0 64 0, 0.0 -32,-0.1 0, 0.0 -1,-0.1 -0.109 11.0-150.1 -63.7 165.6 7.1 9.9 -6.6 125 125 Z L S S+ 0 0 72 -34,-0.5 2,-0.2 0, 0.0 -33,-0.1 0.668 77.2 20.3-108.1 -27.8 7.7 10.6 -2.9 126 126 Z N - 0 0 51 -35,-0.3 2,-0.3 4,-0.0 50,-0.1 -0.629 67.6-139.4-127.5-173.3 11.4 10.1 -2.7 127 127 Z S >> - 0 0 61 -2,-0.2 3,-2.4 1,-0.1 4,-0.9 -0.970 45.5 -76.2-149.8 151.5 14.3 10.1 -5.1 128 128 Z I H >> S+ 0 0 33 -2,-0.3 4,-1.8 1,-0.3 3,-0.5 0.579 123.7 51.0 -9.7 -78.6 17.4 7.9 -5.3 129 129 Z E H 3> S+ 0 0 90 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.784 111.2 48.8 -41.9 -41.9 19.4 9.3 -2.4 130 130 Z S H <> S+ 0 0 51 -3,-2.4 4,-0.6 2,-0.2 -1,-0.2 0.932 115.6 42.2 -68.5 -45.5 16.6 9.0 0.1 131 131 Z I H X< S+ 0 0 3 -4,-0.9 3,-2.7 -3,-0.5 6,-0.2 0.996 116.5 48.2 -58.6 -70.9 15.6 5.4 -0.8 132 132 Z I H 3< S+ 0 0 27 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.623 112.3 50.4 -39.7 -28.5 19.3 4.3 -1.0 133 133 Z N H 3< S+ 0 0 125 -4,-1.2 2,-0.3 -5,-0.3 -1,-0.3 0.455 80.4 105.4 -99.1 -1.4 20.1 5.9 2.4 134 134 Z T S X< S- 0 0 36 -3,-2.7 3,-1.3 -4,-0.6 4,-0.3 -0.610 73.4-127.5 -80.4 139.6 17.4 4.6 4.6 135 135 Z S T > S+ 0 0 102 -2,-0.3 3,-0.7 1,-0.2 4,-0.3 0.942 102.6 47.8 -51.1 -62.1 18.6 1.9 7.0 136 136 Z Y T >> S+ 0 0 20 1,-0.2 4,-2.6 2,-0.1 3,-0.9 0.527 82.4 101.2 -62.1 -6.0 16.1 -0.9 6.2 137 137 Z F H <> S+ 0 0 1 -3,-1.3 4,-2.9 1,-0.3 5,-0.4 0.919 74.7 56.3 -44.8 -61.3 16.5 -0.5 2.4 138 138 Z S H <> S+ 0 0 22 -3,-0.7 4,-0.6 -4,-0.3 -1,-0.3 0.834 114.4 41.7 -40.4 -41.7 18.8 -3.6 2.0 139 139 Z A H X> S+ 0 0 0 -3,-0.9 3,-1.6 -4,-0.3 4,-1.5 0.959 111.1 53.6 -74.7 -51.9 16.2 -5.7 3.7 140 140 Z W H >X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.3 3,-0.6 0.937 105.8 55.5 -45.2 -54.3 13.2 -4.1 1.9 141 141 Z L H 3X S+ 0 0 0 -4,-2.9 4,-1.6 1,-0.3 -1,-0.3 0.735 100.5 59.8 -53.9 -25.5 14.9 -4.8 -1.5 142 142 Z V H - F 0 199B 22 28,-1.6 28,-2.5 -2,-0.3 3,-1.1 -0.900 27.5-115.9-164.7 134.2 7.8 -1.5 -11.8 172 172 Z R E 3 S+ F 0 198B 128 26,-0.3 26,-0.3 -2,-0.3 21,-0.0 -0.445 98.7 1.6 -71.5 144.2 5.1 0.8 -13.2 173 173 Z D T 3 S+ 0 0 21 24,-2.4 -80,-0.3 1,-0.1 -1,-0.2 0.690 103.4 115.2 54.0 18.6 5.5 4.6 -12.4 174 174 Z G <> + 0 0 4 -3,-1.1 4,-3.3 23,-0.5 5,-0.4 -0.156 14.3 132.4-115.6 45.8 8.8 3.8 -10.7 175 175 Z D H > S+ 0 0 80 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.953 83.9 44.9 -57.0 -47.2 11.6 5.3 -12.5 176 176 Z I H > S+ 0 0 47 -3,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.944 117.3 45.4 -61.6 -45.1 13.1 6.7 -9.3 177 177 Z L H > S+ 0 0 7 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.986 116.4 43.5 -61.4 -58.5 12.5 3.5 -7.5 178 178 Z I H X S+ 0 0 0 -4,-3.3 4,-2.5 1,-0.2 -1,-0.2 0.873 115.6 49.6 -54.2 -41.0 13.9 1.3 -10.2 179 179 Z S H X S+ 0 0 23 -4,-2.8 4,-3.2 -5,-0.4 -1,-0.2 0.913 107.2 54.7 -65.3 -43.2 16.8 3.6 -10.8 180 180 Z A H X S+ 0 0 0 -4,-2.7 4,-3.1 -5,-0.3 -2,-0.2 0.918 110.3 45.2 -56.7 -46.1 17.7 3.8 -7.2 181 181 Z I H X S+ 0 0 1 -4,-2.1 4,-2.5 2,-0.2 5,-0.3 0.976 110.8 55.8 -60.1 -53.6 17.9 -0.1 -7.0 182 182 Z R H <>S+ 0 0 68 -4,-2.5 5,-2.2 1,-0.2 -2,-0.2 0.893 111.3 43.4 -44.1 -50.4 19.9 0.1 -10.2 183 183 Z K H ><5S+ 0 0 104 -4,-3.2 3,-3.0 3,-0.2 -1,-0.2 0.988 110.1 55.8 -61.1 -58.5 22.3 2.5 -8.5 184 184 Z Y H 3<5S+ 0 0 85 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.834 113.5 39.4 -39.1 -52.5 22.5 0.5 -5.3 185 185 Z L T 3<5S- 0 0 7 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.2 0.333 112.4-121.7 -84.9 6.6 23.6 -2.8 -7.0 186 186 Z S T < 5 + 0 0 64 -3,-3.0 -3,-0.2 -5,-0.3 -2,-0.1 0.817 53.8 159.2 59.4 33.6 25.8 -0.8 -9.3 187 187 Z F < - 0 0 4 -5,-2.2 -1,-0.2 -6,-0.2 16,-0.1 -0.462 26.2-167.9 -79.3 162.4 24.2 -1.9 -12.6 188 188 Z T + 0 0 119 -2,-0.1 -1,-0.1 2,-0.1 15,-0.1 0.283 43.0 124.1-132.7 8.3 24.8 0.3 -15.6 189 189 Z T S S- 0 0 54 1,-0.1 2,-0.6 -7,-0.1 14,-0.1 -0.325 73.9-100.0 -62.8 154.5 22.2 -1.2 -18.0 190 190 Z K - 0 0 178 1,-0.0 2,-0.2 11,-0.0 -1,-0.1 -0.714 32.7-124.4 -84.1 120.5 19.8 1.5 -19.3 191 191 Z V - 0 0 26 -2,-0.6 2,-0.5 10,-0.1 10,-0.2 -0.464 29.6-143.6 -63.4 127.1 16.5 1.4 -17.5 192 192 Z Y E -G 200 0B 121 8,-2.4 8,-2.9 -2,-0.2 2,-0.6 -0.839 8.4-151.0-103.1 125.9 13.8 1.0 -20.1 193 193 Z L E -G 199 0B 89 -2,-0.5 6,-0.2 6,-0.2 4,-0.1 -0.820 25.9-157.2 -91.4 119.0 10.3 2.7 -20.0 194 194 Z D - 0 0 37 4,-2.1 -1,-0.1 -2,-0.6 5,-0.0 0.145 40.9 -67.4 -81.8-163.2 7.8 0.5 -21.9 195 195 Z K S S+ 0 0 198 2,-0.1 2,-0.1 3,-0.0 -2,-0.0 0.829 128.1 42.0 -55.2 -35.9 4.4 1.1 -23.6 196 196 Z T S S- 0 0 75 2,-0.1 -24,-0.0 1,-0.0 0, 0.0 -0.040 117.2 -86.2 -91.7-160.0 3.0 1.8 -20.1 197 197 Z N S S+ 0 0 73 -4,-0.1 -24,-2.4 -2,-0.1 2,-0.7 -0.108 82.8 140.2-101.7 34.6 4.9 3.9 -17.5 198 198 Z C E -F 172 0B 21 -26,-0.3 -4,-2.1 -25,-0.2 2,-0.6 -0.708 44.1-150.9 -89.3 113.2 6.7 0.6 -16.6 199 199 Z S E -FG 171 193B 0 -28,-2.5 -28,-1.6 -2,-0.7 2,-0.5 -0.700 14.2-164.0 -82.9 116.7 10.4 1.0 -15.8 200 200 Z K E -FG 170 192B 98 -8,-2.9 -8,-2.4 -2,-0.6 2,-0.4 -0.885 6.5-170.2-107.1 130.2 12.2 -2.3 -16.6 201 201 Z L E +F 169 0B 2 -32,-2.5 -32,-2.6 -2,-0.5 2,-0.3 -0.947 14.7 166.3-116.4 139.3 15.7 -3.0 -15.3 202 202 Z K E -F 168 0B 76 -2,-0.4 2,-0.3 -34,-0.2 -34,-0.2 -0.991 13.2-167.3-153.5 143.0 17.7 -6.0 -16.6 203 203 Z V E +F 167 0B 1 -36,-1.9 -36,-1.2 -2,-0.3 -2,-0.0 -0.957 20.5 163.5-136.2 157.0 21.3 -7.2 -16.5 204 204 Z T + 0 0 45 -2,-0.3 -1,-0.1 -38,-0.2 -36,-0.0 0.482 41.7 117.0-139.1 -23.4 23.4 -9.9 -18.2 205 205 Z S S > S- 0 0 51 1,-0.1 4,-2.3 4,-0.1 5,-0.3 -0.015 70.1-122.2 -55.3 154.9 27.0 -9.0 -17.5 206 206 Z V H > S+ 0 0 40 1,-0.2 4,-1.9 2,-0.2 -1,-0.1 0.873 116.1 47.8 -65.9 -34.2 29.4 -11.2 -15.6 207 207 Z R H > S+ 0 0 155 2,-0.2 4,-1.4 3,-0.1 -1,-0.2 0.901 110.1 49.6 -75.2 -38.8 29.9 -8.3 -13.2 208 208 Z S H >> S+ 0 0 10 2,-0.2 4,-1.5 1,-0.2 3,-1.0 0.977 112.6 47.3 -62.1 -53.5 26.2 -7.4 -12.8 209 209 Z V H 3X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.3 3,-0.3 0.934 107.8 56.7 -52.6 -49.2 25.3 -11.0 -12.0 210 210 Z E H 3X S+ 0 0 47 -4,-1.9 4,-1.4 -5,-0.3 -1,-0.3 0.830 106.0 55.2 -50.8 -32.6 28.2 -11.2 -9.6 211 211 Z N H < S+ 0 0 1 -4,-3.2 3,-1.3 1,-0.2 -2,-0.2 0.891 111.8 51.1 -65.2 -46.1 21.9 -11.4 -1.5 217 217 Z Q H 3< S+ 0 0 77 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.831 121.3 36.1 -62.4 -33.3 24.7 -13.3 0.2 218 218 Z N T 3< S+ 0 0 137 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.082 89.7 118.0-109.4 24.4 25.3 -10.2 2.3 219 219 Z A S < S- 0 0 15 -3,-1.3 -80,-0.1 2,-0.2 -3,-0.0 -0.678 73.0-118.2 -89.7 145.3 21.8 -8.9 2.8 220 220 Z P S S+ 0 0 69 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.782 90.6 24.9 -51.8 -30.2 20.4 -8.7 6.3 221 221 Z V S S- 0 0 9 -83,-0.1 2,-0.4 -217,-0.1 -2,-0.2 -0.731 78.4-106.1-132.1-176.5 17.6 -11.1 5.6 222 222 Z K - 0 0 88 -2,-0.3 2,-0.2 32,-0.0 6,-0.1 -0.931 14.3-123.4-131.7 147.6 16.6 -13.8 3.4 223 223 Z L + 0 0 0 -2,-0.4 31,-0.1 1,-0.1 -80,-0.1 -0.480 31.7 173.2 -67.8 132.7 14.4 -14.8 0.6 224 224 Z L + 0 0 52 -2,-0.2 -1,-0.1 30,-0.1 -178,-0.1 0.328 45.4 67.2-132.1 5.5 12.3 -17.6 1.8 225 225 Z G S >> S- 0 0 10 -182,-0.1 4,-1.4 -183,-0.0 3,-0.6 -0.079 102.7 -59.2-109.3-150.4 9.8 -18.3 -1.0 226 226 Z N H 3> S+ 0 0 32 1,-0.3 4,-2.6 2,-0.2 3,-0.4 0.917 128.4 60.3 -61.3 -41.7 9.5 -19.5 -4.5 227 227 Z K H 3> S+ 0 0 30 1,-0.3 4,-2.0 2,-0.2 -1,-0.3 0.833 99.7 58.6 -56.0 -30.6 11.8 -16.8 -5.7 228 228 Z K H <> S+ 0 0 44 -3,-0.6 4,-2.1 2,-0.2 -1,-0.3 0.947 108.5 43.7 -62.6 -47.5 14.4 -18.3 -3.4 229 229 Z L H X S+ 0 0 83 -4,-1.4 4,-2.3 -3,-0.4 5,-0.2 0.874 109.8 56.4 -64.8 -39.0 14.1 -21.6 -5.3 230 230 Z Q H X S+ 0 0 66 -4,-2.6 4,-1.2 1,-0.2 -1,-0.2 0.873 109.8 47.5 -59.2 -37.5 14.1 -19.8 -8.6 231 231 Z Y H X S+ 0 0 2 -4,-2.0 4,-3.1 -5,-0.2 -2,-0.2 0.891 108.0 52.9 -72.5 -41.5 17.4 -18.3 -7.6 232 232 Z L H X S+ 0 0 56 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.904 110.4 47.4 -62.4 -40.3 18.9 -21.6 -6.4 233 233 Z L H X S+ 0 0 81 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.835 112.5 51.5 -68.0 -31.2 18.1 -23.3 -9.7 234 234 Z W H X S+ 0 0 3 -4,-1.2 4,-1.8 -5,-0.2 3,-0.4 0.996 106.3 53.1 -63.1 -67.4 19.6 -20.2 -11.5 235 235 Z L H >X S+ 0 0 2 -4,-3.1 3,-1.0 1,-0.3 4,-0.5 0.870 107.0 55.4 -30.0 -58.8 22.8 -20.5 -9.4 236 236 Z K H >X S+ 0 0 124 -4,-2.2 3,-2.6 1,-0.3 4,-0.7 0.930 107.4 44.9 -47.3 -59.7 23.0 -24.0 -10.5 237 237 Z Q H 3X S+ 0 0 76 -4,-2.0 4,-0.6 -3,-0.4 -1,-0.3 0.737 100.9 71.9 -61.4 -17.0 22.9 -23.3 -14.2 238 238 Z L H << S+ 0 0 4 -4,-1.8 7,-0.4 -3,-1.0 -1,-0.3 0.690 93.4 55.8 -72.0 -13.9 25.4 -20.5 -13.5 239 239 Z R H << S+ 0 0 111 -3,-2.6 -1,-0.2 -4,-0.5 -2,-0.2 0.819 102.6 52.0 -86.8 -28.7 28.0 -23.3 -12.9 240 240 Z K H < S+ 0 0 186 -4,-0.7 2,-0.8 -3,-0.2 -2,-0.2 0.565 96.2 80.0 -80.8 -7.7 27.6 -24.9 -16.3 241 241 Z I S >X S- 0 0 11 -4,-0.6 4,-2.3 1,-0.2 3,-0.8 -0.875 70.9-161.9-101.9 104.2 28.1 -21.5 -17.9 242 242 Z S H 3> S+ 0 0 71 -2,-0.8 4,-2.3 1,-0.2 5,-0.5 0.917 80.8 61.9 -49.8 -63.7 31.9 -20.9 -17.9 243 243 Z R H 34 S+ 0 0 55 1,-0.3 -1,-0.2 2,-0.2 -2,-0.0 0.785 116.8 37.2 -38.4 -36.5 32.2 -17.2 -18.4 244 244 Z Y H X4 S+ 0 0 4 -3,-0.8 3,-1.4 2,-0.1 -1,-0.3 0.936 116.3 51.1 -80.7 -50.7 30.3 -16.9 -15.1 245 245 Z S H >< S+ 0 0 36 -4,-2.3 3,-1.1 -7,-0.4 -2,-0.2 0.889 107.5 49.0 -55.3 -52.2 31.8 -19.9 -13.2 246 246 Z E T 3< S+ 0 0 161 -4,-2.3 -1,-0.3 1,-0.2 -3,-0.1 0.466 117.4 52.9 -69.7 5.6 35.4 -19.2 -13.7 247 247 Z K T < S+ 0 0 137 -3,-1.4 2,-0.3 -5,-0.5 -2,-0.2 0.442 106.9 22.0-126.0 7.4 34.3 -15.8 -12.5 248 248 Z I < - 0 0 29 -3,-1.1 2,-0.2 -4,-0.2 -1,-0.2 -0.988 59.3-121.2-163.7 165.9 32.3 -15.9 -9.1 249 249 Z K + 0 0 181 -2,-0.3 -36,-0.0 1,-0.1 -3,-0.0 -0.566 40.6 147.3-101.4 167.1 31.6 -17.8 -6.0 250 250 Z I + 0 0 20 -2,-0.2 2,-0.6 1,-0.1 3,-0.4 0.545 13.9 87.6-159.6 -59.8 28.1 -18.9 -5.0 251 251 Z P + 0 0 59 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.714 45.9 84.8-107.8 114.6 26.2 -21.7 -3.2 252 252 Z S S S- 0 0 115 -2,-0.6 2,-0.2 1,-0.2 -2,-0.0 0.314 94.9 -34.7-142.9 -32.4 25.1 -22.6 0.2 253 253 Z N 0 0 64 -3,-0.4 -1,-0.2 1,-0.1 -25,-0.0 -0.836 360.0 360.0 169.4 161.9 21.7 -20.5 0.2 254 254 Z Y 0 0 0 -2,-0.2 -1,-0.1 -31,-0.1 -30,-0.1 0.634 360.0 360.0 104.8 360.0 19.2 -17.6 -0.6