==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/DNA 16-MAR-10 3M7K . COMPND 2 MOLECULE: RESTRICTION ENDONUCLEASE PACI; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS ALCALIGENES; . AUTHOR B.W.SHEN,B.L.STODDARD . 142 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8310.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 85 59.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 9.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.7 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 . 4 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 48 33.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 0 1 0 1 1 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 3 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 A M 0 0 197 0, 0.0 2,-0.3 0, 0.0 11,-0.3 0.000 360.0 360.0 360.0 8.4 32.8 33.2 62.5 2 2 A T E -A 11 0A 92 9,-2.2 9,-3.2 8,-0.0 2,-0.4 -0.721 360.0-118.1 -98.1 151.5 32.0 37.0 62.1 3 3 A Q E -A 10 0A 97 -2,-0.3 7,-0.2 7,-0.2 6,-0.1 -0.742 23.0-126.6 -87.0 137.0 28.7 38.6 63.1 4 4 A C > - 0 0 0 5,-2.5 4,-2.3 -2,-0.4 5,-0.1 -0.749 10.7-145.9 -83.1 125.8 26.6 40.3 60.3 5 5 A P T 4 S+ 0 0 85 0, 0.0 -1,-0.1 0, 0.0 18,-0.1 0.641 95.1 46.9 -69.7 -12.1 25.8 43.9 61.3 6 6 A R T 4 S+ 0 0 138 16,-0.2 17,-0.1 3,-0.1 -3,-0.0 0.908 127.3 19.3 -94.6 -52.9 22.4 43.7 59.6 7 7 A C T 4 S- 0 0 28 2,-0.1 3,-0.1 0, 0.0 16,-0.0 0.631 93.0-133.4 -89.9 -17.4 20.9 40.3 60.8 8 8 A Q < + 0 0 112 -4,-2.3 2,-0.1 1,-0.3 -5,-0.0 0.495 53.8 148.3 74.6 7.2 23.2 40.0 63.9 9 9 A R - 0 0 61 -5,-0.1 -5,-2.5 -6,-0.1 2,-0.6 -0.442 52.8-124.5 -75.2 144.2 23.8 36.4 63.1 10 10 A N E +A 3 0A 127 -7,-0.2 2,-0.3 -2,-0.1 -7,-0.2 -0.833 48.3 168.9 -84.8 120.4 27.2 34.7 63.9 11 11 A L E -A 2 0A 13 -9,-3.2 -9,-2.2 -2,-0.6 46,-0.0 -0.974 34.7-107.3-141.4 150.3 28.3 33.3 60.5 12 12 A A > - 0 0 49 -2,-0.3 3,-2.2 -11,-0.3 4,-0.2 -0.257 42.2-102.0 -69.9 160.6 31.3 31.8 58.6 13 13 A A G > S+ 0 0 81 1,-0.3 3,-1.9 2,-0.2 -1,-0.1 0.799 118.4 65.8 -50.1 -35.8 33.3 33.6 56.0 14 14 A D G 3 S+ 0 0 76 1,-0.3 -1,-0.3 4,-0.0 4,-0.1 0.543 91.8 62.7 -71.9 -5.4 31.4 31.7 53.2 15 15 A E G < S+ 0 0 2 -3,-2.2 10,-3.1 42,-0.1 11,-0.3 0.442 99.8 70.3 -94.3 -0.0 28.2 33.5 54.2 16 16 A F B < S-B 24 0B 38 -3,-1.9 8,-0.1 8,-0.2 2,-0.1 -0.768 86.3-105.9-113.5 161.2 29.9 36.9 53.2 17 17 A Y - 0 0 40 6,-0.6 -2,-0.1 -2,-0.3 -1,-0.0 -0.454 16.6-132.5 -81.6 156.7 31.0 38.5 49.9 18 18 A A S S+ 0 0 94 -2,-0.1 -1,-0.1 -4,-0.1 -4,-0.0 0.663 86.8 67.5 -83.2 -15.9 34.6 38.8 48.7 19 19 A G S S- 0 0 52 66,-0.1 -2,-0.0 1,-0.0 -3,-0.0 0.090 111.7 -68.6 -86.1-157.5 34.2 42.5 47.8 20 20 A S S S+ 0 0 125 2,-0.0 2,-0.1 0, 0.0 -2,-0.0 0.328 86.5 124.5 -83.4 7.4 33.6 45.6 50.0 21 21 A S - 0 0 63 1,-0.1 -4,-0.2 2,-0.1 0, 0.0 -0.448 42.5-166.7 -69.2 139.5 30.0 44.6 51.1 22 22 A K + 0 0 171 -2,-0.1 -16,-0.2 2,-0.1 2,-0.2 0.605 63.0 91.1 -98.3 -20.5 29.4 44.4 54.9 23 23 A M S S- 0 0 42 -19,-0.1 -6,-0.6 -18,-0.1 2,-0.1 -0.495 79.9-117.9 -73.6 143.2 26.0 42.6 54.6 24 24 A C B > -B 16 0B 0 -2,-0.2 4,-2.5 -8,-0.1 5,-0.2 -0.326 31.6-103.0 -72.0 167.6 25.9 38.8 54.6 25 25 A K H > S+ 0 0 12 -10,-3.1 4,-2.8 1,-0.2 5,-0.2 0.879 121.5 53.7 -61.4 -38.3 24.6 36.9 51.5 26 26 A G H > S+ 0 0 0 -11,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.913 110.9 44.8 -63.1 -43.7 21.2 36.3 53.3 27 27 A C H > S+ 0 0 2 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.911 115.9 46.0 -67.9 -44.2 20.6 39.9 54.1 28 28 A M H X S+ 0 0 30 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.915 114.0 48.7 -66.3 -42.2 21.7 41.1 50.6 29 29 A T H X S+ 0 0 12 -4,-2.8 4,-2.7 -5,-0.2 -2,-0.2 0.923 111.7 49.6 -65.8 -40.1 19.5 38.4 48.9 30 30 A W H X S+ 0 0 41 -4,-2.5 4,-2.5 -5,-0.2 -2,-0.2 0.916 110.3 50.5 -61.0 -44.5 16.5 39.4 51.2 31 31 A Q H X S+ 0 0 74 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.922 113.2 46.3 -57.8 -44.9 17.0 43.1 50.3 32 32 A N H X S+ 0 0 68 -4,-2.4 4,-3.3 2,-0.2 5,-0.2 0.910 110.3 52.5 -64.9 -44.9 17.1 42.2 46.6 33 33 A L H X S+ 0 0 4 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.929 113.0 45.2 -56.9 -47.9 14.0 39.9 46.9 34 34 A S H X S+ 0 0 39 -4,-2.5 4,-2.1 2,-0.2 5,-0.2 0.940 116.8 42.9 -60.9 -54.7 12.0 42.7 48.6 35 35 A Y H X S+ 0 0 155 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.908 115.8 49.9 -57.3 -47.5 13.1 45.5 46.2 36 36 A N H X S+ 0 0 61 -4,-3.3 4,-2.4 -5,-0.2 6,-0.2 0.912 109.5 51.0 -60.1 -44.8 12.6 43.2 43.1 37 37 A A H X>S+ 0 0 3 -4,-2.5 5,-2.9 -5,-0.2 4,-1.0 0.919 114.7 42.6 -59.1 -47.9 9.1 42.1 44.2 38 38 A N H <5S+ 0 0 142 -4,-2.1 3,-0.3 3,-0.2 -1,-0.2 0.887 113.9 51.8 -68.9 -39.2 7.9 45.7 44.7 39 39 A K H <5S+ 0 0 121 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.898 117.8 37.4 -64.5 -37.3 9.6 46.8 41.5 40 40 A E H <5S- 0 0 110 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.507 112.0-111.6 -95.1 -6.2 8.0 44.1 39.4 41 41 A G T <5 + 0 0 68 -4,-1.0 2,-0.4 -3,-0.3 -3,-0.2 0.810 67.1 144.8 77.9 31.6 4.5 44.0 41.1 42 42 A H < - 0 0 46 -5,-2.9 -1,-0.3 -6,-0.2 -2,-0.1 -0.819 49.8-119.3 -99.4 142.7 5.0 40.5 42.7 43 43 A A - 0 0 64 -2,-0.4 57,-2.6 -5,-0.0 2,-0.3 -0.353 20.8-155.4 -68.9 158.0 3.7 39.6 46.1 44 44 A N B +c 100 0C 49 55,-0.2 57,-0.2 1,-0.1 -10,-0.0 -0.849 21.4 168.8-140.5 102.1 6.1 38.6 48.8 45 45 A T + 0 0 101 55,-2.5 56,-0.2 -2,-0.3 2,-0.1 0.519 50.8 101.8 -95.0 -6.1 4.8 36.4 51.6 46 46 A F - 0 0 9 54,-0.5 2,-0.3 4,-0.1 54,-0.1 -0.481 61.0-149.9 -61.2 143.1 8.3 35.6 53.1 47 47 A T > - 0 0 80 -2,-0.1 4,-3.0 1,-0.1 5,-0.2 -0.765 32.0-106.3 -99.5 164.2 9.3 37.5 56.2 48 48 A K H > S+ 0 0 53 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.923 121.6 50.1 -55.3 -46.4 13.0 38.2 56.7 49 49 A A H > S+ 0 0 78 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.888 113.0 44.7 -59.1 -46.3 13.2 35.5 59.4 50 50 A T H > S+ 0 0 64 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.904 113.8 51.5 -63.5 -43.7 11.4 32.9 57.3 51 51 A F H X S+ 0 0 0 -4,-3.0 4,-3.1 2,-0.2 -2,-0.2 0.921 107.8 50.9 -61.1 -44.5 13.5 33.8 54.3 52 52 A L H X S+ 0 0 22 -4,-2.7 4,-1.2 1,-0.2 -1,-0.2 0.883 112.9 45.8 -64.3 -37.7 16.8 33.5 56.3 53 53 A A H < S+ 0 0 82 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.881 115.5 47.5 -68.3 -39.7 15.8 30.0 57.6 54 54 A W H < S+ 0 0 86 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.902 110.8 51.5 -64.6 -41.5 14.7 29.0 54.1 55 55 A Y H < S+ 0 0 5 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.755 87.6 176.4 -72.2 -25.6 17.9 30.4 52.5 56 56 A G < - 0 0 28 -4,-1.2 2,-0.3 -5,-0.2 -1,-0.2 -0.176 38.5 -35.1 56.2-142.4 20.1 28.4 55.0 57 57 A L >> - 0 0 89 -4,-0.1 3,-2.1 1,-0.1 4,-0.8 -0.870 52.9-108.9-124.8 153.3 23.8 28.5 54.6 58 58 A S G >4 S+ 0 0 10 -2,-0.3 3,-0.6 1,-0.3 12,-0.5 0.739 112.2 53.9 -48.8 -42.7 26.2 28.7 51.7 59 59 A A G 34 S+ 0 0 65 1,-0.2 -1,-0.3 11,-0.1 -3,-0.0 0.695 111.1 47.9 -73.5 -17.1 27.7 25.1 51.8 60 60 A Q G <4 S+ 0 0 148 -3,-2.1 2,-0.4 9,-0.1 -1,-0.2 0.619 88.9 104.1 -93.8 -13.9 24.2 23.7 51.7 61 61 A R << + 0 0 5 -4,-0.8 9,-1.9 -3,-0.6 2,-0.3 -0.554 39.3 160.6 -79.0 125.0 22.9 25.8 48.8 62 62 A H B -D 69 0D 87 -2,-0.4 7,-0.2 7,-0.2 2,-0.2 -0.985 47.7 -97.7-137.4 146.7 22.6 24.2 45.3 63 63 A C > - 0 0 3 5,-2.7 4,-1.5 -2,-0.3 45,-0.2 -0.446 27.7-139.1 -65.0 132.3 20.6 25.3 42.4 64 64 A G T 4 S+ 0 0 35 43,-2.7 -1,-0.1 -2,-0.2 44,-0.1 0.496 97.4 40.3 -74.5 -6.0 17.3 23.4 42.3 65 65 A Y T 4 S+ 0 0 14 42,-0.2 68,-0.2 64,-0.1 -1,-0.2 0.808 130.4 17.9-103.6 -54.0 17.5 23.0 38.5 66 66 A C T 4 S- 0 0 4 66,-0.1 -2,-0.2 2,-0.1 70,-0.1 0.565 91.3-129.3 -99.7 -12.8 21.1 22.2 37.6 67 67 A G < + 0 0 38 -4,-1.5 -3,-0.1 1,-0.2 63,-0.0 0.439 50.1 155.4 83.0 0.4 22.4 21.1 41.0 68 68 A I - 0 0 3 -6,-0.1 -5,-2.7 1,-0.1 -1,-0.2 -0.343 41.4-124.2 -64.5 141.8 25.4 23.5 40.9 69 69 A S B > -D 62 0D 23 73,-1.1 4,-3.0 -7,-0.2 -7,-0.2 -0.427 22.0-110.8 -78.6 159.1 26.7 24.4 44.4 70 70 A E H > S+ 0 0 1 -9,-1.9 4,-2.3 -12,-0.5 5,-0.1 0.893 122.4 48.4 -56.2 -41.5 27.0 28.0 45.4 71 71 A A H > S+ 0 0 73 -13,-0.2 4,-1.7 -10,-0.2 -1,-0.2 0.892 110.5 52.0 -65.4 -40.0 30.9 27.6 45.4 72 72 A G H 4 S+ 0 0 5 2,-0.2 4,-0.5 1,-0.2 -2,-0.2 0.942 111.5 46.0 -60.3 -48.6 30.7 26.0 41.9 73 73 A F H ><>S+ 0 0 1 -4,-3.0 3,-1.5 1,-0.2 5,-0.5 0.899 108.5 55.6 -62.3 -41.6 28.6 28.8 40.6 74 74 A T H ><5S+ 0 0 31 -4,-2.3 3,-1.7 1,-0.3 -1,-0.2 0.879 101.7 59.3 -54.7 -38.2 30.9 31.4 42.2 75 75 A S T 3<5S+ 0 0 59 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.579 92.0 67.9 -71.9 -12.7 33.8 29.7 40.2 76 76 A L T < 5S- 0 0 30 -3,-1.5 -1,-0.3 -4,-0.5 -2,-0.2 0.644 96.6-142.1 -75.5 -17.9 32.0 30.5 37.0 77 77 A H T < 5 + 0 0 124 -3,-1.7 2,-0.2 -4,-0.4 -3,-0.1 0.897 32.1 174.9 53.4 48.7 32.7 34.2 37.6 78 78 A R < - 0 0 114 -5,-0.5 8,-2.8 8,-0.3 2,-0.4 -0.515 21.7-133.7 -76.7 150.3 29.3 35.3 36.2 79 79 A T B -E 85 0E 82 6,-0.2 6,-0.2 -2,-0.2 -1,-0.0 -0.858 7.1-133.8-110.6 145.2 28.5 39.0 36.5 80 80 A N > - 0 0 55 4,-2.8 3,-2.4 -2,-0.4 6,-0.0 -0.308 42.6 -87.5 -83.2 175.5 25.4 40.7 37.7 81 81 A P T 3 S+ 0 0 103 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.727 129.6 53.2 -64.0 -19.4 23.7 43.6 35.8 82 82 A R T 3 S- 0 0 200 2,-0.1 -3,-0.0 0, 0.0 0, 0.0 0.462 124.2-104.7 -87.6 -2.4 25.8 46.2 37.7 83 83 A G S < S+ 0 0 47 -3,-2.4 2,-0.3 1,-0.3 -4,-0.0 0.550 74.0 134.1 96.7 10.1 28.9 44.3 36.6 84 84 A Y - 0 0 157 1,-0.1 -4,-2.8 -5,-0.0 -1,-0.3 -0.678 63.8 -95.3 -98.4 152.2 30.0 42.5 39.8 85 85 A H B -E 79 0E 57 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.420 39.9-128.7 -61.1 120.9 31.0 38.9 40.4 86 86 A I + 0 0 19 -8,-2.8 -8,-0.3 -2,-0.2 -9,-0.2 -0.620 34.0 169.4 -78.5 130.5 28.0 36.8 41.5 87 87 A Q + 0 0 27 -2,-0.3 2,-0.3 -10,-0.1 -13,-0.2 0.294 54.0 50.5-130.2 2.6 28.8 34.8 44.7 88 88 A C S S- 0 0 17 -15,-0.1 22,-0.3 -14,-0.1 2,-0.3 -0.955 77.5-108.1-141.8 162.8 25.4 33.5 45.8 89 89 A L - 0 0 0 -2,-0.3 20,-0.2 20,-0.1 2,-0.1 -0.640 35.1-147.7 -89.1 148.3 22.4 31.6 44.5 90 90 A G E -F 108 0F 22 18,-2.2 18,-2.7 -2,-0.3 2,-0.5 -0.214 17.8 -90.3-107.7-163.9 19.1 33.4 43.9 91 91 A V E -F 107 0F 9 16,-0.2 2,-0.5 -2,-0.1 16,-0.2 -0.945 24.8-156.9-122.4 122.4 15.4 32.6 44.1 92 92 A D E -F 106 0F 3 14,-3.6 14,-1.8 -2,-0.5 2,-1.2 -0.840 17.5-138.2 -94.0 129.3 13.1 31.4 41.3 93 93 A R E -F 105 0F 40 -2,-0.5 12,-0.2 12,-0.2 5,-0.1 -0.812 22.4-152.2 -79.9 97.1 9.4 32.0 41.5 94 94 A S S S+ 0 0 28 10,-3.0 2,-0.8 -2,-1.2 28,-0.2 0.885 89.0 43.9 -38.8 -60.9 8.5 28.5 40.2 95 95 A D S > S- 0 0 77 9,-0.2 3,-1.8 4,-0.2 -1,-0.2 -0.855 84.4-154.8 -88.5 110.2 5.3 29.6 38.7 96 96 A S T 3 S+ 0 0 29 -2,-0.8 -1,-0.1 1,-0.3 -2,-0.1 0.642 92.1 60.2 -70.4 -14.1 6.4 32.8 37.1 97 97 A F T 3 S+ 0 0 200 2,-0.0 -1,-0.3 -55,-0.0 2,-0.2 0.654 99.6 70.8 -77.6 -23.1 2.9 34.2 37.3 98 98 A E S < S- 0 0 115 -3,-1.8 3,-0.1 1,-0.1 -5,-0.1 -0.592 81.2-119.7 -96.1 162.0 3.0 33.9 41.1 99 99 A G - 0 0 7 -2,-0.2 2,-0.5 1,-0.1 -55,-0.2 0.114 45.9 -60.3 -81.8-166.0 5.0 35.9 43.6 100 100 A Y B S+c 44 0C 28 -57,-2.6 -55,-2.5 -67,-0.1 -54,-0.5 -0.754 71.5 137.0 -83.2 122.6 7.7 35.1 46.1 101 101 A S > - 0 0 24 -2,-0.5 4,-1.9 -57,-0.2 -3,-0.0 -0.972 66.2-104.5-157.9 156.3 6.5 32.7 48.8 102 102 A P T 4 S+ 0 0 68 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.897 123.2 47.0 -49.9 -42.6 7.8 29.6 50.7 103 103 A Q T 4 S+ 0 0 176 1,-0.2 -3,-0.0 -3,-0.1 -9,-0.0 0.889 119.7 37.3 -69.9 -37.5 5.5 27.5 48.5 104 104 A N T 4 S+ 0 0 17 -10,-0.1 -10,-3.0 -11,-0.1 2,-0.3 0.558 95.4 102.4 -92.0 -9.2 6.5 29.1 45.1 105 105 A A E < +F 93 0F 15 -4,-1.9 2,-0.3 -12,-0.2 -12,-0.2 -0.564 40.1 173.7 -84.5 140.4 10.2 29.6 45.9 106 106 A R E -F 92 0F 60 -14,-1.8 -14,-3.6 -2,-0.3 2,-0.3 -0.990 35.6-115.2-137.9 137.5 12.9 27.5 44.5 107 107 A L E +F 91 0F 29 -2,-0.3 -43,-2.7 -16,-0.2 2,-0.3 -0.594 44.7 172.4 -72.7 135.5 16.7 28.1 44.8 108 108 A A E -F 90 0F 0 -18,-2.7 -18,-2.2 -2,-0.3 -45,-0.1 -0.991 33.5-122.8-147.0 140.2 18.2 28.8 41.4 109 109 A C > - 0 0 0 -2,-0.3 4,-2.7 -20,-0.2 5,-0.2 -0.391 38.9-109.0 -72.9 157.9 21.6 30.0 40.1 110 110 A F H > S+ 0 0 62 -22,-0.3 4,-2.0 1,-0.2 5,-0.2 0.789 117.2 58.1 -64.6 -26.4 21.4 33.1 37.9 111 111 A I H > S+ 0 0 33 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.966 112.6 37.7 -65.2 -52.0 22.1 31.1 34.8 112 112 A C H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.878 113.8 57.0 -68.6 -36.9 19.1 28.8 35.2 113 113 A N H X S+ 0 0 37 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.931 111.5 42.0 -58.6 -46.6 16.9 31.6 36.5 114 114 A R H < S+ 0 0 134 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.878 114.1 52.3 -69.3 -39.3 17.5 33.6 33.3 115 115 A I H < S+ 0 0 67 -4,-2.2 4,-0.2 1,-0.2 -2,-0.2 0.959 111.3 44.9 -58.7 -52.0 17.1 30.6 31.1 116 116 A K H >X S+ 0 0 0 -4,-2.8 3,-1.9 1,-0.1 4,-1.8 0.909 83.7 150.6 -58.0 -43.2 13.8 29.6 32.6 117 117 A S T 3< S- 0 0 59 -4,-2.1 -1,-0.1 -5,-0.3 -2,-0.1 -0.188 81.6 -51.2 47.4-133.5 12.8 33.3 32.3 118 118 A N T 34 S+ 0 0 125 -4,-0.1 -1,-0.3 -3,-0.1 -2,-0.1 0.061 129.2 83.6-112.7 23.3 9.0 33.2 31.9 119 119 A I T <4 S+ 0 0 113 -3,-1.9 2,-0.3 -4,-0.2 -2,-0.2 0.934 84.0 46.5 -86.7 -53.1 9.3 30.8 29.0 120 120 A F S < S- 0 0 71 -4,-1.8 -24,-0.2 -5,-0.2 -1,-0.1 -0.672 74.4-124.7-102.7 144.7 9.5 27.3 30.7 121 121 A S > - 0 0 54 -2,-0.3 4,-3.1 1,-0.1 5,-0.2 -0.337 35.6-106.5 -70.5 165.3 7.6 25.7 33.5 122 122 A A H > S+ 0 0 20 2,-0.2 4,-2.4 -28,-0.2 5,-0.1 0.921 125.0 52.1 -57.8 -43.4 9.4 24.4 36.5 123 123 A S H > S+ 0 0 86 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.930 111.8 44.4 -58.1 -50.1 8.7 20.9 35.2 124 124 A E H > S+ 0 0 99 1,-0.2 4,-1.7 2,-0.2 3,-0.4 0.909 113.8 51.8 -59.7 -41.6 10.2 21.8 31.7 125 125 A M H X S+ 0 0 0 -4,-3.1 4,-3.4 1,-0.2 -2,-0.2 0.804 97.8 64.6 -70.3 -30.7 13.1 23.5 33.5 126 126 A D H X S+ 0 0 69 -4,-2.4 4,-1.5 2,-0.2 -1,-0.2 0.922 106.0 46.9 -49.9 -44.0 13.8 20.4 35.6 127 127 A V H X S+ 0 0 98 -4,-1.1 4,-1.4 -3,-0.4 -2,-0.2 0.912 111.8 47.0 -68.7 -47.8 14.6 18.8 32.2 128 128 A L H X S+ 0 0 49 -4,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.898 107.6 60.9 -57.1 -42.7 16.8 21.7 31.0 129 129 A G H X S+ 0 0 0 -4,-3.4 4,-3.1 1,-0.2 -2,-0.2 0.881 100.0 52.2 -52.1 -44.5 18.5 21.7 34.4 130 130 A E H X S+ 0 0 125 -4,-1.5 4,-1.6 1,-0.2 -1,-0.2 0.915 110.9 49.0 -60.1 -41.2 19.8 18.1 33.9 131 131 A A H X S+ 0 0 60 -4,-1.4 4,-1.3 2,-0.2 -2,-0.2 0.861 112.2 47.3 -66.1 -38.4 21.2 19.1 30.5 132 132 A I H X S+ 0 0 26 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.895 107.1 57.2 -67.6 -44.0 22.9 22.1 32.2 133 133 A S H X S+ 0 0 23 -4,-3.1 4,-2.9 1,-0.2 5,-0.2 0.846 103.4 55.0 -51.7 -37.0 24.2 19.9 35.0 134 134 A K H X S+ 0 0 138 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.901 104.9 52.6 -68.6 -38.9 25.9 17.8 32.3 135 135 A A H X S+ 0 0 44 -4,-1.3 4,-1.3 2,-0.2 -2,-0.2 0.930 112.9 44.4 -57.4 -46.5 27.7 20.9 31.0 136 136 A W H >X>S+ 0 0 15 -4,-2.0 5,-2.5 2,-0.2 3,-0.8 0.960 113.9 47.8 -63.7 -52.1 29.0 21.6 34.5 137 137 A H H ><5S+ 0 0 124 -4,-2.9 3,-0.6 1,-0.3 -1,-0.2 0.835 110.0 55.6 -59.1 -32.7 30.0 18.0 35.2 138 138 A G H 3<5S+ 0 0 67 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.804 108.5 46.9 -66.7 -31.0 31.7 18.1 31.8 139 139 A R H <<5S- 0 0 168 -4,-1.3 -1,-0.2 -3,-0.8 -2,-0.2 0.492 122.3-106.5 -86.6 -5.5 33.7 21.1 32.9 140 140 A G T <<5S+ 0 0 71 -4,-0.7 2,-0.4 -3,-0.6 -3,-0.2 0.702 75.3 137.0 84.6 23.9 34.7 19.5 36.2 141 141 A I < 0 0 29 -5,-2.5 -1,-0.3 -6,-0.1 -2,-0.2 -0.890 360.0 360.0-110.5 130.1 32.3 21.7 38.3 142 142 A A 0 0 79 -2,-0.4 -73,-1.1 -74,-0.1 -1,-0.1 0.565 360.0 360.0-110.1 360.0 30.0 20.4 41.1