==== 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 02-MAR-07 2P14 . COMPND 2 MOLECULE: HETERODIMERIC RESTRICTION ENDONUCLEASE R.BSPD6I S . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SP.; . AUTHOR G.S.KACHALOVA,H.D.BARTUNIK,R.I.ARTYUKH,E.A.ROGULIN,A.K.YUNUS . 186 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9385.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 132 71.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 7.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 7.5 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 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 11 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 69 37.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.1 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 0 1 1 0 0 0 1 2 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 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 PARALLEL BRIDGES PER LADDER . 0 1 0 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 39 0, 0.0 4,-2.5 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 -40.8 26.9 16.9 17.4 2 2 A Q H > + 0 0 105 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.857 360.0 57.9 -59.3 -33.0 29.7 17.2 19.9 3 3 A D H > S+ 0 0 91 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.886 107.3 46.6 -61.8 -39.9 27.1 17.9 22.5 4 4 A I H > S+ 0 0 7 -3,-0.3 4,-0.8 2,-0.2 -2,-0.2 0.930 112.7 49.0 -71.1 -46.2 25.4 14.5 21.7 5 5 A L H >< S+ 0 0 2 -4,-2.5 3,-0.9 1,-0.2 4,-0.3 0.921 111.3 49.5 -59.1 -44.1 28.7 12.6 21.8 6 6 A D H >< S+ 0 0 84 -4,-2.7 3,-1.8 1,-0.2 -1,-0.2 0.809 98.8 68.8 -63.7 -31.5 29.7 14.2 25.1 7 7 A F H >X S+ 0 0 50 -4,-1.4 3,-2.5 1,-0.3 4,-1.1 0.788 81.0 75.1 -63.3 -25.3 26.3 13.3 26.6 8 8 A Y T << S+ 0 0 11 -3,-0.9 4,-0.4 -4,-0.8 3,-0.3 0.838 90.0 58.9 -51.9 -27.7 27.3 9.6 26.4 9 9 A E T <4 S+ 0 0 102 -3,-1.8 -1,-0.3 -4,-0.3 -2,-0.2 0.541 107.8 45.5 -82.4 -4.4 29.4 10.3 29.4 10 10 A E T X4 S+ 0 0 83 -3,-2.5 3,-1.9 -4,-0.2 4,-0.3 0.522 85.4 91.9-107.8 -12.1 26.3 11.4 31.4 11 11 A V G >< S+ 0 0 2 -4,-1.1 3,-1.6 -3,-0.3 9,-0.2 0.863 81.6 56.8 -53.8 -40.7 24.0 8.6 30.4 12 12 A E G 3 S+ 0 0 106 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.637 103.3 55.4 -72.6 -9.5 25.0 6.5 33.5 13 13 A K G < S+ 0 0 154 -3,-1.9 -1,-0.3 3,-0.1 -2,-0.2 0.328 87.9 99.0-103.1 3.8 23.9 9.3 35.8 14 14 A T S < S- 0 0 31 -3,-1.6 5,-0.0 -4,-0.3 -3,-0.0 -0.365 91.0-102.6 -80.6 170.2 20.4 9.6 34.4 15 15 A I S S+ 0 0 160 1,-0.3 -1,-0.1 -2,-0.1 -3,-0.0 0.777 115.7 19.5 -69.1 -21.5 17.4 7.9 36.1 16 16 A N S >> S- 0 0 61 -5,-0.1 4,-1.9 1,-0.1 3,-0.6 -0.692 70.0-171.4-147.9 84.8 17.3 5.1 33.6 17 17 A P H 3> S+ 0 0 31 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.875 83.7 55.6 -52.0 -44.2 20.6 4.7 31.7 18 18 A P H 3> S+ 0 0 75 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.910 108.6 48.8 -52.9 -43.1 19.4 2.2 29.2 19 19 A N H <> S+ 0 0 27 -3,-0.6 4,-1.9 1,-0.2 33,-0.1 0.896 114.6 44.5 -63.8 -41.5 16.6 4.5 28.1 20 20 A Y H X S+ 0 0 23 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.822 108.9 57.7 -75.7 -26.7 19.0 7.5 27.7 21 21 A F H X S+ 0 0 6 -4,-2.6 4,-1.9 -5,-0.3 -2,-0.2 0.951 110.7 41.3 -67.9 -48.5 21.6 5.4 25.9 22 22 A E H X S+ 0 0 18 -4,-2.0 4,-2.5 -5,-0.2 -2,-0.2 0.936 116.2 51.7 -65.8 -40.5 19.3 4.3 23.1 23 23 A W H X S+ 0 0 40 -4,-1.9 4,-2.4 -5,-0.2 -2,-0.2 0.918 108.1 50.0 -61.3 -41.2 17.8 7.8 23.0 24 24 A N H X S+ 0 0 0 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.883 109.6 51.6 -68.0 -34.6 21.2 9.5 22.7 25 25 A T H X S+ 0 0 0 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.911 107.7 52.2 -67.4 -44.4 22.2 7.1 19.9 26 26 A Y H X S+ 0 0 41 -4,-2.5 4,-3.0 1,-0.2 5,-0.2 0.916 104.5 57.7 -53.2 -44.1 18.9 8.0 18.0 27 27 A R H X S+ 0 0 59 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.879 103.9 52.9 -56.8 -38.3 19.9 11.7 18.5 28 28 A V H X S+ 0 0 0 -4,-1.5 4,-2.3 2,-0.2 -1,-0.2 0.960 113.0 42.2 -60.6 -51.7 23.2 11.0 16.6 29 29 A F H X S+ 0 0 2 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.884 113.0 52.8 -67.1 -34.9 21.3 9.4 13.6 30 30 A K H < S+ 0 0 107 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.942 112.2 46.3 -63.1 -43.7 18.7 12.1 13.6 31 31 A K H < S+ 0 0 118 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.859 106.8 56.5 -70.6 -34.3 21.4 14.8 13.4 32 32 A L H < S+ 0 0 12 -4,-2.3 120,-0.2 -5,-0.2 -1,-0.2 0.876 91.1 174.5 -61.8 -37.8 23.4 13.0 10.7 33 33 A G < + 0 0 17 -4,-1.6 -1,-0.1 -5,-0.2 3,-0.1 -0.166 37.0 116.1 70.1-159.2 20.2 13.1 8.6 34 34 A S + 0 0 60 1,-0.2 32,-0.4 -4,-0.1 2,-0.2 0.668 54.3 130.3 72.4 15.8 19.9 12.0 5.0 35 35 A Y - 0 0 76 30,-0.1 30,-0.2 -5,-0.1 -1,-0.2 -0.651 57.0-147.8 -98.6 158.5 17.5 9.2 5.9 36 36 A K S S+ 0 0 129 28,-3.0 2,-0.3 1,-0.4 29,-0.2 0.850 88.6 5.5 -87.1 -40.1 14.1 8.2 4.3 37 37 A N E -A 64 0A 75 27,-1.6 27,-3.0 2,-0.0 2,-0.4 -0.993 58.0-170.8-140.8 147.5 12.8 6.9 7.7 38 38 A L E -A 63 0A 28 -2,-0.3 25,-0.2 25,-0.2 -12,-0.0 -0.971 11.0-173.9-138.3 119.3 14.0 6.9 11.2 39 39 A V E -A 62 0A 76 23,-3.1 23,-2.0 -2,-0.4 2,-0.5 -0.916 8.3-162.7-125.1 102.0 12.0 4.9 13.8 40 40 A P E -A 61 0A 41 0, 0.0 2,-1.3 0, 0.0 21,-0.2 -0.750 14.4-145.6 -80.5 124.8 12.9 5.0 17.5 41 41 A N S S+ 0 0 12 19,-3.1 2,-0.3 -2,-0.5 17,-0.1 -0.476 74.4 63.5 -87.8 62.7 11.4 2.0 19.3 42 42 A F S S- 0 0 11 -2,-1.3 2,-0.3 12,-0.1 11,-0.2 -0.943 75.6-117.8-167.6 169.2 10.8 4.0 22.5 43 43 A K E -E 52 0B 134 9,-2.6 8,-2.9 -2,-0.3 9,-0.5 -0.777 11.6-135.2-118.6 162.2 8.7 6.9 23.7 44 44 A L E -E 50 0B 83 -2,-0.3 2,-0.0 6,-0.3 -2,-0.0 -0.886 18.6-131.9-111.7 147.7 9.3 10.4 25.1 45 45 A D > - 0 0 62 4,-2.8 3,-1.6 -2,-0.4 -1,-0.1 -0.132 44.5 -83.8 -80.5-171.6 7.5 11.9 28.0 46 46 A D T 3 S+ 0 0 179 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.705 130.1 56.8 -75.1 -13.8 6.1 15.4 27.9 47 47 A S T 3 S- 0 0 99 2,-0.1 -1,-0.3 3,-0.0 -3,-0.0 0.353 120.6-107.1 -90.6 3.0 9.5 16.9 28.8 48 48 A G S < S+ 0 0 31 -3,-1.6 -2,-0.1 1,-0.3 3,-0.0 0.587 74.5 142.1 81.2 8.7 11.1 15.2 25.8 49 49 A H - 0 0 86 1,-0.1 -4,-2.8 2,-0.0 -1,-0.3 -0.670 58.2-112.0 -80.1 137.6 12.8 12.7 28.1 50 50 A P E +E 44 0B 3 0, 0.0 -6,-0.3 0, 0.0 -31,-0.1 -0.491 36.1 176.1 -69.3 138.8 13.1 9.1 26.8 51 51 A I E - 0 0 61 -8,-2.9 2,-0.4 1,-0.3 -7,-0.1 0.179 31.7-131.5-131.5 16.5 10.9 6.8 28.9 52 52 A G E +E 43 0B 5 -9,-0.5 -9,-2.6 1,-0.2 -1,-0.3 -0.553 45.0 154.7 75.9-124.2 11.3 3.4 27.2 53 53 A N - 0 0 132 -2,-0.4 -1,-0.2 -11,-0.2 -11,-0.1 0.899 33.5-177.1 58.7 44.5 8.0 1.6 26.5 54 54 A A - 0 0 50 1,-0.1 -1,-0.1 -12,-0.1 -12,-0.1 -0.335 31.8-110.1 -69.9 150.9 9.5 -0.3 23.6 55 55 A I > - 0 0 108 4,-0.1 3,-1.3 5,-0.1 -1,-0.1 -0.697 41.3-114.2 -75.4 124.7 7.5 -2.6 21.4 56 56 A P T 3 S+ 0 0 121 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.330 96.0 22.8 -56.3 142.5 8.7 -6.2 22.2 57 57 A G T 3 S+ 0 0 51 1,-0.2 2,-0.4 -3,-0.0 -2,-0.0 0.469 99.5 106.4 82.0 7.9 10.4 -8.0 19.3 58 58 A V S < S- 0 0 58 -3,-1.3 -1,-0.2 -17,-0.1 35,-0.1 -0.942 74.9-101.1-122.3 139.1 11.5 -4.9 17.4 59 59 A E - 0 0 26 -2,-0.4 -4,-0.1 34,-0.1 -18,-0.1 -0.070 31.7-115.1 -51.5 151.6 15.0 -3.3 17.1 60 60 A D S S+ 0 0 27 1,-0.2 -19,-3.1 12,-0.2 2,-0.3 0.893 95.4 2.0 -58.6 -42.1 15.9 -0.3 19.3 61 61 A I E -AB 40 72A 0 11,-1.6 11,-3.2 -21,-0.2 2,-0.4 -0.992 62.9-162.0-147.0 138.0 16.2 2.1 16.3 62 62 A L E -AB 39 71A 16 -23,-2.0 -23,-3.1 -2,-0.3 2,-0.5 -0.997 5.1-173.0-120.0 130.9 15.8 1.6 12.6 63 63 A V E -AB 38 70A 0 7,-2.7 7,-2.7 -2,-0.4 2,-0.6 -0.992 7.3-162.4-119.9 123.5 17.2 4.0 10.0 64 64 A E E -AB 37 69A 36 -27,-3.0 -28,-3.0 -2,-0.5 -27,-1.6 -0.924 10.5-179.1-106.6 117.4 16.2 3.5 6.4 65 65 A Y - 0 0 4 3,-2.6 3,-0.1 -2,-0.6 -30,-0.1 -0.548 45.2 -89.1-101.0 178.7 18.4 5.1 3.8 66 66 A E S S+ 0 0 147 -32,-0.4 3,-0.1 1,-0.2 -31,-0.1 0.906 120.3 19.0 -56.0 -47.7 17.8 5.0 0.1 67 67 A H S S+ 0 0 106 1,-0.2 36,-0.3 35,-0.1 2,-0.3 0.480 130.4 7.8-108.5 -1.1 19.8 1.9 -0.7 68 68 A F - 0 0 1 -3,-0.1 -3,-2.6 34,-0.1 2,-0.3 -0.979 61.0-129.2-168.9 165.2 20.1 0.1 2.7 69 69 A S E -Bc 64 104A 2 34,-2.2 36,-1.9 -2,-0.3 2,-0.4 -0.886 7.8-149.2-123.6 157.8 19.0 0.1 6.3 70 70 A I E -Bc 63 105A 0 -7,-2.7 -7,-2.7 -2,-0.3 2,-0.6 -0.998 4.9-156.9-126.9 124.5 20.7 0.0 9.6 71 71 A L E -Bc 62 106A 0 34,-2.6 36,-2.7 -2,-0.4 2,-0.5 -0.906 17.4-154.0 -92.6 127.8 19.1 -1.6 12.7 72 72 A I E -Bc 61 107A 0 -11,-3.2 -11,-1.6 -2,-0.6 2,-0.5 -0.913 11.9-173.1-112.7 123.3 20.7 -0.1 15.7 73 73 A E E - c 0 108A 2 34,-2.4 36,-2.7 -2,-0.5 2,-0.4 -0.980 6.9-164.3-117.2 124.8 20.8 -2.1 18.9 74 74 A C E + c 0 109A 12 -2,-0.5 2,-0.3 34,-0.2 36,-0.2 -0.916 12.9 167.4-116.6 133.3 22.1 -0.4 22.1 75 75 A S E - c 0 110A 7 34,-2.5 36,-0.5 -2,-0.4 -2,-0.0 -0.962 31.2-166.1-148.5 135.5 23.1 -2.1 25.3 76 76 A L + 0 0 30 -2,-0.3 2,-0.2 34,-0.2 34,-0.1 0.447 62.1 115.5 -89.3 -1.9 24.9 -1.1 28.5 77 77 A T - 0 0 36 4,-0.1 35,-0.3 5,-0.1 2,-0.3 -0.459 47.0-169.8 -71.3 135.5 25.4 -4.8 29.4 78 78 A I > + 0 0 86 -2,-0.2 3,-0.6 33,-0.1 4,-0.1 -0.817 40.5 16.3-123.4 164.9 28.9 -6.1 29.4 79 79 A G T >> S- 0 0 31 -2,-0.3 3,-1.8 1,-0.2 4,-0.7 -0.294 119.2 -25.7 75.2-161.4 30.6 -9.5 29.7 80 80 A E H 3> S+ 0 0 106 1,-0.3 4,-2.3 2,-0.2 3,-0.3 0.774 131.0 69.3 -60.6 -24.8 28.9 -12.9 29.1 81 81 A K H <> S+ 0 0 109 -3,-0.6 4,-2.8 1,-0.2 5,-0.3 0.755 89.5 64.6 -62.7 -24.1 25.5 -11.2 30.0 82 82 A Q H <>>S+ 0 0 0 -3,-1.8 4,-2.1 2,-0.2 5,-0.6 0.944 107.1 40.8 -63.7 -45.5 25.9 -9.3 26.8 83 83 A L H X>S+ 0 0 36 -4,-0.7 4,-1.9 -3,-0.3 5,-0.5 0.961 117.6 47.4 -59.6 -51.9 25.6 -12.6 24.9 84 84 A D H <5S+ 0 0 105 -4,-2.3 -2,-0.2 1,-0.2 4,-0.2 0.858 122.0 34.5 -61.2 -39.7 22.8 -14.0 27.2 85 85 A Y H <5S+ 0 0 126 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.776 134.1 17.9 -88.7 -28.6 20.7 -10.8 27.1 86 86 A E H X5S+ 0 0 35 -4,-2.1 4,-2.7 -5,-0.3 5,-0.3 0.648 97.2 85.5-119.7 -24.3 21.3 -9.5 23.5 87 87 A G H X S+ 0 0 24 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.889 109.9 53.9 -67.6 -37.2 17.3 -10.6 19.9 90 90 A V H X S+ 0 0 0 -4,-2.7 4,-1.5 2,-0.2 -1,-0.2 0.946 115.8 39.2 -58.9 -48.0 20.0 -8.8 17.8 91 91 A V H X S+ 0 0 18 -4,-1.8 4,-2.7 -5,-0.3 -2,-0.2 0.929 115.0 52.6 -70.4 -44.0 20.1 -11.7 15.3 92 92 A R H X S+ 0 0 113 -4,-3.0 4,-2.6 1,-0.2 5,-0.2 0.891 107.2 51.6 -58.8 -43.9 16.4 -12.3 15.3 93 93 A H H X S+ 0 0 12 -4,-2.5 4,-2.3 -5,-0.2 -1,-0.2 0.925 112.3 46.1 -62.3 -40.3 15.6 -8.6 14.6 94 94 A L H X S+ 0 0 0 -4,-1.5 4,-2.7 -5,-0.2 -2,-0.2 0.908 110.9 52.0 -66.9 -44.0 17.9 -8.6 11.6 95 95 A Q H X S+ 0 0 78 -4,-2.7 4,-0.9 1,-0.2 -2,-0.2 0.930 111.3 48.7 -56.2 -46.4 16.6 -11.9 10.3 96 96 A E H >< S+ 0 0 107 -4,-2.6 3,-0.8 1,-0.2 4,-0.3 0.928 112.7 45.9 -61.0 -46.5 13.1 -10.6 10.5 97 97 A Y H >< S+ 0 0 11 -4,-2.3 3,-2.0 1,-0.2 5,-0.4 0.896 105.8 60.6 -63.7 -40.6 13.9 -7.3 8.7 98 98 A K H >< S+ 0 0 55 -4,-2.7 3,-2.0 1,-0.3 -1,-0.2 0.694 83.9 79.2 -64.9 -18.0 15.9 -9.1 6.0 99 99 A K T << S+ 0 0 149 -4,-0.9 -1,-0.3 -3,-0.8 -2,-0.2 0.757 84.0 66.5 -55.7 -22.4 12.7 -11.1 5.1 100 100 A K T < S- 0 0 136 -3,-2.0 -1,-0.3 -4,-0.3 -2,-0.2 0.613 109.7-123.2 -75.7 -15.8 11.9 -7.8 3.2 101 101 A G < + 0 0 73 -3,-2.0 2,-0.4 1,-0.3 -3,-0.1 0.687 65.6 135.7 81.8 17.4 14.7 -8.3 0.8 102 102 A I - 0 0 66 -5,-0.4 -1,-0.3 1,-0.0 2,-0.2 -0.811 65.8-105.8-102.7 136.2 16.3 -4.9 1.6 103 103 A E + 0 0 69 -2,-0.4 -34,-2.2 -36,-0.3 2,-0.3 -0.454 56.1 166.8 -59.2 128.1 20.0 -4.6 2.1 104 104 A A E -c 69 0A 1 -36,-0.2 2,-0.3 -2,-0.2 -34,-0.2 -0.997 25.0-170.0-153.2 147.4 20.5 -4.1 5.9 105 105 A Y E -c 70 0A 21 -36,-1.9 -34,-2.6 -2,-0.3 2,-0.5 -0.955 20.7-132.2-129.9 148.8 23.2 -4.2 8.6 106 106 A T E -cd 71 130A 0 23,-2.5 25,-3.3 -2,-0.3 2,-0.6 -0.911 11.6-158.8 -99.9 133.6 22.9 -4.2 12.4 107 107 A L E -cd 72 131A 4 -36,-2.7 -34,-2.4 -2,-0.5 2,-0.5 -0.969 10.3-162.8-104.7 113.9 25.0 -1.7 14.3 108 108 A F E -cd 73 132A 0 23,-1.9 25,-3.0 -2,-0.6 2,-0.5 -0.912 4.8-162.4 -98.5 126.7 25.3 -3.0 17.9 109 109 A L E +cd 74 133A 0 -36,-2.7 -34,-2.5 -2,-0.5 2,-0.3 -0.950 20.9 152.4-116.1 121.4 26.6 -0.3 20.3 110 110 A G E -cd 75 134A 0 23,-2.2 25,-1.4 -2,-0.5 -34,-0.2 -0.816 54.9-113.3-135.8 172.3 28.0 -1.3 23.7 111 111 A K S S- 0 0 86 -36,-0.5 2,-0.3 1,-0.4 25,-0.3 0.854 106.9 -2.1 -71.9 -37.5 30.4 0.0 26.3 112 112 A S S S- 0 0 52 -35,-0.3 2,-0.6 22,-0.1 -1,-0.4 -0.979 78.1-121.1-151.5 148.5 32.6 -2.9 25.5 113 113 A I - 0 0 27 -2,-0.3 2,-0.2 -3,-0.2 -35,-0.1 -0.847 23.9-138.5-101.1 120.9 32.1 -5.8 23.2 114 114 A D > - 0 0 32 -2,-0.6 4,-2.5 -35,-0.2 5,-0.2 -0.548 10.3-134.3 -78.3 140.0 32.2 -9.3 24.7 115 115 A L H > S+ 0 0 53 -2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.889 105.5 51.8 -64.0 -39.1 34.1 -12.0 22.8 116 116 A S H > S+ 0 0 31 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.903 111.0 48.9 -64.6 -38.9 31.3 -14.6 23.2 117 117 A F H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.926 110.5 50.7 -60.8 -46.4 28.8 -12.1 21.9 118 118 A A H X S+ 0 0 0 -4,-2.5 4,-1.2 1,-0.2 -2,-0.2 0.887 108.6 52.0 -61.0 -39.2 31.1 -11.3 18.9 119 119 A R H < S+ 0 0 76 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.903 111.4 48.5 -60.7 -41.6 31.4 -15.0 18.2 120 120 A H H >< S+ 0 0 65 -4,-1.9 3,-1.3 1,-0.2 -2,-0.2 0.935 114.0 42.2 -62.0 -52.9 27.6 -15.2 18.2 121 121 A I H 3< S+ 0 0 2 -4,-2.6 9,-0.5 1,-0.3 3,-0.3 0.614 108.1 62.2 -77.6 -11.0 26.9 -12.3 15.9 122 122 A G T 3< S+ 0 0 2 -4,-1.2 3,-0.5 -5,-0.2 -1,-0.3 0.347 75.1 99.9 -89.3 6.6 29.8 -13.3 13.6 123 123 A F S < S+ 0 0 141 -3,-1.3 2,-0.3 1,-0.3 48,-0.3 0.882 96.5 12.5 -61.8 -44.1 28.1 -16.6 12.7 124 124 A N > + 0 0 52 4,-0.3 4,-2.4 -3,-0.3 -1,-0.3 -0.716 62.1 170.0-139.6 86.7 26.6 -15.6 9.3 125 125 A K T 4 S+ 0 0 14 -3,-0.5 42,-0.1 -2,-0.3 -1,-0.1 0.607 77.2 59.6 -75.9 -11.7 27.9 -12.3 8.0 126 126 A E T 4 S+ 0 0 143 2,-0.1 -1,-0.2 41,-0.1 -2,-0.1 0.966 122.4 16.6 -76.6 -56.3 26.3 -12.9 4.6 127 127 A S T 4 S+ 0 0 45 1,-0.2 -2,-0.2 0, 0.0 -29,-0.1 0.754 138.6 33.0 -91.5 -23.2 22.7 -13.1 5.7 128 128 A E S < S- 0 0 36 -4,-2.4 2,-0.5 -7,-0.1 -4,-0.3 -0.517 75.0-178.0-132.7 62.1 22.9 -11.6 9.2 129 129 A P + 0 0 4 0, 0.0 -23,-2.5 0, 0.0 2,-0.4 -0.542 5.0 175.6 -75.0 118.9 25.7 -8.9 9.1 130 130 A V E -d 106 0A 0 -9,-0.5 -23,-0.2 -2,-0.5 -2,-0.1 -0.977 15.2-162.6-122.8 128.0 26.2 -7.3 12.5 131 131 A I E -d 107 0A 0 -25,-3.3 -23,-1.9 -2,-0.4 2,-0.4 -0.937 11.5-153.5-113.0 114.1 28.9 -4.7 13.2 132 132 A P E +d 108 0A 0 0, 0.0 2,-0.4 0, 0.0 -23,-0.2 -0.726 16.8 178.6 -87.6 131.0 29.7 -4.3 17.0 133 133 A L E -d 109 0A 0 -25,-3.0 -23,-2.2 -2,-0.4 2,-0.2 -0.980 23.8-133.3-127.0 143.3 31.1 -0.9 18.1 134 134 A T E > -d 110 0A 19 -2,-0.4 4,-2.7 -25,-0.2 -23,-0.2 -0.511 35.2-107.7 -78.2 163.6 32.1 0.4 21.4 135 135 A V H > S+ 0 0 13 -25,-1.4 4,-2.7 1,-0.2 5,-0.2 0.913 121.9 52.8 -57.0 -40.6 30.9 3.9 22.3 136 136 A D H > S+ 0 0 98 -25,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.907 110.6 47.3 -65.0 -38.1 34.4 5.2 21.9 137 137 A Q H > S+ 0 0 11 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.904 111.6 50.4 -66.8 -42.4 34.7 3.7 18.5 138 138 A F H X S+ 0 0 5 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.902 109.3 50.9 -64.9 -41.4 31.3 5.1 17.4 139 139 A K H X S+ 0 0 35 -4,-2.7 4,-2.6 2,-0.2 5,-0.2 0.928 110.5 49.9 -60.8 -44.6 32.2 8.6 18.6 140 140 A K H X S+ 0 0 92 -4,-2.0 4,-2.6 -5,-0.2 -2,-0.2 0.945 110.9 50.1 -57.3 -46.8 35.5 8.3 16.6 141 141 A L H X S+ 0 0 4 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.904 112.0 46.2 -58.0 -46.6 33.4 7.2 13.5 142 142 A V H X S+ 0 0 2 -4,-2.7 4,-2.6 1,-0.2 5,-0.3 0.919 114.1 48.3 -64.5 -43.3 30.9 10.1 13.8 143 143 A T H X S+ 0 0 65 -4,-2.6 4,-2.6 2,-0.2 5,-0.3 0.855 110.7 50.5 -67.1 -37.4 33.8 12.7 14.4 144 144 A Q H < S+ 0 0 105 -4,-2.6 4,-0.3 -5,-0.2 -1,-0.2 0.929 115.0 45.4 -64.6 -43.2 35.7 11.3 11.4 145 145 A L H < S+ 0 0 11 -4,-2.3 -2,-0.2 -5,-0.2 5,-0.2 0.895 131.8 15.3 -61.8 -43.3 32.5 11.6 9.3 146 146 A K H >< S+ 0 0 67 -4,-2.6 3,-1.8 -5,-0.1 -3,-0.2 0.612 97.0 88.7-116.2 -17.5 31.4 15.1 10.4 147 147 A G T 3< S+ 0 0 61 -4,-2.6 -3,-0.1 -5,-0.3 -1,-0.1 0.732 92.9 48.7 -61.4 -26.7 34.2 17.0 12.2 148 148 A D T 3 S- 0 0 115 -4,-0.3 -1,-0.3 -5,-0.3 -2,-0.1 0.308 119.2-104.7 -94.4 0.5 35.6 18.5 8.9 149 149 A G < + 0 0 63 -3,-1.8 -2,-0.1 1,-0.3 -3,-0.1 0.503 63.9 159.3 86.4 6.1 32.2 19.7 7.7 150 150 A E - 0 0 70 -5,-0.2 -1,-0.3 1,-0.1 -2,-0.1 -0.369 48.1-107.5 -61.6 133.7 31.7 17.0 5.1 151 151 A H - 0 0 139 1,-0.1 2,-0.7 -2,-0.1 -1,-0.1 -0.327 40.8-105.2 -55.9 141.7 28.1 16.4 4.0 152 152 A F - 0 0 4 -120,-0.2 -1,-0.1 -3,-0.1 3,-0.1 -0.677 37.0-170.9 -77.6 115.9 26.8 13.2 5.4 153 153 A N >> - 0 0 70 -2,-0.7 3,-1.5 1,-0.1 4,-1.4 -0.909 13.2-158.4-105.7 107.4 26.6 10.5 2.7 154 154 A P H 3> S+ 0 0 16 0, 0.0 4,-2.5 0, 0.0 -1,-0.1 0.830 92.7 62.2 -53.3 -31.3 24.8 7.4 3.9 155 155 A N H 3> S+ 0 0 64 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.821 99.9 52.6 -66.8 -29.8 26.6 5.4 1.2 156 156 A K H <> S+ 0 0 75 -3,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.885 108.2 51.1 -67.5 -41.2 30.0 6.2 2.7 157 157 A L H X S+ 0 0 8 -4,-1.4 4,-2.7 2,-0.2 -2,-0.2 0.913 108.0 52.8 -61.1 -42.5 28.6 4.9 6.0 158 158 A K H X S+ 0 0 42 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.938 108.7 49.6 -57.7 -46.2 27.5 1.7 4.2 159 159 A E H X S+ 0 0 139 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.900 111.6 48.9 -59.6 -39.5 31.1 1.2 2.8 160 160 A I H X S+ 0 0 22 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.931 109.9 50.6 -66.9 -45.4 32.6 1.7 6.2 161 161 A L H X S+ 0 0 3 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.905 110.3 50.5 -60.0 -39.1 30.2 -0.8 7.8 162 162 A I H X S+ 0 0 69 -4,-2.4 4,-0.9 2,-0.2 5,-0.5 0.926 111.1 48.7 -66.2 -42.4 31.1 -3.4 5.1 163 163 A K H >< S+ 0 0 103 -4,-2.3 3,-0.9 1,-0.2 -2,-0.2 0.937 114.2 45.4 -57.3 -48.6 34.8 -2.8 5.7 164 164 A L H 3< S+ 0 0 1 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.792 101.1 69.0 -70.0 -27.3 34.3 -3.2 9.5 165 165 A L H 3< S- 0 0 8 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.798 83.2-158.4 -57.2 -34.0 32.1 -6.3 9.1 166 166 A R X< - 0 0 42 -3,-0.9 3,-2.5 -4,-0.9 -3,-0.1 0.943 12.9-176.7 45.4 63.3 35.1 -8.3 7.9 167 167 A S T 3 S+ 0 0 65 -5,-0.5 -42,-0.1 1,-0.3 -1,-0.1 0.624 76.7 68.4 -64.1 -13.0 33.0 -10.9 6.0 168 168 A D T 3 S+ 0 0 104 2,-0.1 2,-0.5 -43,-0.1 -1,-0.3 0.653 88.3 78.7 -76.4 -19.0 36.2 -12.7 5.2 169 169 A L S < S- 0 0 5 -3,-2.5 -44,-0.1 -4,-0.1 2,-0.0 -0.819 76.9-141.9 -98.4 127.7 36.6 -13.6 8.9 170 170 A G > - 0 0 34 -2,-0.5 3,-2.1 1,-0.1 7,-0.1 -0.211 34.2 -91.3 -79.3 174.7 34.5 -16.4 10.3 171 171 A Y G > S+ 0 0 122 1,-0.3 3,-0.7 -48,-0.3 -49,-0.1 0.809 124.4 58.6 -56.4 -32.5 32.9 -16.5 13.7 172 172 A D G 3 S+ 0 0 116 1,-0.3 -1,-0.3 -50,-0.1 3,-0.2 0.279 92.7 69.6 -83.9 10.0 35.9 -18.2 15.3 173 173 A Q G <> + 0 0 79 -3,-2.1 4,-2.3 1,-0.1 -1,-0.3 -0.134 60.9 127.2-111.0 33.2 38.1 -15.2 14.2 174 174 A A H <> + 0 0 1 -3,-0.7 4,-2.8 1,-0.2 5,-0.3 0.863 66.9 54.8 -63.2 -38.1 36.4 -12.9 16.7 175 175 A E H > S+ 0 0 89 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.949 111.7 44.1 -59.9 -49.2 39.7 -11.8 18.4 176 176 A E H > S+ 0 0 99 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.877 113.5 52.5 -62.3 -39.0 41.1 -10.7 15.0 177 177 A W H X S+ 0 0 4 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.941 110.1 45.2 -64.5 -51.1 37.9 -9.1 14.0 178 178 A L H X S+ 0 0 33 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.881 111.8 54.1 -64.3 -35.5 37.5 -6.9 17.1 179 179 A T H X S+ 0 0 94 -4,-2.1 4,-2.9 -5,-0.3 -1,-0.2 0.928 106.8 52.4 -59.1 -41.4 41.2 -6.0 16.9 180 180 A F H X S+ 0 0 47 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.903 109.0 48.7 -63.4 -42.8 40.6 -4.8 13.3 181 181 A I H X S+ 0 0 1 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.960 113.7 46.0 -62.8 -47.8 37.7 -2.6 14.3 182 182 A E H < S+ 0 0 84 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.937 112.8 50.6 -57.9 -48.4 39.7 -1.0 17.2 183 183 A Y H < S+ 0 0 171 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.888 113.8 44.2 -60.3 -45.1 42.7 -0.5 15.0 184 184 A N H < S+ 0 0 51 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.874 137.7 6.0 -66.6 -36.9 40.7 1.2 12.2 185 185 A L < 0 0 9 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.1 0.634 360.0 360.0-109.7 -97.6 38.8 3.3 14.8 186 186 A K 0 0 102 -5,-0.2 -46,-0.2 -52,-0.1 -4,-0.1 0.327 360.0 360.0 128.7 360.0 39.6 3.3 18.5