==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 04-MAY-12 4F0Q . COMPND 2 MOLECULE: RESTRICTION ENDONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM SP.; . AUTHOR J.R.HORTON,M.MABUCHI,D.COHEN-KARNI,X.ZHANG,R.GRIGGS,M.SAMARA . 1800 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 68259.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1176 65.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 108 6.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 278 15.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.4 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 . 13 0.7 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 . 1 0.1 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 . 171 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 158 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 405 22.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 0.9 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 7 4 7 2 5 8 1 2 2 8 2 2 1 0 3 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 9 0 4 4 1 3 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 . 5 10 17 0 10 2 2 1 1 0 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 16 0 0 2 2 0 0 1 0 1 0 0 0 0 0 0 0 0 1 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 5 A K > 0 0 123 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -54.2 35.5 -25.6 1.6 2 6 A A H > + 0 0 82 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.935 360.0 46.1 -68.8 -48.3 35.2 -22.0 2.9 3 7 A D H > S+ 0 0 79 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.848 112.6 52.9 -63.0 -35.3 34.9 -23.0 6.5 4 8 A I H > S+ 0 0 65 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.945 112.9 41.3 -65.8 -50.4 37.8 -25.4 6.2 5 9 A A H X S+ 0 0 63 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.886 116.9 49.7 -65.4 -40.4 40.2 -22.9 4.7 6 10 A W H X S+ 0 0 199 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.931 113.5 44.4 -64.3 -47.6 39.0 -20.2 7.1 7 11 A A H X S+ 0 0 55 -4,-2.5 4,-1.4 2,-0.2 -1,-0.2 0.806 113.1 52.6 -68.4 -30.7 39.4 -22.4 10.2 8 12 A A H X S+ 0 0 36 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.922 110.4 47.2 -68.8 -45.3 42.8 -23.6 8.9 9 13 A S H X S+ 0 0 32 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.919 113.3 48.4 -60.2 -45.3 44.0 -20.0 8.5 10 14 A A H X S+ 0 0 51 -4,-2.5 4,-1.0 1,-0.2 -1,-0.2 0.799 110.7 52.9 -65.1 -29.2 42.7 -19.2 12.0 11 15 A E H < S+ 0 0 133 -4,-1.4 4,-0.3 2,-0.2 -2,-0.2 0.900 110.7 44.7 -73.9 -42.8 44.4 -22.3 13.3 12 16 A V H >< S+ 0 0 28 -4,-2.5 3,-1.0 1,-0.2 -2,-0.2 0.887 112.1 54.3 -65.2 -39.4 47.8 -21.3 11.8 13 17 A A H 3< S+ 0 0 46 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.768 110.0 46.3 -66.2 -26.6 47.3 -17.8 13.0 14 18 A N T 3< S+ 0 0 130 -4,-1.0 -1,-0.2 -3,-0.2 -2,-0.2 0.358 99.8 77.6-101.4 4.5 46.7 -18.9 16.6 15 19 A K S < S- 0 0 139 -3,-1.0 2,-0.2 -4,-0.3 -1,-0.1 -0.961 74.3-136.3-121.6 119.0 49.6 -21.4 16.8 16 20 A P - 0 0 59 0, 0.0 2,-0.4 0, 0.0 -2,-0.1 -0.485 13.6-168.4 -72.6 135.4 53.2 -20.2 17.4 17 21 A R - 0 0 20 -2,-0.2 200,-1.5 30,-0.1 2,-0.4 -0.811 12.5-162.4-125.4 91.9 56.0 -21.8 15.3 18 22 A L E -A 216 0A 63 -2,-0.4 2,-0.5 198,-0.2 198,-0.2 -0.587 6.6-166.4 -82.3 123.5 59.4 -20.7 16.7 19 23 A V E -A 215 0A 1 196,-2.7 196,-2.4 -2,-0.4 2,-0.2 -0.934 14.1-151.8-106.1 129.6 62.5 -21.0 14.6 20 24 A F E > -A 214 0A 53 -2,-0.5 3,-2.1 194,-0.3 2,-0.4 -0.641 28.7 -88.8-102.3 157.8 65.8 -20.7 16.5 21 25 A V T 3 S+ 0 0 21 192,-2.6 154,-0.2 1,-0.3 -1,-0.1 -0.494 117.3 24.3 -65.7 116.5 69.2 -19.5 15.4 22 26 A G T 3 S+ 0 0 31 152,-2.5 -1,-0.3 -2,-0.4 2,-0.1 0.323 83.1 153.5 109.1 -4.5 71.0 -22.5 14.1 23 27 A D < - 0 0 52 -3,-2.1 151,-1.7 151,-0.2 2,-0.7 -0.375 41.9-134.2 -60.4 127.9 68.0 -24.6 13.3 24 28 A E E -B 173 0B 79 149,-0.2 18,-0.7 -2,-0.1 2,-0.4 -0.781 28.1-172.6 -91.0 112.5 68.7 -27.1 10.5 25 29 A L E -Bc 172 42B 2 147,-2.9 147,-2.4 -2,-0.7 2,-0.5 -0.824 23.9-124.9-110.6 142.9 65.9 -26.9 7.9 26 30 A R E -Bc 171 43B 48 16,-2.2 18,-2.3 -2,-0.4 2,-0.6 -0.748 27.4-163.1 -84.0 123.4 65.3 -29.2 4.9 27 31 A Y + 0 0 15 143,-2.3 2,-0.4 -2,-0.5 16,-0.1 -0.928 17.8 163.2-115.1 115.4 65.0 -27.2 1.7 28 32 A A > - 0 0 22 -2,-0.6 3,-1.4 4,-0.1 17,-0.2 -0.996 32.8-146.0-127.8 128.0 63.5 -28.7 -1.4 29 33 A Q T 3 S+ 0 0 61 -2,-0.4 -1,-0.1 1,-0.3 32,-0.0 0.697 105.1 41.4 -64.5 -19.3 62.4 -26.4 -4.3 30 34 A G T 3 S+ 0 0 72 -3,-0.0 -1,-0.3 2,-0.0 -3,-0.0 0.377 88.6 123.4-107.3 0.9 59.6 -28.9 -5.0 31 35 A A < - 0 0 10 -3,-1.4 2,-0.1 1,-0.1 7,-0.0 -0.226 57.9-123.0 -63.0 151.9 58.6 -29.5 -1.4 32 36 A N - 0 0 72 1,-0.1 14,-0.2 25,-0.0 13,-0.2 -0.187 9.0-124.9 -87.7-175.6 55.0 -28.9 -0.3 33 37 A Q S S+ 0 0 37 12,-0.1 18,-3.1 13,-0.1 19,-0.3 0.153 93.8 71.7-117.9 15.5 53.7 -26.6 2.5 34 38 A R S S+ 0 0 75 16,-0.2 2,-0.2 17,-0.1 18,-0.1 0.880 75.8 77.4 -97.7 -52.0 51.7 -29.2 4.4 35 39 A D - 0 0 50 1,-0.1 11,-0.2 15,-0.0 8,-0.1 -0.436 61.1-156.2 -68.6 129.4 54.3 -31.5 6.1 36 40 A V S S+ 0 0 80 -2,-0.2 7,-0.5 6,-0.1 2,-0.3 0.570 81.3 37.7 -80.0 -9.5 55.9 -30.0 9.2 37 41 A E E -D 42 0B 113 5,-0.3 2,-0.3 -12,-0.0 5,-0.3 -0.996 63.4-175.1-144.9 145.0 58.9 -32.2 8.8 38 42 A L E > -D 41 0B 39 3,-5.1 3,-1.5 -2,-0.3 -12,-0.1 -0.955 69.7 -12.0-148.7 124.2 60.9 -33.5 5.8 39 43 A D T 3 S- 0 0 71 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.860 130.0 -49.1 55.0 40.9 63.8 -36.0 5.6 40 44 A G T 3 S+ 0 0 38 1,-0.2 2,-0.3 -14,-0.0 -1,-0.3 0.421 127.5 84.4 83.9 -1.3 64.3 -35.9 9.3 41 45 A F E < S- D 0 38B 26 -3,-1.5 -3,-5.1 -16,-0.0 -1,-0.2 -0.881 90.9 -82.3-131.2 162.1 64.3 -32.1 9.4 42 46 A V E -cD 25 37B 53 -18,-0.7 -16,-2.2 -2,-0.3 -5,-0.3 -0.448 50.0-115.2 -64.8 126.8 61.7 -29.3 9.6 43 47 A N E > -c 26 0B 0 -7,-0.5 4,-1.8 -2,-0.2 3,-0.2 -0.486 18.5-150.3 -66.0 125.1 60.3 -28.5 6.1 44 48 A Y H > S+ 0 0 1 -18,-2.3 4,-2.5 -2,-0.3 5,-0.3 0.936 92.9 52.6 -60.8 -50.9 61.4 -25.0 5.1 45 49 A H H > S+ 0 0 0 -19,-0.3 4,-1.4 1,-0.2 -1,-0.2 0.758 110.4 48.6 -64.3 -26.6 58.3 -24.3 2.9 46 50 A W H 4 S+ 0 0 61 -11,-0.2 -1,-0.2 -14,-0.2 -2,-0.2 0.892 112.2 48.4 -75.0 -42.0 55.9 -25.2 5.7 47 51 A L H < S+ 0 0 8 -4,-1.8 -2,-0.2 1,-0.2 -3,-0.1 0.866 121.3 35.2 -66.4 -37.3 57.8 -23.0 8.2 48 52 A T H < S+ 0 0 3 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.765 140.1 9.5 -89.3 -28.8 57.9 -20.0 5.9 49 53 A S S < S- 0 0 0 -4,-1.4 -1,-0.2 -5,-0.3 -2,-0.2 -0.510 77.2-156.3-154.7 79.0 54.5 -20.5 4.3 50 54 A P > > - 0 0 3 0, 0.0 3,-1.8 0, 0.0 5,-0.6 -0.195 24.8-120.8 -60.2 147.7 52.2 -23.2 5.8 51 55 A G G > 5S+ 0 0 42 -18,-3.1 3,-0.9 1,-0.3 -17,-0.1 0.760 109.3 64.2 -62.3 -28.0 49.6 -24.8 3.6 52 56 A G G 3 5S+ 0 0 28 -19,-0.3 -1,-0.3 1,-0.2 -40,-0.2 0.533 93.5 63.9 -74.2 -5.4 46.8 -23.7 5.9 53 57 A L G < 5S- 0 0 37 -3,-1.8 -1,-0.2 2,-0.1 -2,-0.2 0.670 96.4-138.6 -91.1 -20.4 47.6 -20.1 5.1 54 58 A G T < 5 + 0 0 67 -3,-0.9 -3,-0.1 -4,-0.4 -2,-0.1 0.810 56.4 132.0 67.5 31.5 46.8 -20.4 1.4 55 59 A L < - 0 0 53 -5,-0.6 -1,-0.2 1,-0.1 -2,-0.1 -0.795 60.9-100.1-114.2 155.4 49.8 -18.3 0.4 56 60 A P - 0 0 94 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.192 52.4 -84.5 -63.8 165.3 52.5 -18.9 -2.3 57 61 A K - 0 0 62 1,-0.1 2,-1.1 10,-0.0 -12,-0.1 -0.365 27.6-126.1 -72.1 149.6 55.9 -20.2 -1.2 58 62 A V - 0 0 3 -13,-0.2 -1,-0.1 -3,-0.1 -10,-0.1 -0.794 37.8-144.1 -91.8 90.0 58.7 -18.0 0.0 59 63 A M - 0 0 69 -2,-1.1 2,-0.2 1,-0.1 23,-0.2 -0.246 15.9-163.5 -62.1 140.5 61.3 -19.1 -2.5 60 64 A L + 0 0 0 5,-0.1 3,-0.1 23,-0.0 -1,-0.1 -0.577 24.7 158.4-126.1 68.0 64.9 -19.4 -1.2 61 65 A E - 0 0 101 -2,-0.2 2,-0.3 1,-0.2 23,-0.3 -0.066 57.5 -56.8 -74.1-175.6 67.1 -19.6 -4.3 62 66 A A S S- 0 0 81 21,-0.1 2,-0.4 2,-0.1 -1,-0.2 -0.508 107.9 -9.9 -67.5 126.1 70.8 -18.7 -4.4 63 67 A G E S+E 84 0B 19 21,-1.7 21,-2.6 -2,-0.3 2,-0.5 -0.743 117.1 9.2 98.0-129.7 71.4 -15.2 -3.1 64 68 A I E +E 83 0B 21 -2,-0.4 2,-0.3 19,-0.2 19,-0.2 -0.825 62.8 179.0-104.2 126.9 68.7 -12.6 -2.5 65 69 A N E +E 82 0B 18 17,-2.1 17,-1.8 -2,-0.5 -5,-0.1 -0.918 7.7 173.8-127.5 150.1 65.0 -13.4 -2.5 66 70 A A - 0 0 34 -2,-0.3 15,-0.1 15,-0.2 3,-0.1 -0.908 25.0-129.0-158.4 127.7 61.8 -11.5 -2.0 67 71 A P - 0 0 26 0, 0.0 13,-0.1 0, 0.0 12,-0.1 -0.182 51.8 -71.5 -65.5 165.9 58.1 -12.4 -2.3 68 72 A A - 0 0 88 1,-0.1 11,-0.2 10,-0.1 0, 0.0 -0.313 64.8 -90.9 -61.5 143.0 55.7 -10.2 -4.3 69 73 A E - 0 0 99 9,-0.1 2,-0.5 -3,-0.1 9,-0.2 -0.260 38.4-130.0 -62.4 137.7 54.9 -6.9 -2.6 70 74 A V E -U 77 0C 21 7,-2.5 7,-2.9 153,-0.1 2,-0.9 -0.776 7.7-144.0 -94.0 126.4 51.8 -6.9 -0.3 71 75 A V E -U 76 0C 106 -2,-0.5 5,-0.3 5,-0.3 7,-0.0 -0.788 26.9-170.2 -88.8 105.2 49.2 -4.2 -0.7 72 76 A G - 0 0 11 3,-1.5 157,-0.2 -2,-0.9 155,-0.1 -0.305 36.6-103.5 -88.2 175.4 48.0 -3.4 2.8 73 77 A P S S+ 0 0 89 0, 0.0 3,-0.1 0, 0.0 156,-0.1 0.912 123.0 35.0 -63.3 -44.7 45.1 -1.2 4.0 74 78 A D S S- 0 0 64 1,-0.3 2,-0.3 154,-0.0 155,-0.1 0.941 134.4 -39.9 -75.3 -51.5 47.4 1.6 5.0 75 79 A R - 0 0 59 -5,-0.1 -3,-1.5 2,-0.0 -1,-0.3 -0.973 67.1 -75.8-166.9 170.7 50.0 1.2 2.2 76 80 A S E +U 71 0C 45 -2,-0.3 2,-0.3 -5,-0.3 -5,-0.3 -0.475 50.5 179.1 -77.7 151.1 51.9 -1.3 0.1 77 81 A R E -U 70 0C 2 -7,-2.9 -7,-2.5 -2,-0.1 2,-0.6 -0.998 34.5-118.0-155.5 147.9 54.9 -3.1 1.8 78 82 A R - 0 0 57 70,-0.5 -9,-0.1 -2,-0.3 3,-0.1 -0.805 25.2-152.9 -86.8 120.3 57.6 -5.6 1.2 79 83 A A - 0 0 2 -2,-0.6 2,-0.3 -11,-0.2 -1,-0.2 0.940 59.5 -41.1 -60.8 -53.6 57.1 -8.5 3.7 80 84 A L - 0 0 3 70,-0.2 2,-0.5 -13,-0.1 -1,-0.2 -0.978 44.4-117.7-164.8 169.8 60.7 -9.7 4.0 81 85 A I E - f 0 152B 2 70,-2.5 72,-1.3 -2,-0.3 2,-0.6 -0.974 24.3-155.8-123.0 116.6 63.9 -10.4 2.3 82 86 A A E -Ef 65 153B 0 -17,-1.8 -17,-2.1 -2,-0.5 2,-0.5 -0.819 10.9-165.6 -95.5 118.2 65.2 -14.0 2.4 83 87 A I E -Ef 64 154B 1 70,-2.2 72,-2.2 -2,-0.6 2,-0.6 -0.899 8.6-167.0-110.9 126.5 68.9 -14.4 2.0 84 88 A R E -Ef 63 155B 63 -21,-2.6 -21,-1.7 -2,-0.5 2,-0.3 -0.924 12.5-166.0-113.0 108.5 70.6 -17.7 1.2 85 89 A S E - f 0 156B 5 70,-2.9 72,-2.3 -2,-0.6 25,-0.0 -0.682 11.8-134.8 -96.8 147.4 74.4 -17.6 1.7 86 90 A S - 0 0 71 -2,-0.3 13,-0.2 70,-0.2 72,-0.1 -0.957 48.6 -24.7-163.4 146.1 76.9 -20.2 0.4 87 91 A P + 0 0 94 0, 0.0 2,-2.3 0, 0.0 3,-0.3 -0.985 38.5 175.7-103.2 -11.9 79.2 -21.8 1.0 88 92 A W > - 0 0 39 1,-0.2 3,-0.8 2,-0.1 4,-0.3 -0.291 38.5-154.9 67.5 -50.6 81.3 -20.2 3.8 89 93 A K G > - 0 0 38 -2,-2.3 3,-1.6 1,-0.2 -1,-0.2 0.694 39.8 -80.6 63.4 31.3 83.2 -23.5 3.3 90 94 A A G 3 S- 0 0 96 1,-0.3 -1,-0.2 -3,-0.3 -2,-0.1 0.831 95.4 -46.3 51.1 41.7 84.9 -23.9 6.7 91 95 A G G < S+ 0 0 37 -3,-0.8 182,-1.2 181,-0.1 -1,-0.3 0.671 116.6 108.8 76.6 18.5 87.8 -21.5 6.0 92 96 A H < + 0 0 46 -3,-1.6 2,-0.2 -4,-0.3 -3,-0.1 -0.051 42.5 139.7-113.9 30.5 88.5 -22.9 2.5 93 97 A E - 0 0 13 -5,-0.3 185,-0.3 1,-0.1 184,-0.3 -0.516 35.9-169.9 -78.9 141.0 87.1 -20.0 0.5 94 98 A T + 0 0 89 -2,-0.2 -1,-0.1 183,-0.1 3,-0.0 0.610 68.8 82.9-101.4 -18.8 89.0 -18.8 -2.6 95 99 A N > - 0 0 56 1,-0.1 3,-0.9 95,-0.1 95,-0.1 -0.806 65.7-156.3 -91.5 115.0 86.9 -15.6 -2.9 96 100 A P T 3 S+ 0 0 14 0, 0.0 -1,-0.1 0, 0.0 320,-0.1 0.677 92.2 59.0 -62.2 -19.3 88.2 -12.8 -0.7 97 101 A W T 3 S+ 0 0 16 92,-0.2 2,-0.2 319,-0.0 14,-0.1 -0.289 76.7 138.6-107.4 46.2 84.8 -11.2 -0.8 98 102 A H < - 0 0 67 -3,-0.9 2,-0.2 1,-0.1 11,-0.1 -0.489 65.6 -83.3 -83.4 159.8 82.8 -14.1 0.7 99 103 A D - 0 0 26 -13,-0.2 2,-0.6 -2,-0.2 11,-0.2 -0.429 41.5-145.4 -65.6 132.6 80.1 -13.5 3.2 100 104 A E E -G 109 0B 45 9,-2.2 9,-2.4 -2,-0.2 2,-0.6 -0.896 11.5-162.8-106.4 114.2 81.4 -13.2 6.8 101 105 A F E +G 108 0B 43 -2,-0.6 2,-0.2 7,-0.2 7,-0.2 -0.853 20.8 163.1-101.0 118.3 79.2 -14.7 9.5 102 106 A D E > > +G 107 0B 52 5,-2.1 5,-2.2 -2,-0.6 3,-1.1 -0.636 7.4 160.2-127.8 73.6 79.8 -13.6 13.1 103 107 A L T 3 5 + 0 0 13 1,-0.3 3,-0.3 -2,-0.2 -1,-0.1 0.634 67.7 69.5 -73.9 -14.4 76.5 -14.7 14.8 104 108 A D T 3 5S+ 0 0 38 1,-0.2 155,-2.5 154,-0.1 -1,-0.3 0.778 112.8 30.2 -71.4 -27.1 78.2 -14.6 18.2 105 109 A H T < 5S- 0 0 57 -3,-1.1 -1,-0.2 153,-0.2 -2,-0.2 0.167 114.2-115.2-116.4 14.2 78.4 -10.8 18.0 106 110 A G T 5S+ 0 0 0 -3,-0.3 100,-2.1 1,-0.2 2,-0.4 0.755 73.5 124.5 61.6 29.5 75.3 -10.4 15.8 107 111 A H E < -GH 102 205B 15 -5,-2.2 -5,-2.1 98,-0.2 2,-0.4 -0.969 34.7-177.6-123.5 138.1 77.1 -9.1 12.8 108 112 A V E -GH 101 204B 0 96,-2.3 96,-2.4 -2,-0.4 2,-0.7 -0.976 16.2-151.4-134.6 121.9 77.1 -10.4 9.2 109 113 A R E -GH 100 203B 16 -9,-2.4 -9,-2.2 -2,-0.4 2,-0.4 -0.825 26.0-176.7 -89.1 114.2 79.0 -8.9 6.3 110 114 A Y E - 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0 0 45 -3,-0.7 -3,-0.2 -4,-0.4 -4,-0.1 0.905 37.4-173.9 59.0 49.6 110.8 3.3 33.4 1751 404 D Y < - 0 0 2 -5,-2.7 2,-2.5 -6,-0.2 -1,-0.2 -0.648 26.1-133.5 -76.8 122.1 109.4 -0.0 34.5 1752 405 D P + 0 0 5 0, 0.0 -22,-3.1 0, 0.0 2,-0.4 -0.425 59.5 133.9 -73.1 68.8 108.7 0.0 38.3 1753 406 D V E -w 1730 0a 0 -2,-2.5 2,-0.5 -24,-0.2 -22,-0.2 -0.982 48.6-144.6-128.2 125.6 110.3 -3.3 38.9 1754 407 D V E -w 1731 0a 2 -24,-2.5 -22,-2.7 -2,-0.4 2,-0.4 -0.744 20.2-140.7 -88.3 129.5 112.8 -4.2 41.6 1755 408 D L E +w 1732 0a 40 -510,-0.7 2,-0.4 -2,-0.5 -22,-0.1 -0.770 21.3 178.4 -97.9 131.4 115.5 -6.7 40.6 1756 409 D I E +w 1733 0a 0 -24,-1.9 -22,-2.6 -2,-0.4 -101,-0.1 -0.835 16.0 172.9-131.4 93.7 116.8 -9.5 42.9 1757 410 D A > - 0 0 8 -2,-0.4 4,-2.4 -24,-0.2 5,-0.2 -0.035 51.7 -70.8 -88.8-166.4 119.4 -11.6 41.2 1758 411 D G H > S+ 0 0 0 -22,-1.8 4,-2.4 1,-0.2 -136,-0.2 0.821 127.3 51.1 -58.7 -37.7 121.7 -14.4 42.5 1759 412 D G H > S+ 0 0 19 -138,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.964 114.3 39.7 -66.6 -55.4 123.8 -12.1 44.6 1760 413 D T H > S+ 0 0 48 -139,-0.3 4,-2.7 2,-0.2 5,-0.2 0.878 116.8 52.6 -62.6 -39.4 121.1 -10.3 46.5 1761 414 D L H X S+ 0 0 0 -4,-2.4 4,-2.5 -27,-0.3 -1,-0.2 0.937 111.1 46.5 -60.0 -49.0 119.2 -13.6 46.8 1762 415 D A H X S+ 0 0 0 -4,-2.4 4,-2.7 -5,-0.2 -2,-0.2 0.938 113.7 48.2 -59.3 -49.6 122.2 -15.4 48.2 1763 416 D A H X S+ 0 0 53 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.923 113.6 46.3 -57.9 -48.7 122.9 -12.6 50.7 1764 417 D T H X S+ 0 0 22 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.886 112.7 50.7 -63.3 -40.4 119.3 -12.4 51.9 1765 418 D V H X S+ 0 0 6 -4,-2.5 4,-1.7 -5,-0.2 -2,-0.2 0.922 112.1 46.7 -63.8 -45.1 119.1 -16.1 52.2 1766 419 D R H X S+ 0 0 82 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.943 112.8 49.5 -60.6 -49.4 122.3 -16.3 54.3 1767 420 D R H X S+ 0 0 60 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.883 111.1 49.3 -58.2 -41.2 121.2 -13.4 56.5 1768 421 D M H X S+ 0 0 31 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.795 107.5 55.7 -69.3 -29.1 117.9 -15.1 57.1 1769 422 D V H < S+ 0 0 13 -4,-1.7 6,-0.2 1,-0.2 -2,-0.2 0.906 109.7 45.6 -65.7 -42.2 119.7 -18.3 57.9 1770 423 D Q H < S+ 0 0 139 -4,-2.2 3,-0.3 1,-0.1 -2,-0.2 0.828 109.0 60.3 -68.5 -31.3 121.6 -16.3 60.6 1771 424 D A H < S+ 0 0 83 -4,-1.7 2,-0.5 1,-0.2 -2,-0.2 0.989 120.1 9.4 -60.8 -67.7 118.4 -14.8 61.8 1772 425 D N S < S+ 0 0 136 -4,-1.7 2,-0.3 2,-0.0 -1,-0.2 -0.913 94.0 99.4-124.8 107.0 116.4 -17.9 62.8 1773 426 D Y - 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0 0 27 -2,-0.1 2,-0.5 -122,-0.1 -120,-0.2 -0.954 23.1-137.3-137.5 157.3 97.4 -20.3 48.6 1793 446 D T - 0 0 26 -122,-1.3 2,-1.3 -2,-0.3 -123,-0.1 -0.968 4.1-150.8-122.5 129.1 94.8 -17.6 48.3 1794 447 D H + 0 0 52 -2,-0.5 -801,-0.6 -732,-0.2 2,-0.3 -0.494 57.9 117.3 -92.5 64.5 92.3 -17.2 45.5 1795 448 D R S S- 0 0 42 -2,-1.3 -2,-0.1 -803,-0.1 5,-0.0 -0.939 70.3 -96.5-133.1 153.6 92.0 -13.4 45.7 1796 449 D R > - 0 0 48 -2,-0.3 3,-0.9 1,-0.1 4,-0.2 -0.394 35.5-121.3 -65.8 143.0 92.7 -10.4 43.5 1797 450 D P G > S+ 0 0 38 0, 0.0 3,-2.3 0, 0.0 -98,-0.1 0.886 109.5 58.4 -52.5 -48.9 96.1 -8.7 44.1 1798 451 D E G > S+ 0 0 80 1,-0.3 3,-2.6 2,-0.2 4,-0.3 0.796 88.6 75.3 -55.7 -30.9 94.6 -5.3 44.9 1799 452 D E G X> S+ 0 0 43 -3,-0.9 3,-0.8 1,-0.3 4,-0.7 0.579 72.4 84.6 -59.0 -9.1 92.6 -6.9 47.7 1800 453 D V G <4 S+ 0 0 0 -3,-2.3 -1,-0.3 1,-0.2 3,-0.2 0.707 79.4 65.9 -65.9 -19.3 96.0 -7.0 49.6 1801 454 D I G <4 S+ 0 0 43 -3,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.862 96.3 55.5 -66.4 -35.2 95.1 -3.4 50.5 1802 455 D S T <4 0 0 70 -3,-0.8 -1,-0.2 -4,-0.3 -2,-0.2 0.737 360.0 360.0 -73.8 -25.3 92.2 -4.7 52.6 1803 456 D L < 0 0 89 -4,-0.7 -134,-0.1 -3,-0.2 -3,-0.0 -0.113 360.0 360.0 -94.1 360.0 94.3 -7.1 54.7