==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 25-AUG-11 3ZYT . COMPND 2 MOLECULE: ESTERASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: ARTHROBACTER NITROGUAJACOLICUS; . AUTHOR U.G.WAGNER,S.FETZNER . 372 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14955.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 254 68.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 56 15.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 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 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 14.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 99 26.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.4 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 2 1 0 3 0 0 0 1 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 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 . 4 3 0 3 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 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 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 0 102 0, 0.0 2,-0.6 0, 0.0 44,-0.2 0.000 360.0 360.0 360.0 133.1 115.9 80.0 124.3 2 2 A H E -A 44 0A 83 42,-3.1 42,-1.8 44,-0.0 2,-0.7 -0.915 360.0-167.4 -96.6 122.4 114.9 76.4 125.0 3 3 A S E +A 43 0A 56 -2,-0.6 40,-0.2 40,-0.2 3,-0.2 -0.914 17.2 168.6-111.6 109.8 116.2 74.2 122.2 4 4 A Q E S+ 0 0 107 38,-2.4 2,-0.3 -2,-0.7 -1,-0.2 0.921 74.4 3.5 -82.7 -48.3 114.7 70.8 122.3 5 5 A V E +A 42 0A 43 37,-1.5 37,-2.3 2,-0.0 -1,-0.4 -0.997 54.4 168.1-142.7 136.3 116.0 69.7 118.9 6 6 A I E -A 41 0A 66 -2,-0.3 35,-0.2 35,-0.2 5,-0.1 -0.749 24.0-155.7-144.7 91.2 118.2 71.3 116.2 7 7 A A > - 0 0 24 33,-2.6 3,-2.2 -2,-0.2 4,-0.3 -0.290 40.4 -81.4 -63.6 149.3 119.2 68.8 113.6 8 8 A P T 3 S+ 0 0 113 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.358 120.9 33.7 -55.5 133.3 122.4 69.7 111.7 9 9 A G T 3 S+ 0 0 23 -3,-0.1 4,-0.2 360,-0.0 360,-0.1 -0.036 101.0 81.5 109.7 -23.4 121.7 72.2 109.0 10 10 A F X> + 0 0 3 -3,-2.2 4,-1.6 1,-0.2 3,-0.9 0.421 54.4 105.7 -94.9 4.4 118.9 74.0 110.9 11 11 A E H 3> S+ 0 0 87 -4,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.797 74.4 57.9 -46.6 -39.0 121.2 76.2 113.0 12 12 A P H 3> S+ 0 0 68 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.889 102.9 54.5 -70.2 -28.3 120.4 79.3 111.0 13 13 A V H <> S+ 0 0 0 -3,-0.9 4,-3.2 2,-0.2 5,-0.3 0.956 111.2 45.5 -61.5 -45.4 116.7 78.9 111.9 14 14 A A H X S+ 0 0 12 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.886 110.6 52.8 -65.4 -35.3 117.7 78.7 115.6 15 15 A E H X S+ 0 0 135 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.946 112.2 46.1 -65.4 -43.7 120.0 81.7 115.2 16 16 A L H X S+ 0 0 41 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.964 111.3 49.7 -63.4 -52.5 117.1 83.7 113.6 17 17 A F H X S+ 0 0 0 -4,-3.2 4,-2.2 1,-0.2 -1,-0.2 0.896 110.2 55.7 -52.5 -35.8 114.6 82.5 116.3 18 18 A G H X S+ 0 0 19 -4,-2.3 4,-2.4 -5,-0.3 -2,-0.2 0.910 102.7 51.8 -64.0 -45.6 117.3 83.7 118.8 19 19 A V H X S+ 0 0 76 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.944 109.1 53.0 -51.0 -46.1 117.4 87.2 117.3 20 20 A F H X S+ 0 0 9 -4,-2.3 4,-0.8 1,-0.2 -2,-0.2 0.927 109.4 46.9 -62.6 -45.1 113.7 87.4 117.8 21 21 A L H < S+ 0 0 23 -4,-2.2 3,-0.4 1,-0.2 -1,-0.2 0.876 112.9 49.9 -62.6 -36.9 113.8 86.4 121.4 22 22 A E H < S+ 0 0 168 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.822 104.7 57.8 -70.3 -31.6 116.7 88.9 122.1 23 23 A Q H < S+ 0 0 133 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.696 117.7 26.2 -74.6 -21.5 114.9 91.8 120.4 24 24 A D >< - 0 0 58 -4,-0.8 3,-1.7 -3,-0.4 -1,-0.3 -0.865 60.7-162.9-147.6 107.4 111.8 91.7 122.6 25 25 A P T 3 S+ 0 0 111 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.644 94.8 56.9 -69.8 -10.7 111.9 90.3 126.1 26 26 A D T 3 S+ 0 0 75 20,-0.1 2,-0.3 21,-0.1 22,-0.2 0.600 81.7 110.2 -91.0 -10.2 108.2 90.0 126.1 27 27 A Y < + 0 0 10 -3,-1.7 2,-0.4 -6,-0.2 -3,-0.1 -0.505 42.6 175.9 -74.3 127.9 108.2 87.8 123.0 28 28 A S + 0 0 1 -2,-0.3 317,-3.0 18,-0.2 318,-0.5 -0.994 13.1 134.7-137.9 127.8 107.2 84.1 123.5 29 29 A A E -BC 45 344A 0 16,-1.7 16,-1.4 -2,-0.4 2,-0.3 -0.983 39.7-131.0-161.6 162.9 106.7 81.4 120.9 30 30 A Q E -BC 44 343A 2 313,-2.4 313,-2.7 -2,-0.3 2,-0.3 -0.938 19.6-178.4-116.2 148.4 107.3 78.0 119.7 31 31 A V E +BC 43 342A 0 12,-1.8 12,-2.8 -2,-0.3 2,-0.3 -0.985 9.9 168.0-141.2 137.6 108.6 77.0 116.3 32 32 A A E -BC 42 341A 0 309,-2.8 309,-2.3 -2,-0.3 2,-0.3 -0.996 12.3-168.8-147.2 154.4 109.0 73.4 115.1 33 33 A A E -BC 41 340A 0 8,-2.3 7,-2.7 -2,-0.3 8,-1.8 -0.998 9.0-159.1-144.9 144.3 109.7 71.5 111.8 34 34 A Y E -BC 39 339A 10 305,-2.7 305,-2.1 -2,-0.3 2,-0.4 -0.962 12.2-168.1-114.7 135.6 109.7 67.9 110.7 35 35 A H E > S-BC 38 338A 13 3,-2.7 3,-1.7 -2,-0.4 303,-0.2 -0.993 73.0 -11.5-129.5 124.1 111.6 66.9 107.6 36 36 A R T 3 S- 0 0 147 301,-2.2 302,-0.1 -2,-0.4 -1,-0.1 0.710 130.8 -53.4 56.3 25.6 111.2 63.5 105.9 37 37 A G T 3 S+ 0 0 2 300,-0.4 229,-2.9 1,-0.3 2,-0.4 0.402 118.2 106.0 99.3 1.8 109.2 62.3 108.9 38 38 A V E < S- B 0 35A 75 -3,-1.7 -3,-2.7 227,-0.2 2,-0.3 -0.943 76.5-114.5-119.1 133.3 111.8 63.3 111.5 39 39 A K E + B 0 34A 55 -2,-0.4 -5,-0.3 -5,-0.3 3,-0.1 -0.491 39.2 167.8 -65.6 119.2 111.7 66.3 113.9 40 40 A V E + 0 0 10 -7,-2.7 -33,-2.6 1,-0.3 2,-0.3 0.489 63.4 28.6-112.9 -9.8 114.5 68.5 112.8 41 41 A L E +AB 6 33A 0 -8,-1.8 -8,-2.3 -35,-0.2 -1,-0.3 -0.956 50.6 160.4-154.6 133.4 113.6 71.6 114.9 42 42 A D E +AB 5 32A 14 -37,-2.3 -38,-2.4 -2,-0.3 -37,-1.5 -0.768 22.5 158.3-156.1 98.0 111.7 72.1 118.1 43 43 A L E +AB 3 31A 0 -12,-2.8 -12,-1.8 -2,-0.3 2,-0.3 -0.858 9.3 163.8-125.4 158.3 112.3 75.5 119.8 44 44 A S E +AB 2 30A 2 -42,-1.8 -42,-3.1 -2,-0.3 2,-0.3 -0.959 8.1 147.4-164.3 161.2 110.6 77.7 122.3 45 45 A G E + B 0 29A 10 -16,-1.4 -16,-1.7 -2,-0.3 3,-0.2 -0.959 20.7 87.2 174.2 175.8 111.4 80.6 124.5 46 46 A G S > S- 0 0 34 -2,-0.3 3,-0.7 -18,-0.2 -18,-0.2 -0.107 78.5 -80.1 92.3 164.4 110.2 83.8 126.2 47 47 A P T 3 S+ 0 0 86 0, 0.0 -1,-0.1 0, 0.0 -19,-0.1 0.636 117.3 51.5 -81.3 -10.5 108.5 84.2 129.5 48 48 A H T 3 S+ 0 0 55 -22,-0.2 2,-0.3 -3,-0.2 -20,-0.1 0.339 100.7 57.6-110.8 8.5 104.9 83.3 128.7 49 49 A I < - 0 0 15 -3,-0.7 -20,-0.1 -20,-0.1 -5,-0.0 -0.922 63.0-146.5-135.2 160.8 105.2 79.9 126.9 50 50 A R > - 0 0 103 -2,-0.3 3,-0.8 146,-0.1 -5,-0.1 -0.862 33.9-103.5-123.0 159.9 106.6 76.6 127.9 51 51 A P T 3 S+ 0 0 58 0, 0.0 -47,-0.1 0, 0.0 -1,-0.1 0.839 123.2 20.2 -49.5 -42.6 108.3 73.9 125.7 52 52 A D T 3 S+ 0 0 85 198,-0.1 -22,-0.0 199,-0.1 198,-0.0 0.161 96.4 132.2-113.7 6.7 105.2 71.6 125.6 53 53 A S < - 0 0 0 -3,-0.8 2,-0.3 144,-0.1 144,-0.2 -0.299 44.7-148.5 -50.4 147.6 102.8 74.4 126.6 54 54 A V B +i 197 0B 0 142,-2.5 144,-2.5 196,-0.1 2,-0.3 -0.962 22.6 161.7-124.7 138.1 99.6 74.6 124.4 55 55 A T E -J 249 0C 0 194,-2.3 194,-2.4 -2,-0.3 144,-0.1 -0.896 46.8 -54.1-141.4-176.5 97.5 77.8 123.4 56 56 A G E +J 248 0C 0 142,-0.3 192,-0.2 -2,-0.3 190,-0.1 -0.259 40.0 177.0 -61.4 141.3 95.0 79.2 121.1 57 57 A V > - 0 0 0 190,-2.1 3,-2.0 1,-0.2 -1,-0.1 0.327 19.7-164.7-131.4 1.7 95.9 78.8 117.5 58 58 A F T > + 0 0 1 187,-0.6 3,-3.0 189,-0.5 189,-0.4 -0.086 69.8 10.0 54.6-132.6 92.8 80.2 115.9 59 59 A S T >> S+ 0 0 13 1,-0.3 3,-1.3 2,-0.2 4,-0.7 0.555 107.7 83.9 -68.1 -5.8 92.3 79.4 112.2 60 60 A C H X> S+ 0 0 0 -3,-2.0 4,-1.1 1,-0.3 3,-1.1 0.866 81.0 71.8 -52.6 -29.2 95.2 76.9 112.2 61 61 A S H <> S+ 0 0 0 -3,-3.0 4,-2.3 1,-0.3 -1,-0.3 0.828 85.2 63.3 -51.2 -39.6 92.2 74.8 113.4 62 62 A K H <> S+ 0 0 0 -3,-1.3 4,-2.5 182,-0.5 -1,-0.3 0.852 98.0 55.3 -59.5 -34.3 90.8 75.0 109.9 63 63 A G H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 3,-0.6 0.952 105.5 52.4 -63.3 -42.4 90.6 65.0 103.2 71 71 A L H 3X S+ 0 0 6 -4,-2.5 4,-2.1 1,-0.3 6,-0.2 0.925 108.1 49.8 -55.2 -48.1 90.1 61.6 105.1 72 72 A L H 3<>S+ 0 0 0 -4,-2.0 6,-2.1 2,-0.2 5,-1.9 0.783 111.5 49.5 -61.3 -28.1 86.5 61.5 104.1 73 73 A V H X<5S+ 0 0 26 -4,-1.5 3,-1.0 -3,-0.6 -2,-0.2 0.911 110.3 50.1 -76.0 -44.3 87.5 62.2 100.5 74 74 A Q H 3<5S+ 0 0 58 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.822 108.9 52.8 -59.3 -35.6 90.2 59.4 100.6 75 75 A D T 3<5S- 0 0 67 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.583 114.0-115.8 -77.5 -14.8 87.6 57.0 102.0 76 76 A G T < 5S+ 0 0 66 -3,-1.0 -3,-0.2 -4,-0.4 -2,-0.1 0.585 89.2 111.1 88.5 10.4 85.1 57.7 99.1 77 77 A E S - 0 0 84 -2,-0.5 3,-1.6 1,-0.1 22,-0.4 -0.919 8.0-157.0-113.2 109.2 82.7 63.8 96.9 80 80 A L T 3 S+ 0 0 14 -2,-0.6 22,-2.5 1,-0.3 23,-0.3 0.775 94.2 50.0 -54.8 -28.3 84.0 67.3 96.2 81 81 A E T 3 S+ 0 0 124 20,-0.2 -1,-0.3 19,-0.1 2,-0.0 0.563 91.3 99.8 -92.4 -4.0 82.1 67.6 92.9 82 82 A A S < S- 0 0 8 -3,-1.6 19,-2.2 1,-0.1 20,-0.3 -0.335 83.3 -99.9 -73.9 159.4 78.7 66.5 94.5 83 83 A E B > -L 100 0D 89 17,-0.3 3,-2.0 1,-0.1 4,-0.4 -0.567 25.2-124.3 -78.6 143.4 76.0 68.9 95.5 84 84 A V G >> S+ 0 0 0 15,-2.8 3,-2.6 1,-0.3 4,-2.1 0.910 109.3 68.0 -53.5 -41.4 75.9 69.8 99.2 85 85 A V G 34 S+ 0 0 41 14,-0.4 -1,-0.3 1,-0.3 7,-0.1 0.741 84.3 71.3 -54.1 -20.4 72.2 68.6 99.1 86 86 A K G <4 S+ 0 0 141 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.839 116.6 21.0 -67.3 -27.2 73.3 65.1 98.5 87 87 A Y T <4 S+ 0 0 34 -3,-2.6 -2,-0.2 -4,-0.4 -1,-0.2 0.717 135.7 36.5-105.8 -22.9 74.6 65.0 102.1 88 88 A W >< - 0 0 1 -4,-2.1 3,-2.3 -5,-0.1 4,-0.5 -0.774 63.5-177.6-137.9 76.8 72.5 67.8 103.6 89 89 A P G > S+ 0 0 87 0, 0.0 3,-1.5 0, 0.0 4,-0.1 0.843 80.2 57.0 -58.3 -40.0 68.9 67.9 102.1 90 90 A E G > S+ 0 0 104 1,-0.2 3,-0.8 2,-0.1 -5,-0.1 0.602 91.0 74.1 -63.0 -15.4 67.7 71.0 104.1 91 91 A F G < S+ 0 0 0 -3,-2.3 -1,-0.2 1,-0.2 5,-0.2 0.758 78.8 80.3 -69.0 -25.7 70.6 73.1 102.7 92 92 A G G <>> + 0 0 11 -3,-1.5 4,-0.9 -4,-0.5 5,-0.6 0.628 68.3 100.8 -56.4 -20.8 68.8 73.2 99.3 93 93 A V T X45S+ 0 0 74 -3,-0.8 3,-0.8 41,-0.2 43,-0.0 -0.164 71.6 32.3 -70.0 165.1 66.3 75.9 100.0 94 94 A E T 345S- 0 0 117 1,-0.2 -1,-0.2 43,-0.1 -2,-0.0 0.797 136.2 -53.1 62.4 37.7 66.7 79.6 98.9 95 95 A G T 345S+ 0 0 66 -3,-0.4 3,-0.3 42,-0.1 -1,-0.2 0.628 107.2 117.3 80.1 19.3 68.5 78.7 95.6 96 96 A K T <<5 + 0 0 0 -4,-0.9 3,-0.4 -3,-0.8 -11,-0.3 0.173 34.9 104.7-107.0 18.7 71.4 76.5 97.1 97 97 A S S -L 83 0D 19 -17,-0.3 4,-2.7 -16,-0.1 -17,-0.3 -0.542 20.1-114.4 -91.8 162.7 78.9 71.8 95.4 101 101 A V H > S+ 0 0 0 -19,-2.2 4,-3.1 -22,-0.4 5,-0.2 0.911 119.1 58.3 -56.0 -42.9 80.9 70.6 98.4 102 102 A A H 4 S+ 0 0 0 -22,-2.5 4,-0.3 -20,-0.3 -1,-0.2 0.907 108.6 44.6 -55.2 -45.4 84.0 72.0 96.7 103 103 A Q H >4>S+ 0 0 24 -23,-0.3 5,-2.3 2,-0.2 3,-1.6 0.949 112.4 51.1 -65.0 -50.3 82.3 75.4 96.7 104 104 A L H ><5S+ 0 0 0 -4,-2.7 3,-0.8 1,-0.3 5,-0.3 0.888 113.7 44.8 -50.1 -43.8 81.2 75.1 100.3 105 105 A L T 3<5S+ 0 0 0 -4,-3.1 199,-2.8 1,-0.2 -1,-0.3 0.400 110.3 55.6 -90.9 6.1 84.7 74.2 101.4 106 106 A S T < 5S- 0 0 0 -3,-1.6 -1,-0.2 -4,-0.3 -2,-0.2 -0.013 116.4-102.1-122.6 30.2 86.4 77.0 99.3 107 107 A H T < 5S+ 0 0 0 -3,-0.8 40,-1.7 39,-0.1 3,-0.2 0.685 92.2 114.7 64.1 24.2 84.5 80.0 100.7 108 108 A R < + 0 0 31 -5,-2.3 35,-0.4 38,-0.2 -4,-0.2 0.281 45.2 86.6-107.3 8.9 82.3 80.3 97.6 109 109 A A S S- 0 0 0 -6,-0.4 31,-0.2 -5,-0.3 -1,-0.2 0.712 85.0-133.7 -84.1 -17.6 78.9 79.5 99.2 110 110 A G + 0 0 0 -3,-0.2 29,-3.3 37,-0.2 2,-0.5 0.739 65.3 126.0 70.4 26.2 78.1 83.0 100.2 111 111 A L + 0 0 3 27,-0.2 -1,-0.1 1,-0.2 3,-0.1 -0.660 19.7 153.1-114.2 70.0 76.9 82.0 103.8 112 112 A L - 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0 0 75 -2,-0.4 4,-2.7 1,-0.1 5,-0.2 -0.393 31.7-108.3 -74.0 164.7 97.9 59.3 99.9 277 277 A E H > S+ 0 0 124 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.856 120.0 54.9 -61.4 -34.7 99.5 61.4 97.2 278 278 A E H > S+ 0 0 152 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.893 108.4 46.4 -68.5 -41.1 96.3 61.3 95.3 279 279 A T H > S+ 0 0 7 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.940 111.1 53.6 -64.8 -46.3 94.2 62.6 98.2 280 280 A I H X S+ 0 0 11 -4,-2.7 4,-1.4 1,-0.2 -2,-0.2 0.867 110.4 46.7 -57.5 -34.6 96.8 65.3 98.7 281 281 A R H X S+ 0 0 142 -4,-1.8 4,-0.8 2,-0.2 -1,-0.2 0.899 112.9 49.8 -77.0 -37.5 96.6 66.4 95.0 282 282 A T H < S+ 0 0 57 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.912 116.5 39.5 -57.9 -45.1 92.7 66.4 95.1 283 283 A V H < S+ 0 0 1 -4,-2.4 20,-2.6 1,-0.2 22,-0.3 0.709 118.2 45.5 -88.6 -25.4 92.4 68.5 98.3 284 284 A S H < S+ 0 0 15 -4,-1.4 -1,-0.2 -5,-0.3 -2,-0.2 0.546 81.4 116.8 -97.9 -3.8 95.2 71.0 97.7 285 285 A A S < S- 0 0 48 -4,-0.8 18,-0.2 1,-0.1 33,-0.0 -0.389 83.4 -93.4 -57.9 140.5 94.3 71.6 94.0 286 286 A E + 0 0 107 1,-0.2 16,-0.3 16,-0.1 -1,-0.1 -0.280 45.3 175.6 -54.3 133.9 93.4 75.3 93.8 287 287 A Q + 0 0 36 14,-3.5 2,-0.3 1,-0.4 15,-0.2 0.687 67.2 5.2-109.6 -31.7 89.6 75.9 94.2 288 288 A V E +D 301 0A 7 13,-1.7 13,-2.0 2,-0.0 -1,-0.4 -0.984 52.2 176.3-151.7 149.4 89.7 79.7 94.1 289 289 A F E +D 300 0A 116 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.991 43.5 68.4-147.7 140.0 92.0 82.6 93.6 290 290 A G E S-D 299 0A 20 9,-1.9 9,-2.7 -2,-0.3 2,-0.5 -0.999 85.1 -16.9 152.3-157.9 91.1 86.2 93.5 291 291 A I E -D 298 0A 121 -2,-0.3 2,-0.6 7,-0.2 -145,-0.5 -0.796 59.0-133.0 -91.1 126.5 89.9 89.0 95.7 292 292 A D B > -m 146 0E 5 5,-3.3 4,-2.4 -2,-0.5 -145,-0.3 -0.659 8.0-147.9 -78.1 119.5 88.5 87.9 98.9 293 293 A R T 4 S+ 0 0 134 -147,-2.8 -146,-0.2 -2,-0.6 -1,-0.1 0.611 94.3 48.4 -69.1 -7.0 85.2 89.7 99.5 294 294 A V T 4 S+ 0 0 11 3,-0.1 -1,-0.2 -148,-0.1 -147,-0.1 0.806 122.0 26.9 -99.0 -40.3 85.6 89.7 103.2 295 295 A F T 4 S- 0 0 108 2,-0.2 -2,-0.2 -3,-0.1 3,-0.1 0.588 91.7-133.4 -94.9 -11.0 89.2 90.9 103.6 296 296 A G S < S+ 0 0 50 -4,-2.4 2,-0.2 1,-0.2 -3,-0.1 0.510 74.6 99.6 62.9 12.7 89.4 92.9 100.5 297 297 A E S S- 0 0 102 -5,-0.3 -5,-3.3 1,-0.1 -1,-0.2 -0.596 84.2 -85.1-116.1 178.0 92.9 91.3 99.8 298 298 A T E +D 291 0A 45 -7,-0.2 2,-0.3 -2,-0.2 -7,-0.2 -0.570 49.4 177.9 -90.2 152.9 93.8 88.5 97.4 299 299 A G E -D 290 0A 9 -9,-2.7 -9,-1.9 -2,-0.2 2,-0.3 -0.924 17.3-156.2-148.6 164.3 93.5 85.0 98.7 300 300 A C E -D 289 0A 6 -2,-0.3 7,-1.9 -11,-0.2 2,-0.3 -0.934 14.7-179.6-150.6 133.6 93.9 81.5 97.4 301 301 A F E -DE 288 306A 7 -13,-2.0 -14,-3.5 -2,-0.3 -13,-1.7 -0.968 18.5-167.1-136.9 143.2 92.4 78.2 98.7 302 302 A G S S- 0 0 0 3,-3.3 2,-0.9 -2,-0.3 -18,-0.2 0.066 77.8 -38.3 -87.3-146.3 92.3 74.6 98.0 303 303 A T S S- 0 0 2 -20,-2.6 2,-2.8 -18,-0.2 -197,-0.2 -0.760 124.6 -38.2 -78.8 107.6 89.6 72.5 99.7 304 304 A V S S+ 0 0 0 -199,-2.8 -1,-0.1 -2,-0.9 -20,-0.1 -0.232 121.6 106.5 63.0 -51.2 89.6 74.3 103.1 305 305 A F S S- 0 0 0 -2,-2.8 -3,-3.3 -22,-0.3 2,-0.2 -0.236 71.3-126.1 -56.8 141.4 93.4 74.7 103.0 306 306 A M E -EF 301 321A 36 15,-2.9 15,-1.7 -5,-0.2 2,-0.3 -0.609 25.7-146.9 -75.8 148.8 95.1 78.0 102.2 307 307 A K E - F 0 320A 35 -7,-1.9 2,-0.2 -2,-0.2 -7,-0.2 -0.862 19.9-106.9-116.1 146.6 97.7 77.7 99.3 308 308 A S + 0 0 14 11,-0.7 2,-0.3 8,-0.4 3,-0.0 -0.530 48.1 158.1 -65.6 141.1 100.9 79.7 99.1 309 309 A H B > -P 312 0H 36 3,-1.1 3,-0.6 -2,-0.2 5,-0.1 -0.928 55.0 -85.1-154.4 177.3 100.9 82.5 96.5 310 310 A T T 3 S+ 0 0 138 -2,-0.3 -1,-0.0 1,-0.3 -2,-0.0 0.834 126.5 47.6 -61.3 -44.2 102.9 85.7 96.0 311 311 A R T 3 S+ 0 0 94 1,-0.2 41,-0.4 40,-0.0 -1,-0.3 0.829 128.5 28.5 -66.8 -31.0 100.9 88.0 98.3 312 312 A M B < S+P 309 0H 40 -3,-0.6 2,-2.0 39,-0.1 -3,-1.1 -0.683 76.7 175.7-124.1 75.0 101.0 85.1 101.1 313 313 A P + 0 0 43 0, 0.0 -5,-0.1 0, 0.0 -3,-0.1 -0.452 23.6 139.6 -89.2 74.3 104.3 83.2 100.4 314 314 A F S S- 0 0 7 -2,-2.0 2,-0.2 -5,-0.1 -6,-0.0 0.628 70.7 -12.3 -89.5 -12.9 104.3 80.7 103.3 315 315 A G S S- 0 0 8 -3,-0.3 18,-0.1 1,-0.1 46,-0.0 -0.897 89.8 -47.7-161.0-168.9 105.6 77.7 101.2 316 316 A S > - 0 0 13 -2,-0.2 3,-1.9 1,-0.1 -8,-0.4 -0.225 67.9 -92.9 -63.6 170.6 106.3 76.2 97.8 317 317 A Y T 3 S+ 0 0 177 1,-0.3 -1,-0.1 -10,-0.1 16,-0.0 0.643 130.1 50.5 -61.3 -9.7 103.6 76.4 95.1 318 318 A R T 3 S+ 0 0 73 -11,-0.1 -1,-0.3 2,-0.0 14,-0.1 0.533 83.7 117.4-105.4 -6.7 102.5 73.0 96.4 319 319 A A < - 0 0 0 -3,-1.9 -11,-0.7 14,-0.2 2,-0.4 -0.221 40.8-171.3 -60.3 148.8 102.3 73.8 100.1 320 320 A F E +FG 307 332A 0 12,-2.8 12,-2.6 -13,-0.2 2,-0.3 -0.998 28.1 101.1-145.3 141.1 99.0 73.6 102.0 321 321 A G E -FG 306 331A 0 -15,-1.7 -15,-2.9 -2,-0.4 2,-0.3 -0.872 51.9-104.8-179.3-154.4 98.1 74.7 105.5 322 322 A H E - G 0 330A 1 8,-2.6 8,-2.4 -2,-0.3 2,-0.2 -0.963 16.4-151.9-163.5 148.7 96.4 77.4 107.4 323 323 A D E - G 0 329A 31 -2,-0.3 2,-0.3 6,-0.2 6,-0.3 -0.700 15.5-132.5-115.0 177.6 97.4 80.3 109.6 324 324 A G > - 0 0 8 4,-2.6 3,-2.4 -2,-0.2 -266,-0.1 -0.865 26.9-104.7-132.0 163.5 95.6 82.1 112.4 325 325 A A T 3 S+ 0 0 65 -2,-0.3 23,-0.1 1,-0.3 25,-0.1 0.663 119.1 58.4 -57.3 -27.1 94.8 85.7 113.5 326 326 A S T 3 S- 0 0 0 21,-0.1 22,-1.6 -269,-0.1 -1,-0.3 0.623 125.1-102.3 -73.7 -13.8 97.5 85.5 116.2 327 327 A A S < S+ 0 0 3 -3,-2.4 24,-0.2 1,-0.3 -2,-0.2 0.360 73.1 149.7 89.5 6.5 100.1 84.8 113.4 328 328 A S - 0 0 0 16,-0.1 -4,-2.6 15,-0.1 -1,-0.3 -0.389 24.6-173.1 -62.2 152.1 100.2 81.1 114.2 329 329 A L E +GH 323 342A 1 13,-2.0 13,-1.5 -6,-0.3 2,-0.3 -0.975 15.0 171.2-156.1 126.0 101.0 79.1 111.0 330 330 A G E +GH 322 341A 0 -8,-2.4 -8,-2.6 -2,-0.3 2,-0.3 -0.996 12.6 148.3-136.2 146.8 101.1 75.5 110.2 331 331 A F E -GH 321 340A 0 9,-1.8 9,-2.9 -2,-0.3 2,-0.4 -0.983 37.9-127.4-162.8 164.5 101.5 73.7 106.9 332 332 A A E -GH 320 339A 0 -12,-2.6 -12,-2.8 -2,-0.3 7,-0.2 -0.943 21.6-164.9-105.8 140.8 102.7 70.7 105.0 333 333 A D E > > - H 0 338A 0 5,-2.4 5,-2.2 -2,-0.4 3,-0.8 -0.899 7.9-167.4-130.9 107.0 104.9 71.3 101.9 334 334 A P G > 5S+ 0 0 20 0, 0.0 3,-0.6 0, 0.0 -1,-0.1 0.781 87.1 60.5 -62.0 -29.0 105.4 68.4 99.6 335 335 A V G 3 5S+ 0 0 54 1,-0.2 -2,-0.0 2,-0.1 -20,-0.0 0.894 118.3 29.9 -68.0 -35.2 108.2 70.0 97.7 336 336 A Y G < 5S- 0 0 56 -3,-0.8 -1,-0.2 2,-0.1 -300,-0.2 0.253 103.2-124.9-105.4 8.0 110.3 70.1 100.9 337 337 A E T < 5 + 0 0 78 -3,-0.6 -301,-2.2 -4,-0.4 2,-0.4 0.934 63.2 155.6 41.1 52.1 108.8 67.0 102.6 338 338 A L E < -CH 35 333A 0 -5,-2.2 -5,-2.4 -303,-0.2 2,-0.4 -0.871 45.1-170.8-117.8 139.2 108.0 69.4 105.4 339 339 A G E -CH 34 332A 0 -305,-2.1 -305,-2.7 -2,-0.4 2,-0.4 -0.997 26.4-174.2-117.2 130.8 105.6 69.7 108.3 340 340 A F E +CH 33 331A 0 -9,-2.9 -9,-1.8 -2,-0.4 2,-0.3 -0.962 12.0 176.4-131.3 142.6 105.9 73.2 109.8 341 341 A G E +CH 32 330A 0 -309,-2.3 -309,-2.8 -2,-0.4 2,-0.3 -0.998 3.5 175.3-144.7 140.3 104.4 74.8 112.9 342 342 A Y E -CH 31 329A 0 -13,-1.5 -13,-2.0 -2,-0.3 -311,-0.2 -0.981 3.8-179.6-144.2 138.3 104.8 78.1 114.6 343 343 A V E -C 30 0A 0 -313,-2.7 -313,-2.4 -2,-0.3 2,-0.3 -0.930 9.1-162.5-143.5 108.8 102.8 79.4 117.6 344 344 A P E -C 29 0A 0 0, 0.0 -315,-0.3 0, 0.0 -16,-0.1 -0.724 14.9-146.2 -87.7 151.6 103.2 82.8 119.2 345 345 A Q S S+ 0 0 0 -317,-3.0 -144,-2.4 -2,-0.3 2,-0.4 0.709 86.8 49.2 -90.1 -22.3 101.8 83.3 122.7 346 346 A T B S-n 201 0F 37 -318,-0.5 -144,-0.2 -146,-0.2 -1,-0.1 -0.962 100.3-101.1-113.9 137.0 100.9 87.0 122.1 347 347 A A + 0 0 32 -146,-2.2 -144,-0.2 -2,-0.4 -20,-0.2 -0.267 54.0 166.2 -55.4 133.9 99.0 88.2 119.0 348 348 A E - 0 0 23 -22,-1.6 2,-0.1 -23,-0.1 -20,-0.1 -0.931 43.1 -77.8-145.5 163.2 101.5 89.7 116.5 349 349 A P - 0 0 100 0, 0.0 7,-0.4 0, 0.0 6,-0.3 -0.473 49.2-165.5 -66.3 144.0 101.5 90.7 112.8 350 350 A G + 0 0 38 4,-0.1 2,-0.2 -2,-0.1 -22,-0.1 -0.878 38.2 55.7-126.3 161.8 101.8 87.7 110.4 351 351 A G S > S+ 0 0 2 -2,-0.3 3,-2.4 -24,-0.2 6,-0.7 -0.715 90.8 5.8 113.7-170.2 102.6 87.5 106.7 352 352 A V T 3 S+ 0 0 90 -41,-0.4 3,-0.1 1,-0.3 4,-0.1 -0.176 132.3 11.0 -51.0 136.2 105.5 88.7 104.5 353 353 A G T 3 S+ 0 0 61 1,-0.3 -1,-0.3 2,-0.1 2,-0.1 0.278 105.2 116.2 79.9 -11.8 108.3 90.2 106.5 354 354 A C S <> S- 0 0 32 -3,-2.4 4,-3.0 1,-0.1 -1,-0.3 -0.418 83.3-104.7 -91.9 162.6 106.8 89.0 109.8 355 355 A R H > S+ 0 0 54 -6,-0.3 4,-3.0 1,-0.2 5,-0.3 0.927 118.4 59.2 -50.0 -48.0 108.4 86.4 112.2 356 356 A N H > S+ 0 0 0 -7,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.934 113.2 32.9 -35.3 -72.7 105.9 83.8 111.0 357 357 A F H > S+ 0 0 9 -6,-0.7 4,-2.8 1,-0.2 -1,-0.2 0.856 114.9 60.2 -67.3 -33.0 106.9 83.9 107.4 358 358 A Q H X S+ 0 0 75 -4,-3.0 4,-2.9 -7,-0.3 -1,-0.2 0.934 108.8 43.9 -60.3 -45.3 110.6 84.6 108.2 359 359 A L H X S+ 0 0 0 -4,-3.0 4,-2.2 2,-0.2 -2,-0.2 0.922 114.6 48.5 -67.2 -43.8 110.7 81.3 110.2 360 360 A S H X S+ 0 0 0 -4,-2.5 4,-1.9 -5,-0.3 -2,-0.2 0.920 114.2 47.3 -59.5 -42.2 108.9 79.4 107.5 361 361 A S H X S+ 0 0 53 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.912 109.0 52.6 -68.7 -43.4 111.2 80.8 104.9 362 362 A A H X S+ 0 0 15 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.915 109.4 51.0 -63.8 -36.1 114.3 80.1 106.8 363 363 A V H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.908 111.5 45.9 -62.0 -45.4 113.3 76.5 107.2 364 364 A R H X S+ 0 0 39 -4,-1.9 4,-3.0 1,-0.2 -1,-0.2 0.877 108.7 56.4 -70.2 -36.8 112.6 76.0 103.5 365 365 A E H X S+ 0 0 145 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.929 106.1 50.6 -61.6 -43.3 115.9 77.7 102.6 366 366 A V H X S+ 0 0 17 -4,-2.1 4,-0.7 1,-0.2 3,-0.5 0.975 113.8 45.1 -56.7 -52.7 117.8 75.1 104.8 367 367 A I H >< S+ 0 0 13 -4,-2.2 3,-1.3 1,-0.3 -2,-0.2 0.908 108.7 54.4 -64.5 -40.3 116.1 72.3 103.1 368 368 A A H >< S+ 0 0 44 -4,-3.0 3,-1.3 1,-0.2 -1,-0.3 0.840 102.0 61.8 -55.6 -36.1 116.5 73.7 99.6 369 369 A G H >< S+ 0 0 50 -4,-1.8 3,-0.9 -3,-0.5 -1,-0.2 0.692 83.6 77.6 -61.3 -20.6 120.3 73.9 100.5 370 370 A F T << + 0 0 82 -3,-1.3 -1,-0.3 -4,-0.7 -2,-0.2 0.537 62.5 101.5 -73.5 -4.8 120.4 70.1 100.9 371 371 A A T < 0 0 102 -3,-1.3 -1,-0.2 -4,-0.1 -2,-0.1 0.878 360.0 360.0 -38.5 -57.1 120.4 69.9 97.0 372 372 A A < 0 0 154 -3,-0.9 -2,-0.1 0, 0.0 -3,-0.1 0.828 360.0 360.0 -86.9 360.0 124.2 69.2 97.3