==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 07-MAR-13 4JJA . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES FRAGILIS; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 353 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15209.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 221 62.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 7.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 25 7.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 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 . 24 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 57 16.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 74 21.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 1 1 0 4 1 0 3 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 3 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 PARALLEL BRIDGES PER LADDER . 7 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 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 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 22 A S 0 0 143 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-169.7 15.7 -0.4 44.3 2 23 A D - 0 0 140 1,-0.2 187,-0.1 187,-0.0 185,-0.1 -0.116 360.0 -90.7 -75.7 153.4 12.8 2.0 44.4 3 24 A V - 0 0 25 1,-0.1 2,-0.6 183,-0.1 185,-0.2 -0.356 32.0-154.6 -57.4 136.5 12.8 5.6 45.5 4 25 A I B -A 187 0A 57 183,-2.4 183,-2.5 -3,-0.1 -1,-0.1 -0.954 18.0-143.2-113.1 110.9 12.0 6.1 49.2 5 26 A I >> - 0 0 8 -2,-0.6 3,-1.0 181,-0.2 4,-0.6 -0.238 22.9-106.8 -71.3 162.1 10.6 9.6 49.6 6 27 A G G >4 S+ 0 0 0 119,-2.7 3,-1.5 1,-0.2 6,-0.1 0.890 116.5 59.2 -53.3 -46.5 11.4 11.8 52.6 7 28 A A G 34 S+ 0 0 2 118,-0.4 -1,-0.2 1,-0.3 3,-0.1 0.747 99.2 58.3 -63.5 -23.1 7.9 11.3 54.1 8 29 A E G <4 S+ 0 0 94 -3,-1.0 2,-1.7 1,-0.2 -1,-0.3 0.690 87.1 80.2 -73.6 -21.8 8.3 7.5 54.3 9 30 A Q XX + 0 0 27 -3,-1.5 3,-1.5 -4,-0.6 4,-0.9 -0.421 53.6 159.3 -89.0 59.9 11.4 7.8 56.5 10 31 A T H 3> + 0 0 46 -2,-1.7 4,-2.8 1,-0.3 3,-0.5 0.829 68.0 60.6 -59.2 -32.2 9.5 8.4 59.7 11 32 A K H 34 S+ 0 0 193 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.822 102.7 55.5 -67.8 -21.1 12.5 7.4 61.9 12 33 A A H <4 S+ 0 0 48 -3,-1.5 -1,-0.2 -6,-0.1 -2,-0.2 0.816 124.4 16.7 -76.1 -30.5 14.4 10.3 60.4 13 34 A Y H >X S+ 0 0 0 -4,-0.9 4,-1.4 -3,-0.5 3,-0.8 0.647 97.3 86.7-124.9 -14.8 11.9 13.0 61.2 14 35 A F H >X S+ 0 0 37 -4,-2.8 4,-1.3 1,-0.3 3,-0.6 0.928 94.4 52.6 -53.7 -40.5 9.5 11.9 63.9 15 36 A P H 34 S+ 0 0 93 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.826 104.1 56.2 -66.1 -29.1 12.0 13.0 66.6 16 37 A I H <4 S+ 0 0 49 -3,-0.8 -2,-0.2 1,-0.2 -3,-0.1 0.860 111.3 44.1 -63.8 -36.6 12.2 16.4 65.0 17 38 A L H X< S+ 0 0 0 -4,-1.4 3,-2.3 -3,-0.6 30,-0.3 0.644 82.5 123.1 -87.3 -17.0 8.5 16.9 65.3 18 39 A K T 3< S- 0 0 84 -4,-1.3 3,-0.1 1,-0.3 28,-0.1 -0.207 87.4 -2.0 -53.6 129.4 8.1 15.6 68.9 19 40 A N T 3 S+ 0 0 162 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.506 105.9 122.3 68.2 11.2 6.5 18.1 71.2 20 41 A K < - 0 0 57 -3,-2.3 27,-0.6 67,-0.0 2,-0.5 -0.707 67.9-120.4-102.6 151.6 6.3 20.7 68.4 21 42 A R E -b 47 0B 80 -2,-0.3 66,-2.6 -3,-0.1 67,-1.8 -0.811 42.5-152.7 -85.1 127.4 3.2 22.5 67.1 22 43 A I E -bc 48 88B 0 25,-2.8 27,-3.0 -2,-0.5 28,-1.1 -0.865 22.8-174.2-119.0 131.0 3.2 21.6 63.4 23 44 A A E -bc 50 89B 0 65,-2.5 67,-2.8 -2,-0.4 2,-0.4 -0.912 16.6-150.7-110.3 153.0 1.9 23.2 60.2 24 45 A I E -bc 51 90B 0 26,-1.8 28,-3.5 -2,-0.3 2,-0.6 -0.983 10.6-157.4-126.3 135.9 2.0 21.4 56.9 25 46 A F E +bc 52 91B 0 65,-3.3 67,-2.4 -2,-0.4 2,-0.3 -0.965 52.0 106.5-106.4 113.3 2.3 22.9 53.3 26 47 A S - 0 0 3 26,-2.0 2,-0.2 -2,-0.6 67,-0.2 -0.908 45.5-151.5-165.3-176.1 0.8 20.2 51.0 27 48 A N > - 0 0 1 65,-0.5 3,-2.2 -2,-0.3 31,-0.2 -0.789 60.2 -52.6-152.1-159.4 -2.0 19.1 48.8 28 49 A H T 3 S+ 0 0 45 1,-0.3 3,-0.1 -2,-0.2 65,-0.1 0.615 127.4 63.9 -65.0 -14.1 -3.6 15.9 47.7 29 50 A T T 3 S+ 0 0 3 1,-0.2 2,-1.8 172,-0.1 -1,-0.3 0.578 76.2 92.0 -82.6 -9.3 -0.2 14.6 46.5 30 51 A G < + 0 0 0 -3,-2.2 7,-2.7 28,-0.1 2,-0.3 -0.263 65.2 126.3 -83.9 54.8 1.3 14.6 50.1 31 52 A X E -G 36 0C 61 -2,-1.8 2,-0.4 5,-0.2 5,-0.2 -0.712 49.8-163.5-117.0 151.2 0.3 11.0 50.7 32 53 A V E > S-G 35 0C 46 3,-2.1 3,-1.7 -2,-0.3 8,-0.1 -0.981 83.0 -35.9-127.7 118.1 1.9 7.9 51.8 33 54 A G T 3 S- 0 0 64 -2,-0.4 -2,-0.0 1,-0.2 0, 0.0 -0.342 123.2 -30.2 53.5-139.7 -0.5 5.1 50.9 34 55 A N T 3 S+ 0 0 138 -3,-0.1 2,-0.4 2,-0.1 -1,-0.2 0.180 121.5 88.1 -96.5 21.8 -4.2 6.3 51.3 35 56 A K E < S-G 32 0C 77 -3,-1.7 -3,-2.1 4,-0.0 2,-0.2 -0.931 75.0-128.9-115.5 137.4 -3.3 8.7 54.2 36 57 A H E >> -G 31 0C 6 -2,-0.4 4,-2.1 -5,-0.2 3,-0.9 -0.508 33.2-110.4 -70.9 150.2 -2.3 12.3 53.9 37 58 A L H 3> S+ 0 0 0 -7,-2.7 4,-2.8 1,-0.2 5,-0.2 0.896 123.2 63.8 -43.7 -40.2 0.9 13.1 55.9 38 59 A L H 3> S+ 0 0 0 -8,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.911 103.5 44.6 -52.5 -45.8 -1.6 15.0 58.0 39 60 A D H <> S+ 0 0 15 -3,-0.9 4,-2.7 2,-0.2 -1,-0.2 0.908 111.8 51.6 -69.0 -41.5 -3.4 11.7 59.0 40 61 A I H X S+ 0 0 18 -4,-2.1 4,-1.2 2,-0.2 -2,-0.2 0.929 111.6 47.5 -62.7 -43.5 -0.2 9.8 59.6 41 62 A L H ><>S+ 0 0 0 -4,-2.8 5,-2.5 -5,-0.2 3,-0.5 0.940 112.9 47.2 -67.1 -44.0 1.1 12.6 62.0 42 63 A L H ><5S+ 0 0 53 -4,-2.2 3,-1.9 -5,-0.2 -2,-0.2 0.910 109.4 54.2 -63.9 -38.0 -2.2 12.8 63.9 43 64 A E H 3<5S+ 0 0 111 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.755 106.9 52.5 -66.1 -24.4 -2.4 9.0 64.2 44 65 A N T <<5S- 0 0 74 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.136 123.9-106.9 -96.1 15.0 1.1 9.1 65.8 45 66 A N T < 5 + 0 0 153 -3,-1.9 2,-0.3 1,-0.2 -3,-0.2 0.642 67.2 151.3 68.7 24.8 -0.1 11.8 68.3 46 67 A F < - 0 0 19 -5,-2.5 2,-1.4 -6,-0.2 -1,-0.2 -0.596 51.4-117.3 -82.1 149.9 1.7 14.7 66.7 47 68 A N E -b 21 0B 90 -27,-0.6 -25,-2.8 -30,-0.3 2,-0.6 -0.649 34.5-179.4 -92.2 86.1 0.1 18.1 67.2 48 69 A V E +b 22 0B 8 -2,-1.4 -25,-0.2 -27,-0.2 3,-0.1 -0.795 5.9 171.7 -88.7 121.7 -0.8 19.4 63.7 49 70 A V E + 0 0 31 -27,-3.0 2,-0.3 -2,-0.6 -26,-0.2 0.558 56.8 9.1-109.6 -15.6 -2.4 22.8 64.1 50 71 A A E -b 23 0B 4 -28,-1.1 -26,-1.8 20,-0.1 2,-0.4 -0.977 50.9-149.5-164.8 148.9 -2.7 24.0 60.5 51 72 A I E -bd 24 72B 6 20,-2.3 22,-3.6 -2,-0.3 2,-0.5 -0.997 9.8-158.8-124.3 131.3 -2.4 23.1 56.9 52 73 A F E -bd 25 73B 4 -28,-3.5 -26,-2.0 -2,-0.4 22,-0.2 -0.911 16.5-174.5-101.8 131.1 -1.4 25.5 54.1 53 74 A S E - d 0 74B 2 20,-2.5 22,-1.7 -2,-0.5 -26,-0.1 -0.969 34.2-146.7-126.7 142.6 -2.5 24.6 50.6 54 75 A P S S+ 0 0 26 0, 0.0 2,-0.1 0, 0.0 -27,-0.1 0.542 100.9 35.0 -76.4 -11.0 -1.8 26.1 47.2 55 76 A E S S- 0 0 84 19,-0.0 20,-0.3 -3,-0.0 -2,-0.2 -0.056 121.7 -70.0-107.4-140.0 -5.4 24.8 46.3 56 77 A H S S- 0 0 94 1,-0.5 2,-0.3 18,-0.1 -3,-0.2 0.967 100.3 -38.1 -77.5 -63.2 -8.4 24.7 48.7 57 78 A G > - 0 0 12 -5,-0.1 3,-0.9 -3,-0.1 -1,-0.5 -0.920 64.2 -91.6-161.3 174.7 -7.2 22.0 51.0 58 79 A F T 3 S+ 0 0 7 -2,-0.3 -31,-0.1 1,-0.3 -28,-0.1 0.116 101.2 83.4 -91.9 12.0 -5.4 18.8 50.6 59 80 A R T 3 S- 0 0 80 -23,-0.0 -1,-0.3 -31,-0.0 -32,-0.0 0.298 96.4-121.7-102.9 7.1 -8.4 16.4 50.2 60 81 A G < 0 0 57 -3,-0.9 -2,-0.1 1,-0.1 -33,-0.0 0.613 360.0 360.0 68.1 22.0 -8.7 17.1 46.5 61 82 A N 0 0 114 -4,-0.3 -1,-0.1 0, 0.0 -3,-0.0 -0.603 360.0 360.0 59.4 360.0 -12.3 18.3 47.0 62 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 63 92 A T 0 0 144 0, 0.0 9,-1.7 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 11.5 -11.4 26.6 56.2 64 93 A I B -H 71 0D 98 7,-0.3 2,-0.4 -14,-0.0 6,-0.1 -0.987 360.0-117.9-139.9 135.2 -11.3 23.5 58.5 65 94 A D > - 0 0 5 5,-3.1 4,-3.0 -2,-0.3 5,-0.1 -0.592 20.8-155.1 -71.8 126.7 -10.5 19.9 57.6 66 95 A S T 4 S+ 0 0 127 -2,-0.4 -1,-0.1 1,-0.2 0, 0.0 0.729 89.8 53.5 -81.5 -25.1 -13.7 17.8 58.3 67 96 A K T 4 S+ 0 0 129 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.838 132.7 10.1 -72.7 -31.5 -11.9 14.4 58.8 68 97 A T T 4 S- 0 0 42 2,-0.1 -2,-0.2 -26,-0.0 -1,-0.1 0.541 89.7-123.7-125.4 -15.5 -9.5 16.0 61.4 69 98 A G < + 0 0 46 -4,-3.0 -3,-0.1 1,-0.2 3,-0.0 0.531 59.4 144.4 74.5 4.7 -10.7 19.5 62.4 70 99 A V - 0 0 8 -5,-0.1 -5,-3.1 -6,-0.1 -1,-0.2 -0.620 57.4-108.2 -72.9 131.5 -7.3 21.1 61.5 71 100 A P B -H 64 0D 42 0, 0.0 -20,-2.3 0, 0.0 2,-0.5 -0.332 29.7-144.3 -60.9 143.7 -7.7 24.6 60.0 72 101 A I E -d 51 0B 19 -9,-1.7 2,-0.5 -22,-0.2 -20,-0.2 -0.958 12.8-166.0-115.8 122.7 -7.0 24.8 56.2 73 102 A L E -d 52 0B 46 -22,-3.6 -20,-2.5 -2,-0.5 2,-0.1 -0.918 9.3-146.3-119.7 112.8 -5.3 27.9 54.8 74 103 A S E d 53 0B 78 -2,-0.5 -18,-0.1 -22,-0.2 -17,-0.1 -0.481 360.0 360.0 -73.4 148.0 -5.2 28.7 51.0 75 104 A L 0 0 73 -22,-1.7 31,-0.1 -20,-0.3 -1,-0.1 -0.629 360.0 360.0-114.5 360.0 -2.2 30.6 49.6 76 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 77 111 A K 0 0 98 0, 0.0 2,-0.2 0, 0.0 33,-0.1 0.000 360.0 360.0 360.0 165.2 1.8 34.9 52.7 78 112 A P - 0 0 19 0, 0.0 -3,-0.0 0, 0.0 -26,-0.0 -0.621 360.0-104.3 -85.0 153.3 0.3 33.7 56.0 79 113 A S > - 0 0 65 -2,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.297 27.0-113.7 -70.0 158.1 -1.1 36.1 58.7 80 114 A E H > S+ 0 0 106 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.903 118.9 57.3 -55.4 -43.2 0.9 37.0 61.9 81 115 A A H 4 S+ 0 0 58 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.915 108.0 46.1 -56.1 -44.2 -1.9 35.2 63.8 82 116 A S H >4 S+ 0 0 19 1,-0.2 3,-1.4 2,-0.2 4,-0.4 0.911 108.6 55.1 -69.5 -40.4 -1.2 32.0 61.8 83 117 A X H >< S+ 0 0 0 -4,-2.2 3,-0.9 1,-0.3 -1,-0.2 0.845 103.6 56.4 -62.0 -33.7 2.5 32.2 62.2 84 118 A K T 3< S+ 0 0 113 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.667 94.6 69.5 -69.6 -15.7 2.2 32.3 65.9 85 119 A K T < S+ 0 0 106 -3,-1.4 2,-0.3 -4,-0.5 -1,-0.2 0.614 99.0 45.0 -80.8 -18.2 0.3 29.1 66.1 86 120 A F < - 0 0 0 -3,-0.9 -64,-0.2 -4,-0.4 3,-0.1 -0.903 50.2-159.2-132.6 160.2 3.1 26.7 65.1 87 121 A D S S+ 0 0 47 -66,-2.6 33,-1.5 -2,-0.3 2,-0.4 0.708 84.2 26.3-100.6 -33.2 6.8 26.0 65.7 88 122 A I E -ce 22 120B 2 -67,-1.8 -65,-2.5 31,-0.2 2,-0.5 -0.995 62.3-151.0-141.2 135.7 7.7 24.0 62.6 89 123 A L E -ce 23 121B 0 31,-2.5 33,-2.9 -2,-0.4 2,-0.5 -0.961 13.9-152.8-106.9 127.8 6.3 24.0 59.0 90 124 A I E -ce 24 122B 0 -67,-2.8 -65,-3.3 -2,-0.5 2,-0.5 -0.888 1.1-156.2 -99.2 128.2 6.6 20.8 57.0 91 125 A V E +ce 25 123B 2 31,-2.6 33,-2.9 -2,-0.5 2,-0.2 -0.903 26.5 155.3 -97.4 123.6 6.7 21.0 53.2 92 126 A D + 0 0 0 -67,-2.4 -65,-0.5 -2,-0.5 2,-0.3 -0.709 21.4 127.7-148.7 95.9 5.5 17.7 51.5 93 127 A I - 0 0 6 31,-0.3 2,-0.6 -2,-0.2 33,-0.2 -0.996 55.1-115.8-156.4 145.2 4.2 18.2 48.0 94 128 A Q - 0 0 6 -2,-0.3 2,-0.2 31,-0.1 -65,-0.1 -0.788 34.7-175.2 -94.6 117.8 4.8 16.7 44.6 95 129 A D - 0 0 5 -2,-0.6 7,-0.0 32,-0.3 65,-0.0 -0.471 25.0-143.8 -99.1 171.6 6.3 19.2 42.0 96 130 A V - 0 0 0 -2,-0.2 32,-0.1 2,-0.2 -1,-0.1 0.417 43.8-111.3-120.4 -0.8 6.9 18.8 38.2 97 131 A G + 0 0 0 1,-0.2 59,-0.8 4,-0.1 60,-0.5 0.764 68.9 127.8 83.7 28.2 10.2 20.8 37.8 98 132 A L B > -I 155 0E 0 57,-0.2 3,-1.7 3,-0.2 -1,-0.2 -0.937 60.0-135.0-120.5 142.3 9.1 23.8 35.8 99 133 A R T 3 S+ 0 0 0 55,-2.8 50,-0.4 -2,-0.4 51,-0.1 0.802 109.4 50.7 -59.8 -29.1 9.7 27.5 36.5 100 134 A F T 3 S+ 0 0 12 54,-0.3 2,-0.6 48,-0.1 -1,-0.3 0.336 86.8 90.6 -97.9 10.3 6.1 28.2 35.5 101 135 A Y S X S- 0 0 15 -3,-1.7 3,-0.6 1,-0.1 -3,-0.2 -0.954 74.2-151.2-105.7 118.4 4.6 25.5 37.8 102 136 A T T >> + 0 0 57 -2,-0.6 4,-1.5 1,-0.2 3,-1.2 0.209 65.0 99.7 -93.3 3.8 4.1 27.6 40.9 103 137 A Y H 3> S+ 0 0 6 1,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.877 84.4 58.3 -59.4 -34.5 4.3 25.6 44.1 104 138 A Y H <> S+ 0 0 1 -3,-0.6 4,-2.5 2,-0.2 -1,-0.3 0.791 100.8 57.0 -66.1 -26.4 7.9 26.7 44.7 105 139 A I H <> S+ 0 0 25 -3,-1.2 4,-2.1 2,-0.2 -1,-0.2 0.941 107.8 47.2 -70.0 -39.4 6.7 30.4 44.7 106 140 A S H X S+ 0 0 18 -4,-1.5 4,-2.1 1,-0.2 -2,-0.2 0.895 111.5 51.9 -61.7 -41.8 4.3 29.5 47.5 107 141 A X H X S+ 0 0 1 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.923 107.7 50.7 -63.1 -42.7 7.3 27.8 49.2 108 142 A V H X S+ 0 0 19 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.894 108.9 52.7 -61.5 -40.1 9.4 30.9 48.9 109 143 A R H X S+ 0 0 122 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.908 111.5 46.0 -57.5 -46.6 6.6 33.0 50.4 110 144 A L H X S+ 0 0 1 -4,-2.1 4,-3.0 1,-0.2 -2,-0.2 0.881 110.1 53.3 -69.1 -35.7 6.5 30.6 53.3 111 145 A X H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.891 108.4 50.7 -62.4 -42.7 10.3 30.6 53.7 112 146 A D H X S+ 0 0 14 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.947 113.6 44.8 -60.3 -44.6 10.2 34.4 53.9 113 147 A A H X S+ 0 0 1 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.910 113.7 49.1 -65.6 -46.8 7.5 34.3 56.6 114 148 A C H <>S+ 0 0 1 -4,-3.0 5,-2.4 1,-0.2 4,-0.5 0.904 110.9 51.0 -62.4 -35.2 9.3 31.6 58.5 115 149 A A H ><5S+ 0 0 21 -4,-2.5 3,-1.0 1,-0.2 -2,-0.2 0.941 111.3 47.2 -64.4 -47.6 12.5 33.5 58.3 116 150 A E H 3<5S+ 0 0 94 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.855 119.8 39.4 -64.3 -38.6 10.8 36.7 59.6 117 151 A Y T 3<5S- 0 0 67 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.279 110.1-117.2 -97.8 7.0 9.1 34.8 62.5 118 152 A D T < 5 + 0 0 144 -3,-1.0 2,-0.3 -4,-0.5 -3,-0.2 0.802 61.6 149.3 61.4 38.1 12.0 32.5 63.4 119 153 A R < - 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0 0 44 1,-0.1 4,-1.8 -2,-0.1 5,-0.2 -0.453 17.0-119.2 -68.7 149.9 8.2 7.4 23.4 278 312 A D H > S+ 0 0 26 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.934 114.4 56.8 -50.6 -46.7 9.3 8.7 26.8 279 313 A E H > S+ 0 0 127 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.889 104.6 48.2 -55.7 -43.8 12.9 8.2 25.4 280 314 A E H > S+ 0 0 76 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.888 110.7 51.7 -71.4 -28.3 12.5 10.4 22.4 281 315 A I H >X S+ 0 0 15 -4,-1.8 4,-1.5 1,-0.2 3,-0.5 0.938 110.7 49.9 -66.3 -47.4 10.9 13.2 24.6 282 316 A W H 3< S+ 0 0 79 -4,-2.5 3,-0.2 1,-0.2 -2,-0.2 0.889 104.7 58.8 -60.5 -36.8 14.0 12.9 27.0 283 317 A K H 3< S+ 0 0 142 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.887 111.9 38.3 -59.9 -36.8 16.4 13.2 24.1 284 318 A K H << S- 0 0 88 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.2 0.641 80.1-174.6 -95.7 -16.9 15.1 16.6 23.0 285 319 A G S < S+ 0 0 8 -4,-1.5 2,-0.4 -3,-0.2 -1,-0.2 -0.236 70.9 14.4 57.3-144.6 14.3 18.4 26.2 286 320 A I S S- 0 0 1 -71,-0.1 2,-0.6 -70,-0.1 -150,-0.1 -0.544 82.5-165.0 -63.9 121.2 12.7 21.7 25.5 287 321 A N > - 0 0 15 -2,-0.4 3,-0.7 -74,-0.2 4,-0.3 -0.941 19.0-174.3-119.1 105.8 11.7 21.4 21.9 288 322 A L T 3> + 0 0 4 -2,-0.6 4,-2.4 1,-0.2 5,-0.3 0.437 64.2 97.3 -78.0 -1.3 10.7 24.5 20.0 289 323 A D H 3> S+ 0 0 73 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.847 82.7 49.6 -53.3 -41.3 9.7 22.6 16.9 290 324 A Y H <> S+ 0 0 27 -3,-0.7 4,-2.4 2,-0.2 -1,-0.2 0.939 111.5 45.8 -70.1 -47.4 6.1 22.7 17.9 291 325 A L H > S+ 0 0 4 -4,-0.3 4,-2.5 1,-0.2 -2,-0.2 0.915 114.8 48.5 -58.0 -44.2 5.8 26.4 18.6 292 326 A I H X S+ 0 0 23 -4,-2.4 4,-2.4 1,-0.2 5,-0.3 0.903 109.6 53.3 -66.6 -41.0 7.7 27.2 15.4 293 327 A D H X S+ 0 0 59 -4,-2.3 4,-2.0 -5,-0.3 -1,-0.2 0.946 111.9 43.6 -56.9 -52.4 5.4 24.9 13.4 294 328 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.902 111.1 55.3 -62.8 -40.0 2.3 26.5 14.7 295 329 A Y H X S+ 0 0 30 -4,-2.5 4,-1.2 1,-0.2 5,-0.5 0.948 113.0 40.4 -58.2 -51.4 3.7 30.0 14.2 296 330 A H H < S+ 0 0 90 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.821 115.2 52.2 -71.4 -29.1 4.5 29.6 10.6 297 331 A N H < S+ 0 0 42 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.901 106.8 51.6 -71.6 -40.7 1.3 27.6 9.9 298 332 A L H < S- 0 0 18 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.762 85.1-154.8 -72.5 -28.2 -1.1 30.2 11.3 299 333 A N < + 0 0 140 -4,-1.2 -3,-0.1 -5,-0.2 -4,-0.1 0.825 54.6 122.6 59.6 37.2 0.3 33.2 9.4 300 334 A X > - 0 0 65 -5,-0.5 3,-1.4 1,-0.3 4,-0.2 0.224 56.8-152.2-111.8 16.8 -0.8 35.7 12.0 301 335 A G G > - 0 0 28 -6,-0.3 3,-2.0 1,-0.2 -1,-0.3 -0.145 65.3 -5.9 51.9-141.7 2.6 37.2 12.6 302 336 A D G > S+ 0 0 75 1,-0.3 3,-1.6 2,-0.2 -1,-0.2 0.706 120.9 75.8 -63.7 -19.7 3.4 38.7 15.9 303 337 A R G < S+ 0 0 209 -3,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.675 79.6 74.7 -66.6 -16.1 -0.2 38.4 17.1 304 338 A F G < S+ 0 0 0 -3,-2.0 2,-0.7 -4,-0.2 -1,-0.3 0.799 88.1 68.0 -58.3 -33.8 0.6 34.6 17.6 305 339 A F S < S- 0 0 6 -3,-1.6 -82,-0.2 -4,-0.2 -1,-0.1 -0.853 83.4-138.6 -98.2 114.8 2.6 35.6 20.7 306 340 A R > - 0 0 96 -84,-2.5 3,-2.3 -2,-0.7 4,-0.3 -0.285 30.5-106.5 -58.0 155.6 0.5 36.9 23.6 307 341 A P T > S+ 0 0 116 0, 0.0 3,-0.8 0, 0.0 4,-0.1 0.875 120.7 54.4 -51.6 -39.4 2.2 39.8 25.4 308 342 A F T >> S+ 0 0 94 1,-0.2 4,-1.1 2,-0.2 3,-0.9 0.330 71.6 103.0 -85.2 7.6 3.0 37.5 28.3 309 343 A F H X> S+ 0 0 0 -3,-2.3 4,-2.5 -87,-0.3 3,-0.9 0.906 81.3 56.9 -49.0 -42.1 4.9 34.9 26.2 310 344 A E H <> S+ 0 0 15 -3,-0.8 4,-2.3 -4,-0.3 -1,-0.2 0.768 97.4 60.2 -63.7 -30.1 8.0 36.5 27.6 311 345 A L H <4 S+ 0 0 53 -3,-0.9 -1,-0.3 2,-0.2 -2,-0.2 0.823 111.9 40.3 -66.3 -29.6 6.9 35.8 31.2 312 346 A L H << S+ 0 0 9 -4,-1.1 -2,-0.2 -3,-0.9 -1,-0.1 0.917 123.2 36.4 -80.3 -49.9 6.8 32.1 30.3 313 347 A V H < S- 0 0 2 -4,-2.5 -3,-0.2 -5,-0.1 -2,-0.2 0.847 96.7-139.3 -79.9 -32.5 10.0 31.9 28.3 314 348 A G < + 0 0 0 -4,-2.3 -174,-2.3 -5,-0.3 2,-0.3 0.436 68.6 61.6 95.0 2.7 12.0 34.4 30.3 315 349 A T S S- 0 0 18 -176,-0.1 4,-0.3 -173,-0.1 3,-0.3 -0.972 72.9-127.7-154.7 157.9 13.8 36.4 27.6 316 350 A D S > S+ 0 0 54 -2,-0.3 4,-1.2 1,-0.2 3,-0.1 0.623 92.9 74.9 -84.2 -13.5 12.9 38.5 24.6 317 351 A Y H > S+ 0 0 18 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.723 81.0 68.2 -81.9 -18.7 15.0 36.7 21.9 318 352 A V H > S+ 0 0 1 -3,-0.3 4,-2.5 2,-0.2 5,-0.2 0.973 105.1 41.4 -65.3 -49.1 12.8 33.7 21.5 319 353 A R H > S+ 0 0 33 -4,-0.3 4,-2.6 1,-0.2 5,-0.2 0.932 116.8 49.8 -57.6 -47.9 9.9 35.6 19.9 320 354 A K H X S+ 0 0 125 -4,-1.2 4,-1.6 1,-0.2 -1,-0.2 0.913 112.3 46.1 -62.2 -43.0 12.3 37.7 17.8 321 355 A X H <>S+ 0 0 28 -4,-2.7 5,-2.6 2,-0.2 -1,-0.2 0.898 111.7 51.1 -69.9 -37.1 14.3 34.7 16.5 322 356 A I H ><5S+ 0 0 0 -4,-2.5 3,-1.8 -5,-0.2 -2,-0.2 0.956 113.0 45.7 -61.3 -48.6 11.1 32.8 15.6 323 357 A E H 3<5S+ 0 0 66 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.793 108.2 58.9 -65.8 -27.9 9.7 35.7 13.7 324 358 A G T 3<5S- 0 0 56 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.395 120.6-107.4 -78.8 -1.1 13.1 36.2 12.1 325 359 A G T < 5 + 0 0 50 -3,-1.8 -3,-0.2 1,-0.2 -2,-0.1 0.606 64.6 154.7 86.3 13.2 13.0 32.7 10.6 326 360 A K < - 0 0 91 -5,-2.6 -1,-0.2 -6,-0.1 2,-0.1 -0.302 41.8-108.4 -74.8 157.3 15.5 31.0 12.9 327 361 A S > - 0 0 53 1,-0.1 4,-2.3 -2,-0.0 5,-0.2 -0.467 20.5-113.9 -82.8 159.3 15.5 27.3 13.6 328 362 A A H > S+ 0 0 9 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.905 118.8 50.1 -53.9 -44.9 14.6 25.5 16.8 329 363 A D H > S+ 0 0 133 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.895 108.9 51.3 -65.9 -40.5 18.2 24.3 17.1 330 364 A E H > S+ 0 0 91 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.908 113.4 44.4 -61.1 -46.5 19.6 27.9 16.6 331 365 A I H >X S+ 0 0 0 -4,-2.3 3,-0.9 2,-0.2 4,-0.6 0.951 113.7 49.3 -66.5 -47.6 17.3 29.4 19.3 332 366 A K H >< S+ 0 0 54 -4,-2.6 3,-1.4 1,-0.3 4,-0.3 0.901 105.5 58.4 -60.8 -39.2 17.9 26.5 21.8 333 367 A A H >< S+ 0 0 68 -4,-2.4 3,-1.4 1,-0.3 4,-0.4 0.810 93.3 69.0 -59.8 -28.4 21.7 26.8 21.3 334 368 A R H << S+ 0 0 144 -3,-0.9 4,-0.3 -4,-0.9 -1,-0.3 0.784 101.9 44.7 -63.9 -27.8 21.5 30.5 22.4 335 369 A W T S+ 0 0 120 -3,-1.4 4,-2.5 -4,-0.3 -1,-0.2 0.919 84.1 49.2 -56.6 -43.8 23.3 26.6 26.3 337 371 A R H > S+ 0 0 154 -4,-0.4 4,-2.9 -3,-0.2 5,-0.2 0.911 107.6 53.9 -61.9 -44.0 25.7 28.9 28.1 338 372 A D H > S+ 0 0 37 -4,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.908 111.0 47.5 -54.2 -47.1 22.9 30.0 30.6 339 373 A V H X S+ 0 0 7 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.928 110.4 51.5 -63.8 -44.2 22.3 26.3 31.3 340 374 A E H X S+ 0 0 86 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.951 112.6 46.4 -53.6 -51.9 26.0 25.6 31.8 341 375 A R H X S+ 0 0 121 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.880 110.4 51.8 -63.6 -38.8 26.4 28.4 34.2 342 376 A F H X S+ 0 0 0 -4,-2.5 4,-2.6 -5,-0.2 -1,-0.2 0.877 104.0 57.4 -66.4 -36.1 23.3 27.4 36.1 343 377 A K H X S+ 0 0 73 -4,-2.3 4,-0.6 1,-0.2 -1,-0.2 0.869 111.6 43.7 -61.7 -34.2 24.5 23.9 36.5 344 378 A I H >< S+ 0 0 131 -4,-1.5 3,-0.7 -5,-0.2 -2,-0.2 0.931 113.3 50.7 -70.4 -46.4 27.7 25.3 38.2 345 379 A Q H 3< S+ 0 0 65 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.849 113.0 45.0 -62.1 -39.4 25.7 27.8 40.3 346 380 A R H >< S+ 0 0 5 -4,-2.6 3,-2.2 1,-0.2 4,-0.5 0.654 86.3 94.3 -80.1 -17.4 23.3 25.1 41.6 347 381 A K G X< S+ 0 0 117 -3,-0.7 3,-1.4 -4,-0.6 -1,-0.2 0.825 78.5 55.4 -52.4 -41.7 25.9 22.5 42.4 348 382 A P G 3 S+ 0 0 102 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.670 108.5 51.3 -65.1 -12.4 26.5 23.4 46.1 349 383 A Y G < S+ 0 0 37 -3,-2.2 -184,-0.2 -4,-0.1 -2,-0.2 0.426 81.5 114.4-103.4 -4.4 22.8 22.9 46.8 350 384 A L < - 0 0 27 -3,-1.4 4,-0.1 -4,-0.5 3,-0.1 -0.419 40.9-173.0 -72.3 143.8 22.3 19.5 45.2 351 385 A L + 0 0 61 -2,-0.1 2,-0.3 2,-0.1 -1,-0.1 0.391 68.1 47.6-110.6 -4.8 21.4 16.7 47.5 352 386 A Y S S- 0 0 22 -167,-0.0 -162,-0.2 1,-0.0 -1,-0.0 -0.923 103.4 -68.1-137.8 159.5 21.6 13.9 45.0 353 387 A Q - 0 0 120 -164,-0.4 -162,-2.7 -2,-0.3 -161,-0.1 -0.224 57.4-124.1 -51.1 130.2 24.1 12.7 42.4 354 388 A D 0 0 32 -164,-0.1 -1,-0.1 1,-0.1 -162,-0.1 -0.146 360.0 360.0 -71.8 167.1 24.2 15.2 39.6 355 389 A N 0 0 100 -224,-0.1 -1,-0.1 -164,-0.1 -163,-0.1 0.355 360.0 360.0-120.5 360.0 23.6 14.4 36.0