==== 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 STRUCTURAL GENOMICS/UNKNOWN FUNCTION 01-SEP-06 2I8D . COMPND 2 MOLECULE: UNCHARACTERIZED CONSERVED PROTEIN OF COG5646; . SOURCE 2 ORGANISM_SCIENTIFIC: LACTOBACILLUS CASEI; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 242 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11951.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 171 70.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 53 21.9 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 2.5 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 . 16 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 82 33.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 1 0 0 0 0 0 0 0 3 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 0 0 4 4 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 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 2 A G 0 0 83 0, 0.0 2,-0.3 0, 0.0 39,-0.2 0.000 360.0 360.0 360.0 165.9 38.7 50.4 -5.4 2 3 A S > - 0 0 50 38,-0.1 4,-1.6 1,-0.1 5,-0.1 -0.805 360.0-109.9-118.7 168.1 41.5 50.5 -7.9 3 4 A L H > S+ 0 0 59 -2,-0.3 4,-2.0 1,-0.2 5,-0.2 0.880 119.0 58.5 -62.7 -40.6 44.8 48.7 -8.2 4 5 A A H > S+ 0 0 63 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.903 107.8 47.0 -53.2 -42.6 46.6 51.9 -7.4 5 6 A E H 4 S+ 0 0 115 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.822 106.7 56.2 -71.7 -34.3 44.7 52.1 -4.1 6 7 A W H >< S+ 0 0 3 -4,-1.6 3,-1.6 1,-0.2 4,-0.3 0.912 104.2 53.3 -63.9 -43.5 45.3 48.5 -3.1 7 8 A Y H >< S+ 0 0 55 -4,-2.0 3,-1.4 1,-0.3 -1,-0.2 0.856 102.8 60.0 -60.7 -33.1 49.1 49.0 -3.4 8 9 A Q T 3< S+ 0 0 121 -4,-1.1 -1,-0.3 1,-0.3 -2,-0.2 0.650 93.5 64.1 -71.2 -14.9 48.7 52.0 -1.0 9 10 A R T < S+ 0 0 117 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.2 0.508 75.1 106.7 -82.9 -5.9 47.2 49.7 1.7 10 11 A I S < S- 0 0 12 -3,-1.4 6,-0.1 -4,-0.3 48,-0.1 -0.661 76.3-133.2 -75.6 126.7 50.6 47.9 1.9 11 12 A P S S+ 0 0 63 0, 0.0 -1,-0.1 0, 0.0 47,-0.1 0.792 71.6 15.6 -59.2 -42.8 52.0 49.2 5.2 12 13 A T S > S- 0 0 58 1,-0.1 4,-2.4 -3,-0.0 5,-0.2 -0.898 72.8-111.1-132.9 157.0 55.6 50.2 4.4 13 14 A P H > S+ 0 0 103 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.864 120.0 51.8 -51.0 -43.0 57.8 50.9 1.3 14 15 A D H > S+ 0 0 129 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.867 108.6 51.5 -63.4 -37.2 59.9 47.7 2.0 15 16 A D H > S+ 0 0 18 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.911 110.0 49.5 -65.3 -41.7 56.6 45.8 2.1 16 17 A L H X S+ 0 0 49 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.902 108.5 52.9 -62.3 -40.9 55.6 47.3 -1.3 17 18 A T H X S+ 0 0 74 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.909 108.2 51.6 -58.5 -43.8 59.0 46.4 -2.7 18 19 A R H X S+ 0 0 55 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.935 112.2 44.6 -60.2 -48.2 58.4 42.8 -1.6 19 20 A V H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.940 113.2 50.6 -64.4 -45.7 55.0 42.6 -3.3 20 21 A E H X S+ 0 0 97 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.911 113.1 46.3 -57.6 -43.0 56.2 44.3 -6.5 21 22 A S H X S+ 0 0 51 -4,-2.4 4,-2.9 -5,-0.2 5,-0.2 0.895 111.4 51.7 -66.5 -43.0 59.2 41.8 -6.7 22 23 A L H X S+ 0 0 0 -4,-2.4 4,-2.9 -5,-0.2 5,-0.3 0.956 111.9 46.0 -57.6 -52.8 57.0 38.9 -6.0 23 24 A F H X S+ 0 0 4 -4,-2.8 4,-2.4 1,-0.2 5,-0.2 0.940 115.0 47.1 -57.9 -47.2 54.5 39.8 -8.7 24 25 A A H X S+ 0 0 50 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.2 0.915 114.1 46.8 -60.5 -46.1 57.4 40.5 -11.2 25 26 A N H X S+ 0 0 66 -4,-2.9 4,-2.2 2,-0.2 -1,-0.2 0.911 112.9 48.4 -64.4 -43.6 59.2 37.3 -10.5 26 27 A X H X S+ 0 0 0 -4,-2.9 4,-2.1 -5,-0.2 -2,-0.2 0.913 111.5 50.1 -66.0 -39.8 56.0 35.1 -10.6 27 28 A Q H < S+ 0 0 78 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.899 111.6 49.4 -62.4 -39.0 55.0 36.8 -14.0 28 29 A A H < S+ 0 0 79 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.904 114.8 44.4 -65.2 -38.2 58.5 36.0 -15.3 29 30 A Q H < S+ 0 0 84 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.764 126.1 30.5 -79.4 -24.5 58.2 32.4 -14.1 30 31 A F >< + 0 0 18 -4,-2.1 3,-1.8 -5,-0.2 -1,-0.3 -0.727 69.4 177.2-136.7 76.6 54.7 31.9 -15.4 31 32 A P T 3 S+ 0 0 106 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.695 75.8 63.1 -62.2 -20.1 54.4 34.1 -18.5 32 33 A Q T 3 S+ 0 0 99 2,-0.1 15,-0.4 14,-0.0 -5,-0.1 0.687 80.5 106.1 -75.2 -21.1 50.8 32.9 -19.3 33 34 A L < - 0 0 14 -3,-1.8 2,-0.5 -7,-0.2 13,-0.2 -0.329 59.8-148.4 -66.4 140.9 49.4 34.3 -16.0 34 35 A K E -A 45 0A 130 11,-2.7 11,-2.4 -2,-0.0 2,-0.9 -0.933 6.8-142.6-107.1 130.6 47.3 37.4 -16.1 35 36 A L E +A 44 0A 42 -2,-0.5 2,-0.2 9,-0.2 9,-0.2 -0.852 33.0 175.5 -95.1 107.6 47.4 39.8 -13.2 36 37 A E E -A 43 0A 45 7,-3.0 7,-2.6 -2,-0.9 2,-0.5 -0.674 32.2-134.4-108.5 162.5 43.8 41.0 -12.8 37 38 A F E +A 42 0A 58 -2,-0.2 2,-0.3 5,-0.2 3,-0.1 -0.967 40.6 159.1-119.2 109.9 42.2 43.2 -10.2 38 39 A K E > +A 41 0A 64 3,-2.7 3,-1.6 -2,-0.5 -2,-0.0 -0.987 59.7 2.4-138.5 141.6 38.9 41.6 -9.2 39 40 A W T 3 S- 0 0 160 -2,-0.3 -1,-0.2 1,-0.3 0, 0.0 0.892 131.3 -57.0 44.5 44.5 36.6 42.0 -6.2 40 41 A N T 3 S+ 0 0 79 -39,-0.2 -1,-0.3 1,-0.1 -38,-0.1 0.659 120.3 85.2 65.0 24.5 39.0 44.6 -4.9 41 42 A Q E < S-A 38 0A 30 -3,-1.6 -3,-2.7 -40,-0.1 2,-0.2 -0.996 80.0-103.8-146.8 152.6 42.2 42.5 -4.9 42 43 A P E +A 37 0A 0 0, 0.0 12,-1.8 0, 0.0 2,-0.3 -0.516 41.9 178.8 -69.1 138.9 44.9 41.5 -7.3 43 44 A X E -AB 36 53A 3 -7,-2.6 -7,-3.0 10,-0.2 2,-0.4 -0.995 28.0-131.6-141.1 137.1 44.6 37.9 -8.6 44 45 A F E -AB 35 52A 0 8,-2.5 7,-2.7 -2,-0.3 8,-1.6 -0.761 32.5-175.7 -81.3 134.3 46.7 35.8 -11.0 45 46 A T E -AB 34 50A 2 -11,-2.4 -11,-2.7 -2,-0.4 2,-0.4 -0.908 15.5-157.0-127.9 154.9 44.4 34.0 -13.5 46 47 A D E > S- B 0 49A 15 3,-2.3 3,-1.3 -2,-0.3 -13,-0.1 -0.983 76.4 -22.4-136.5 122.2 45.2 31.5 -16.2 47 48 A H T 3 S- 0 0 102 -2,-0.4 3,-0.1 -15,-0.4 -1,-0.1 0.855 130.5 -45.8 39.4 49.4 42.9 31.0 -19.2 48 49 A G T 3 S+ 0 0 50 1,-0.2 2,-0.3 190,-0.0 -1,-0.3 0.699 116.8 112.2 76.4 20.3 39.9 32.5 -17.2 49 50 A T E < S-B 46 0A 2 -3,-1.3 -3,-2.3 189,-0.0 2,-0.3 -0.944 70.8-105.9-126.5 144.4 40.6 30.5 -14.0 50 51 A F E +B 45 0A 5 190,-3.0 -5,-0.2 -2,-0.3 3,-0.1 -0.535 39.3 162.2 -68.6 131.6 41.7 31.6 -10.6 51 52 A I E - 0 0 0 -7,-2.7 15,-0.4 1,-0.3 2,-0.3 0.734 62.3 -16.0-110.8 -49.7 45.3 30.8 -9.6 52 53 A X E -B 44 0A 0 -8,-1.6 -8,-2.5 13,-0.1 -1,-0.3 -0.987 52.0-155.9-159.9 146.0 46.2 33.0 -6.6 53 54 A G E -BC 43 64A 0 11,-2.1 11,-2.5 -2,-0.3 2,-0.4 -0.849 8.7-152.4-126.3 165.5 45.0 36.1 -4.8 54 55 A F E + C 0 63A 0 -12,-1.8 9,-0.2 -2,-0.3 7,-0.0 -0.996 16.4 165.6-143.0 138.2 46.7 38.7 -2.6 55 56 A N E - C 0 62A 47 7,-1.7 7,-3.2 -2,-0.4 2,-0.2 -0.941 24.4-136.9-151.7 131.4 45.7 41.0 0.3 56 57 A P E + C 0 61A 10 0, 0.0 2,-0.3 0, 0.0 5,-0.2 -0.538 20.0 178.4 -85.5 154.4 47.8 43.0 2.7 57 58 A S - 0 0 41 3,-2.1 -2,-0.0 -2,-0.2 0, 0.0 -0.810 48.1 -91.3-135.5 178.7 47.2 43.4 6.5 58 59 A K S S+ 0 0 86 -2,-0.3 3,-0.1 1,-0.2 156,-0.0 0.890 124.3 26.1 -61.5 -38.3 49.2 45.2 9.2 59 60 A K S S+ 0 0 89 1,-0.1 155,-1.8 154,-0.1 156,-0.4 0.571 125.2 11.6-105.1 -14.1 51.2 42.1 10.0 60 61 A H E - D 0 213A 40 153,-0.3 -3,-2.1 154,-0.1 2,-0.5 -0.990 61.8-110.0-156.6 163.5 51.2 40.0 6.8 61 62 A L E -CD 56 212A 0 151,-2.5 151,-2.6 -2,-0.3 2,-0.6 -0.920 37.6-144.0 -93.3 127.3 50.6 39.4 3.2 62 63 A A E -CD 55 211A 15 -7,-3.2 -7,-1.7 -2,-0.5 2,-0.6 -0.860 10.8-160.3 -95.6 118.8 47.7 37.0 2.8 63 64 A V E -CD 54 210A 0 147,-2.6 147,-2.1 -2,-0.6 2,-0.4 -0.912 9.1-149.7-104.7 119.3 48.1 34.7 -0.1 64 65 A A E +CD 53 209A 13 -11,-2.5 -11,-2.1 -2,-0.6 2,-0.3 -0.740 21.2 171.7 -96.9 128.2 44.9 33.1 -1.3 65 66 A I E - D 0 208A 2 143,-2.6 143,-0.5 -2,-0.4 -13,-0.1 -0.841 36.4 -89.4-133.2 163.8 44.9 29.6 -2.8 66 67 A E > - 0 0 4 -15,-0.4 4,-2.5 -2,-0.3 5,-0.2 -0.345 39.5-110.5 -74.0 156.4 42.3 27.1 -3.9 67 68 A P H > S+ 0 0 1 0, 0.0 4,-2.6 0, 0.0 126,-0.2 0.896 117.6 49.7 -55.8 -42.1 41.0 24.4 -1.4 68 69 A Q H > S+ 0 0 69 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.880 110.1 51.2 -67.8 -37.0 42.7 21.5 -3.2 69 70 A T H > S+ 0 0 1 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.930 110.3 48.4 -64.0 -45.7 46.0 23.4 -3.3 70 71 A X H X S+ 0 0 1 -4,-2.5 4,-0.9 1,-0.2 3,-0.4 0.959 112.6 49.4 -58.6 -49.9 45.8 24.1 0.5 71 72 A T H >< S+ 0 0 55 -4,-2.6 3,-0.6 1,-0.2 -2,-0.2 0.911 112.3 47.9 -53.8 -47.7 45.0 20.4 1.1 72 73 A R H 3< S+ 0 0 152 -4,-2.4 -1,-0.2 1,-0.2 4,-0.2 0.793 116.7 41.7 -65.8 -28.6 47.9 19.3 -1.0 73 74 A F H 3X S+ 0 0 21 -4,-1.6 4,-2.9 -3,-0.4 5,-0.3 0.418 75.8 107.4-106.7 3.2 50.4 21.6 0.5 74 75 A I H S+ 0 0 65 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.915 116.4 43.5 -54.4 -43.5 52.8 19.4 5.1 76 77 A Q H > S+ 0 0 107 -4,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.855 113.5 50.8 -74.1 -33.6 55.0 21.7 3.0 77 78 A I H X>S+ 0 0 0 -4,-2.9 5,-1.9 2,-0.2 4,-0.6 0.923 111.4 48.4 -68.4 -43.4 53.4 24.9 4.4 78 79 A D H ><5S+ 0 0 39 -4,-2.7 3,-1.1 -5,-0.3 -2,-0.2 0.927 110.7 50.9 -62.9 -43.6 53.9 23.7 8.0 79 80 A K H 3<5S+ 0 0 111 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.853 106.2 54.9 -62.9 -36.2 57.5 22.8 7.2 80 81 A A H 3<5S- 0 0 39 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.600 117.5-117.0 -73.2 -12.5 58.1 26.3 5.8 81 82 A G T <<5 + 0 0 63 -3,-1.1 2,-0.4 -4,-0.6 -3,-0.2 0.733 65.7 135.9 87.2 27.6 56.8 27.7 9.1 82 83 A Y < - 0 0 19 -5,-1.9 -1,-0.3 130,-0.1 2,-0.1 -0.871 48.8-130.1-113.7 140.6 53.7 29.6 7.9 83 84 A D - 0 0 105 128,-0.4 128,-2.4 -2,-0.4 2,-0.3 -0.450 25.1-164.0 -77.3 155.0 50.2 29.7 9.5 84 85 A H E -E 210 0A 31 126,-0.2 2,-0.3 -2,-0.1 126,-0.2 -0.943 5.9-162.1-140.0 160.1 47.2 29.1 7.2 85 86 A S E -E 209 0A 27 124,-2.6 124,-3.1 -2,-0.3 2,-0.4 -0.997 8.8-165.1-146.8 139.1 43.5 29.7 7.5 86 87 A Q E +E 208 0A 6 101,-0.5 101,-2.7 -2,-0.3 2,-0.3 -0.992 25.5 173.3-127.1 118.2 40.4 28.4 5.8 87 88 A I E -EF 207 186A 26 120,-2.8 120,-2.9 -2,-0.4 2,-0.4 -0.943 29.7-145.7-131.0 147.2 37.2 30.5 6.4 88 89 A I E -EF 206 185A 0 97,-2.4 97,-2.5 -2,-0.3 2,-0.7 -0.944 25.9-134.0-104.2 133.2 33.6 30.7 5.3 89 90 A R E - F 0 184A 77 116,-2.8 116,-0.5 -2,-0.4 95,-0.2 -0.819 18.4-171.5 -93.3 117.5 32.2 34.3 5.2 90 91 A F E - F 0 183A 0 93,-2.9 93,-2.7 -2,-0.7 6,-0.1 -0.894 22.1-138.3-106.1 98.2 28.8 34.6 6.8 91 92 A P E > - F 0 182A 26 0, 0.0 3,-1.3 0, 0.0 91,-0.3 -0.294 7.3-134.8 -59.5 141.7 27.5 38.1 6.0 92 93 A W T 3 S+ 0 0 24 89,-2.2 90,-0.1 1,-0.2 4,-0.1 0.819 106.5 53.9 -61.7 -32.4 25.8 39.9 8.8 93 94 A H T 3 S+ 0 0 165 88,-0.5 -1,-0.2 2,-0.1 89,-0.1 0.387 102.1 67.3 -86.6 -1.5 23.1 41.0 6.4 94 95 A K S < S- 0 0 49 -3,-1.3 -4,-0.0 1,-0.1 0, 0.0 -0.835 96.9 -86.1-113.9 156.5 22.3 37.4 5.1 95 96 A P - 0 0 105 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 -0.255 40.2-123.3 -54.7 147.8 20.7 34.5 6.9 96 97 A L - 0 0 25 -4,-0.1 2,-1.5 -6,-0.1 3,-0.1 -0.888 15.2-142.9 -98.1 115.1 23.1 32.3 9.0 97 98 A D > + 0 0 55 -2,-0.6 4,-1.8 1,-0.2 3,-0.2 -0.613 24.8 174.7 -78.8 89.9 22.8 28.6 7.8 98 99 A E H > S+ 0 0 54 -2,-1.5 4,-2.7 1,-0.2 -1,-0.2 0.729 75.3 62.3 -72.3 -21.7 23.2 26.9 11.2 99 100 A Q H > S+ 0 0 116 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.895 105.3 47.5 -67.2 -43.8 22.6 23.5 9.6 100 101 A L H > S+ 0 0 8 2,-0.2 4,-2.4 -3,-0.2 -2,-0.2 0.923 112.7 48.1 -56.6 -49.0 25.7 24.0 7.5 101 102 A I H X S+ 0 0 0 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.945 111.9 51.2 -60.5 -43.6 27.7 25.1 10.6 102 103 A H H X S+ 0 0 45 -4,-2.7 4,-2.9 1,-0.2 5,-0.2 0.928 109.9 49.1 -56.9 -47.9 26.3 22.0 12.5 103 104 A D H X S+ 0 0 63 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.886 109.0 52.1 -64.1 -37.7 27.4 19.7 9.6 104 105 A L H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.909 112.6 46.2 -62.2 -44.9 30.9 21.2 9.5 105 106 A I H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.952 112.7 49.3 -62.9 -50.8 31.3 20.6 13.3 106 107 A A H X S+ 0 0 37 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.919 112.3 47.4 -57.1 -47.4 29.9 17.1 13.1 107 108 A Y H X S+ 0 0 34 -4,-2.5 4,-2.6 -5,-0.2 -1,-0.2 0.934 113.6 47.4 -60.3 -45.3 32.2 16.0 10.3 108 109 A T H X S+ 0 0 1 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.905 109.5 52.8 -65.3 -41.5 35.3 17.5 11.9 109 110 A I H < S+ 0 0 21 -4,-2.8 4,-0.2 2,-0.2 -1,-0.2 0.915 112.1 47.0 -55.4 -47.7 34.5 15.9 15.3 110 111 A D H >< S+ 0 0 71 -4,-2.2 3,-1.1 -5,-0.2 -2,-0.2 0.937 114.0 46.3 -62.6 -45.3 34.2 12.5 13.5 111 112 A Q H 3< S+ 0 0 85 -4,-2.6 3,-0.4 1,-0.2 -1,-0.2 0.793 115.2 46.5 -69.6 -27.6 37.5 13.0 11.5 112 113 A K T >< S+ 0 0 14 -4,-2.1 3,-2.1 -5,-0.2 -1,-0.2 0.257 74.1 116.4-101.8 13.9 39.5 14.2 14.6 113 114 A K T < S+ 0 0 128 -3,-1.1 -1,-0.2 1,-0.3 -2,-0.1 0.831 90.5 27.8 -47.2 -43.5 38.2 11.4 16.9 114 115 A D T 3 S+ 0 0 149 -3,-0.4 -1,-0.3 -4,-0.2 -2,-0.1 0.050 87.8 146.9-112.7 24.5 41.8 10.1 17.3 115 116 A A < - 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0 0 2 -101,-2.7 -101,-0.5 -2,-0.4 -13,-0.1 -0.872 36.7 -87.6-136.4 165.1 37.5 25.3 9.7 188 67 B E > - 0 0 3 -15,-0.4 4,-2.6 -2,-0.3 5,-0.2 -0.362 38.4-111.8 -74.8 157.1 40.2 22.7 9.0 189 68 B P H > S+ 0 0 1 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.880 117.4 50.3 -55.3 -43.9 41.6 22.1 5.5 190 69 B Q H > S+ 0 0 67 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.898 111.6 49.5 -62.5 -40.3 40.0 18.6 5.1 191 70 B T H > S+ 0 0 1 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.919 110.8 48.6 -64.0 -46.7 36.7 20.0 6.2 192 71 B X H X S+ 0 0 2 -4,-2.6 4,-0.9 2,-0.2 3,-0.4 0.977 113.4 48.1 -58.3 -52.1 36.8 22.9 3.7 193 72 B T H >< S+ 0 0 53 -4,-2.7 3,-0.7 1,-0.2 -2,-0.2 0.918 112.4 48.8 -52.3 -48.0 37.8 20.5 0.9 194 73 B R H 3< S+ 0 0 147 -4,-2.6 -1,-0.2 1,-0.2 4,-0.2 0.844 116.5 41.5 -59.8 -36.9 34.9 18.1 1.8 195 74 B F H 3X S+ 0 0 19 -4,-1.8 4,-2.8 -3,-0.4 3,-0.3 0.381 75.2 109.0-103.7 2.8 32.3 20.7 2.0 196 75 B I H S+ 0 0 67 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.913 114.9 44.8 -58.6 -38.7 29.9 21.8 -3.0 198 77 B Q H > S+ 0 0 98 -3,-0.3 4,-2.1 -4,-0.2 -2,-0.2 0.883 112.8 50.6 -73.5 -36.7 27.6 22.3 0.1 199 78 B I H X>S+ 0 0 0 -4,-2.8 5,-1.9 2,-0.2 4,-0.6 0.928 112.6 47.1 -63.1 -44.3 29.1 25.7 0.9 200 79 B D H ><5S+ 0 0 36 -4,-2.7 3,-1.2 -5,-0.3 -2,-0.2 0.928 111.3 50.4 -65.5 -46.1 28.6 26.9 -2.7 201 80 B K H 3<5S+ 0 0 115 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.885 108.1 53.7 -59.3 -38.3 25.1 25.6 -2.8 202 81 B A H 3<5S- 0 0 36 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.636 115.5-121.5 -71.3 -14.9 24.4 27.5 0.4 203 82 B G T <<5 + 0 0 52 -3,-1.2 2,-0.4 -4,-0.6 -3,-0.2 0.759 63.3 133.8 81.0 29.4 25.7 30.6 -1.3 204 83 B Y < - 0 0 19 -5,-1.9 -1,-0.3 -114,-0.1 2,-0.2 -0.895 51.4-126.0-112.4 144.4 28.6 31.6 0.9 205 84 B D - 0 0 110 -116,-0.5 -116,-2.8 -2,-0.4 2,-0.3 -0.460 25.9-162.9 -76.9 155.1 32.1 32.7 -0.1 206 85 B H E - E 0 88A 30 -118,-0.2 2,-0.3 -2,-0.2 -118,-0.2 -0.941 4.7-161.4-141.3 155.2 35.1 30.9 1.3 207 86 B S E - E 0 87A 16 -120,-2.9 -120,-2.8 -2,-0.3 2,-0.5 -0.998 9.1-164.9-143.6 141.6 38.8 31.7 1.5 208 87 B Q E +DE 65 86A 6 -143,-0.5 -143,-2.6 -2,-0.3 2,-0.3 -0.992 25.8 174.4-128.6 114.5 42.0 29.7 2.1 209 88 B I E -DE 64 85A 28 -124,-3.1 -124,-2.6 -2,-0.5 2,-0.4 -0.941 29.7-148.7-128.7 150.2 45.0 31.8 2.9 210 89 B I E -DE 63 84A 0 -147,-2.1 -147,-2.6 -2,-0.3 2,-0.6 -0.965 25.2-136.1-107.4 132.3 48.7 31.5 3.9 211 90 B R E -D 62 0A 78 -128,-2.4 -128,-0.4 -2,-0.4 -149,-0.2 -0.815 17.8-172.3 -94.1 118.2 50.0 34.3 6.1 212 91 B F E -D 61 0A 0 -151,-2.6 -151,-2.5 -2,-0.6 6,-0.1 -0.908 24.1-136.6-108.2 98.6 53.4 35.5 5.1 213 92 B P E > -D 60 0A 32 0, 0.0 3,-1.4 0, 0.0 -153,-0.3 -0.273 6.0-133.3 -61.4 142.7 54.5 37.9 7.8 214 93 B W T 3 S+ 0 0 22 -155,-1.8 -154,-0.1 1,-0.3 4,-0.1 0.830 106.9 52.4 -61.5 -33.1 56.1 41.2 6.7 215 94 B H T 3 S+ 0 0 164 -156,-0.4 -1,-0.3 2,-0.1 -155,-0.1 0.436 103.5 68.6 -84.1 -2.9 58.9 40.7 9.3 216 95 B K S < S- 0 0 38 -3,-1.4 -4,-0.0 1,-0.1 0, 0.0 -0.836 96.7 -86.1-114.4 156.0 59.8 37.1 8.1 217 96 B P - 0 0 107 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 -0.251 38.1-128.3 -58.2 145.0 61.4 35.9 4.9 218 97 B L - 0 0 23 -4,-0.1 2,-1.2 -6,-0.1 3,-0.1 -0.906 14.7-141.8 -99.0 115.3 59.0 35.3 2.0 219 98 B D > + 0 0 56 -2,-0.6 4,-1.6 1,-0.2 3,-0.3 -0.639 21.3 179.8 -81.3 94.6 59.6 31.8 0.5 220 99 B E H > S+ 0 0 52 -2,-1.2 4,-3.3 1,-0.2 5,-0.2 0.794 78.3 62.6 -72.3 -25.4 59.2 32.4 -3.2 221 100 B Q H > S+ 0 0 114 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.908 104.1 48.7 -62.0 -41.2 59.9 28.7 -4.0 222 101 B L H > S+ 0 0 8 -3,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.930 112.7 47.0 -62.8 -45.9 56.7 27.8 -2.0 223 102 B I H X S+ 0 0 0 -4,-1.6 4,-2.4 2,-0.2 5,-0.2 0.951 112.9 50.2 -61.4 -47.6 54.7 30.5 -3.9 224 103 B H H X S+ 0 0 50 -4,-3.3 4,-3.0 1,-0.2 5,-0.2 0.941 112.0 47.3 -51.8 -52.9 56.2 29.1 -7.2 225 104 B D H X S+ 0 0 68 -4,-2.8 4,-2.5 1,-0.2 5,-0.2 0.901 110.2 52.3 -60.3 -40.0 55.2 25.5 -6.3 226 105 B L H X S+ 0 0 0 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.911 113.1 45.0 -59.9 -45.1 51.7 26.6 -5.2 227 106 B I H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 5,-0.2 0.940 112.2 50.8 -64.5 -48.0 51.2 28.3 -8.6 228 107 B A H X S+ 0 0 36 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.912 112.3 46.9 -59.6 -44.2 52.6 25.5 -10.6 229 108 B Y H X S+ 0 0 32 -4,-2.5 4,-2.5 -5,-0.2 -1,-0.2 0.913 113.5 48.0 -63.0 -42.4 50.4 22.9 -8.9 230 109 B T H X S+ 0 0 1 -4,-1.9 4,-2.1 -5,-0.2 -2,-0.2 0.925 110.3 51.9 -68.1 -42.2 47.3 25.0 -9.3 231 110 B I H X S+ 0 0 25 -4,-2.9 4,-0.6 2,-0.2 -1,-0.2 0.938 111.4 47.2 -56.0 -50.3 48.1 25.7 -13.0 232 111 B D H >< S+ 0 0 106 -4,-2.4 3,-1.1 1,-0.2 4,-0.3 0.933 112.8 49.2 -59.4 -47.4 48.4 22.0 -13.7 233 112 B Q H 3< S+ 0 0 83 -4,-2.5 3,-0.4 1,-0.2 -1,-0.2 0.821 113.0 47.2 -62.6 -30.0 45.2 21.2 -11.8 234 113 B K H >< S+ 0 0 14 -4,-2.1 3,-2.2 1,-0.2 -1,-0.2 0.413 76.6 110.6 -92.8 5.5 43.3 23.9 -13.7 235 114 B K T << S+ 0 0 97 -3,-1.1 -1,-0.2 -4,-0.6 -2,-0.1 0.832 93.2 24.6 -49.8 -44.2 44.5 22.9 -17.2 236 115 B D T 3 S+ 0 0 144 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.1 0.149 92.1 140.5-108.8 18.2 41.1 21.6 -18.2 237 116 B A < - 0 0 35 -3,-2.2 -3,-0.1 1,-0.1 5,-0.0 -0.355 34.0-168.9 -68.4 144.5 38.9 23.7 -15.8 238 117 B T + 0 0 138 3,-0.1 2,-0.3 -2,-0.1 -1,-0.1 0.261 67.1 58.0-117.1 5.7 35.6 25.2 -17.1 239 118 B T S S- 0 0 63 1,-0.1 -189,-0.2 -189,-0.1 4,-0.1 -0.927 79.4-123.1-130.1 160.6 34.8 27.5 -14.2 240 119 B F S S+ 0 0 41 -2,-0.3 -190,-3.0 -191,-0.2 2,-0.3 0.941 96.2 39.1 -65.3 -49.1 36.7 30.5 -12.6 241 120 B W S S- 0 0 67 -192,-0.2 2,-0.1 -3,-0.1 -3,-0.1 -0.749 96.0 -98.3-102.7 151.0 36.7 29.0 -9.1 242 121 B Q 0 0 41 -2,-0.3 -2,-0.1 1,-0.1 -1,-0.1 -0.455 360.0 360.0 -61.1 132.9 37.2 25.4 -7.9 243 122 B R 0 0 156 -2,-0.1 -1,-0.1 -4,-0.1 -43,-0.1 0.319 360.0 360.0-118.7 360.0 33.8 23.9 -7.3