==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 11-JUL-12 4G2A . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: LEGIONELLA PNEUMOPHILA SUBSP. PNEUMOPH . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 321 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16159.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 211 65.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 4.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 87 27.1 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 27 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 42 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.2 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 2 0 2 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 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 0 PARALLEL BRIDGES PER LADDER . 3 3 3 1 3 0 0 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 1 0 0 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 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 29 A N 0 0 124 0, 0.0 73,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 100.2 23.3 25.7 -10.2 2 30 A D + 0 0 119 1,-0.1 148,-2.4 147,-0.1 2,-0.4 0.804 360.0 39.3 -67.4 -40.1 20.9 28.2 -8.5 3 31 A T E -A 149 0A 39 146,-0.2 2,-0.8 147,-0.1 72,-0.6 -0.968 63.9-146.7-123.7 134.2 22.8 28.4 -5.2 4 32 A A E -Ab 148 75A 1 144,-3.3 144,-1.9 -2,-0.4 2,-0.3 -0.897 33.1-142.8 -95.9 103.4 26.4 28.4 -4.3 5 33 A V E + b 0 76A 48 70,-2.0 72,-2.5 -2,-0.8 141,-0.1 -0.597 26.8 174.5 -73.1 125.3 26.2 26.5 -0.9 6 34 A G - 0 0 0 -2,-0.3 139,-3.2 1,-0.3 -1,-0.1 0.529 43.9-105.1-110.0 -12.6 28.6 27.9 1.8 7 35 A G - 0 0 7 137,-0.2 140,-0.3 62,-0.1 -1,-0.3 -0.343 31.8-133.9 104.3 169.2 27.7 25.9 4.9 8 36 A E - 0 0 24 -2,-0.1 150,-0.2 135,-0.1 2,-0.1 -0.981 15.4 -99.6-156.4 165.0 25.8 26.7 8.1 9 37 A G E -c 158 0A 0 148,-1.5 150,-2.3 -2,-0.3 2,-0.3 -0.450 31.3-169.0 -87.9 159.4 25.7 26.4 11.8 10 38 A S E -c 159 0A 2 148,-0.2 150,-0.1 -2,-0.1 3,-0.1 -0.991 27.0-107.2-147.9 148.2 23.9 23.9 14.0 11 39 A L - 0 0 0 148,-1.7 2,-0.1 -2,-0.3 148,-0.0 -0.400 48.5 -99.2 -64.0 151.6 23.0 23.4 17.6 12 40 A P - 0 0 0 0, 0.0 53,-0.2 0, 0.0 -1,-0.1 -0.441 46.6-157.6 -67.4 150.2 24.9 20.5 19.4 13 41 A I E -H 64 0B 3 51,-2.9 51,-2.6 -3,-0.1 2,-0.2 -0.964 14.3-114.0-129.5 154.3 22.8 17.4 19.5 14 42 A P E -H 63 0B 7 0, 0.0 49,-0.2 0, 0.0 47,-0.0 -0.609 11.0-142.9 -85.1 148.4 22.7 14.2 21.6 15 43 A V S S+ 0 0 79 47,-1.7 48,-0.1 -2,-0.2 2,-0.1 0.882 90.5 17.4 -71.0 -38.9 23.5 10.8 20.1 16 44 A S S S- 0 0 93 46,-0.3 45,-0.0 -3,-0.0 0, 0.0 -0.050 102.8 -79.8-110.9-154.8 20.8 9.2 22.4 17 45 A Q + 0 0 185 -2,-0.1 2,-0.1 149,-0.0 149,-0.1 -0.804 59.0 177.1-116.3 80.3 17.8 10.6 24.5 18 46 A P - 0 0 23 0, 0.0 2,-1.0 0, 0.0 149,-0.3 -0.429 43.8-116.2 -87.9 167.6 19.5 12.0 27.7 19 47 A H S S+ 0 0 95 -2,-0.1 35,-2.3 147,-0.1 36,-0.5 -0.454 76.3 122.8 -94.8 56.7 18.0 13.8 30.7 20 48 A I E -K 53 0C 0 -2,-1.0 147,-2.0 33,-0.2 2,-0.3 -0.993 47.2-156.9-120.7 123.5 20.1 16.9 29.8 21 49 A K E -K 52 0C 64 31,-2.5 31,-3.0 -2,-0.4 2,-0.6 -0.822 15.8-132.2-107.4 142.7 18.3 20.3 29.1 22 50 A X E +K 51 0C 3 145,-0.4 29,-0.2 148,-0.4 3,-0.1 -0.849 29.2 174.8 -89.0 112.8 19.7 23.2 27.1 23 51 A V E + 0 0 47 27,-2.7 150,-2.3 -2,-0.6 2,-0.3 0.720 57.3 1.6-100.1 -21.9 19.1 26.2 29.3 24 52 A S E -Kl 50 173C 22 26,-1.1 26,-2.6 148,-0.3 -1,-0.3 -0.983 52.1-166.5-162.9 153.5 20.8 29.0 27.3 25 53 A E E -Kl 49 174C 0 148,-2.4 150,-1.7 -2,-0.3 2,-0.4 -0.975 7.3-164.8-140.7 149.4 22.7 29.8 24.0 26 54 A L E -Kl 48 175C 96 22,-2.2 22,-2.4 -2,-0.3 2,-0.6 -0.915 18.9-178.4-137.1 97.7 24.7 32.8 22.9 27 55 A I E -Kl 47 176C 1 148,-3.2 150,-2.9 -2,-0.4 2,-0.5 -0.926 6.2-177.2-113.7 113.9 25.2 32.6 19.1 28 56 A R E -Kl 46 177C 106 18,-2.5 18,-2.5 -2,-0.6 2,-0.5 -0.945 2.8-173.0-112.8 120.2 27.2 35.3 17.3 29 57 A I E -Kl 45 178C 1 148,-3.1 150,-2.8 -2,-0.5 2,-0.5 -0.982 10.6-171.6-119.6 110.2 27.5 35.0 13.5 30 58 A S E -Kl 44 179C 18 14,-2.7 14,-2.7 -2,-0.5 2,-0.2 -0.949 11.6-139.2-115.5 128.9 29.9 37.6 12.1 31 59 A G E -K 43 0C 4 148,-3.2 2,-0.3 -2,-0.5 12,-0.2 -0.510 15.4-175.5 -86.8 148.5 30.5 38.4 8.4 32 60 A K E S-K 42 0C 139 10,-1.9 10,-2.3 -2,-0.2 149,-0.1 -0.984 70.5 -4.6-141.9 135.0 33.8 39.1 6.5 33 61 A N S > S+ 0 0 60 -2,-0.3 3,-1.2 8,-0.2 7,-0.3 0.698 77.5 145.9 54.2 32.0 34.3 40.1 2.8 34 62 A L T 3 + 0 0 6 146,-0.4 7,-0.1 1,-0.3 -1,-0.1 0.707 69.9 49.0 -71.8 -20.9 30.5 39.8 2.1 35 63 A N T 3 S+ 0 0 51 201,-0.1 -1,-0.3 199,-0.1 201,-0.1 0.144 82.3 116.5-102.0 14.8 30.6 42.8 -0.4 36 64 A E X - 0 0 78 -3,-1.2 3,-1.6 1,-0.1 5,-0.2 -0.731 63.2-143.6 -84.1 127.5 33.6 41.4 -2.4 37 65 A P T 3 S+ 0 0 49 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.701 95.3 74.9 -67.3 -15.0 32.6 40.6 -6.0 38 66 A Q T 3 S- 0 0 114 1,-0.1 -3,-0.0 2,-0.0 -2,-0.0 0.495 102.8-129.9 -69.1 -10.9 35.0 37.6 -5.9 39 67 A X < + 0 0 46 -3,-1.6 39,-0.4 -6,-0.1 107,-0.2 0.862 66.1 134.7 58.4 45.0 32.4 35.8 -3.7 40 68 A N + 0 0 41 -7,-0.3 40,-1.5 -4,-0.2 -1,-0.1 -0.059 28.8 142.4-111.4 30.6 35.0 34.9 -1.0 41 69 A G - 0 0 4 -5,-0.2 105,-1.2 105,-0.2 2,-0.3 -0.242 28.7-167.5 -69.2 156.2 32.7 36.0 1.9 42 70 A S E -KM 32 145C 15 -10,-2.3 -10,-1.9 103,-0.2 2,-0.4 -0.956 18.3-140.6-145.2 159.0 32.6 34.1 5.2 43 71 A W E -KM 31 144C 2 101,-1.7 101,-1.9 -2,-0.3 2,-0.5 -0.992 14.1-153.9-121.0 132.4 30.7 33.8 8.4 44 72 A H E -KM 30 143C 67 -14,-2.7 -14,-2.7 -2,-0.4 2,-0.5 -0.953 10.7-157.2-110.9 119.6 32.4 33.3 11.8 45 73 A Y E -KM 29 142C 1 97,-2.6 97,-1.5 -2,-0.5 2,-0.5 -0.879 15.1-179.9-103.1 122.2 30.3 31.5 14.5 46 74 A N E +KM 28 141C 44 -18,-2.5 -18,-2.5 -2,-0.5 2,-0.5 -0.982 19.6 179.1-117.9 107.1 31.1 31.9 18.2 47 75 A C E -KM 27 140C 0 93,-2.4 93,-2.7 -2,-0.5 2,-0.3 -0.968 14.7-171.6-119.6 130.5 28.5 29.8 20.0 48 76 A N E -KM 26 139C 36 -22,-2.4 -22,-2.2 -2,-0.5 2,-0.3 -0.886 7.3-174.2-116.5 144.9 28.0 29.2 23.7 49 77 A F E -KM 25 138C 0 89,-2.4 89,-2.6 -2,-0.3 2,-0.5 -0.996 13.9-153.8-140.5 140.7 25.6 26.7 25.2 50 78 A T E -KM 24 137C 27 -26,-2.6 -27,-2.7 -2,-0.3 -26,-1.1 -0.976 16.7-174.0-118.6 123.8 24.6 25.9 28.8 51 79 A F E -KM 22 136C 0 85,-2.2 85,-2.3 -2,-0.5 2,-0.4 -0.942 8.3-154.2-117.5 142.6 23.4 22.4 29.5 52 80 A K E -KM 21 135C 60 -31,-3.0 -31,-2.5 -2,-0.4 2,-0.6 -0.975 13.4-138.8-123.5 129.7 21.9 21.1 32.8 53 81 A N E -K 20 0C 0 81,-3.1 -33,-0.2 -2,-0.4 -2,-0.0 -0.717 16.1-169.6 -76.0 115.4 21.9 17.5 34.1 54 82 A T + 0 0 37 -35,-2.3 2,-0.3 -2,-0.6 -1,-0.1 0.524 60.4 87.5 -89.5 -3.4 18.4 17.1 35.6 55 83 A L S S- 0 0 53 -36,-0.5 78,-2.2 2,-0.2 2,-1.5 -0.734 80.7-130.1 -94.2 142.2 19.3 13.8 37.2 56 84 A N S S+ 0 0 128 -2,-0.3 2,-0.3 76,-0.2 -1,-0.1 -0.234 85.3 73.8 -87.7 53.3 20.9 13.6 40.7 57 85 A K S S- 0 0 132 -2,-1.5 76,-0.4 74,-0.2 2,-0.2 -0.974 92.7 -87.3-156.2 157.3 23.6 11.2 39.3 58 86 A E - 0 0 115 -2,-0.3 2,-0.4 74,-0.1 -2,-0.1 -0.500 45.3-170.7 -69.7 130.5 26.8 11.4 37.1 59 87 A V E - I 0 130B 26 71,-2.6 71,-3.7 -2,-0.2 2,-0.5 -0.990 14.3-160.6-129.8 138.7 26.0 11.0 33.4 60 88 A T E + I 0 129B 81 -2,-0.4 2,-0.3 69,-0.2 69,-0.2 -0.988 21.9 171.7-118.0 119.4 28.4 10.6 30.4 61 89 A I E - I 0 128B 24 67,-2.6 67,-2.5 -2,-0.5 2,-0.5 -0.927 31.8-126.3-129.2 154.8 27.0 11.4 27.0 62 90 A S E - I 0 127B 32 -2,-0.3 -47,-1.7 65,-0.2 2,-0.3 -0.869 27.0-160.8 -99.6 126.7 28.3 11.8 23.5 63 91 A X E -HI 14 126B 0 63,-3.0 63,-2.1 -2,-0.5 2,-0.4 -0.872 3.4-157.7-107.3 149.6 27.5 15.1 21.8 64 92 A A E -HI 13 125B 0 -51,-2.6 -51,-2.9 -2,-0.3 61,-0.2 -0.985 16.1-153.8-133.5 141.3 27.6 15.8 18.1 65 93 A F E - I 0 124B 0 59,-2.6 59,-1.8 -2,-0.4 2,-0.1 -0.945 26.4-153.5-105.5 102.7 27.9 18.9 15.8 66 94 A P E + I 0 123B 1 0, 0.0 57,-0.3 0, 0.0 43,-0.0 -0.485 18.2 177.1 -78.2 152.3 26.2 18.0 12.5 67 95 A F E - I 0 122B 0 55,-2.3 55,-0.6 -2,-0.1 54,-0.2 -0.999 30.6-110.0-151.5 153.2 27.3 19.7 9.3 68 96 A P - 0 0 17 0, 0.0 22,-2.3 0, 0.0 2,-0.3 -0.422 36.5-154.1 -76.4 159.5 26.7 19.8 5.5 69 97 A I B -R 89 0D 44 20,-0.2 2,-0.9 21,-0.1 20,-0.2 -0.854 28.4 -94.5-127.8 168.4 29.4 18.5 3.2 70 98 A N + 0 0 13 18,-3.0 17,-3.8 15,-0.4 18,-0.2 -0.750 42.9 173.5 -81.6 106.1 30.7 19.0 -0.4 71 99 A D - 0 0 92 -2,-0.9 -1,-0.2 15,-0.2 15,-0.1 0.377 49.4-113.5 -97.8 5.7 28.8 16.2 -2.1 72 100 A G S S+ 0 0 48 2,-0.2 -2,-0.1 13,-0.1 14,-0.1 0.467 94.9 97.8 76.7 8.3 29.9 17.3 -5.6 73 101 A N S S+ 0 0 131 2,-0.1 2,-0.3 -72,-0.0 -3,-0.1 0.620 78.8 45.9 -96.1 -21.9 26.4 18.2 -6.8 74 102 A S S S- 0 0 37 -73,-0.1 2,-0.2 -69,-0.0 -2,-0.2 -0.824 84.5 -99.2-126.2 164.3 26.5 21.9 -6.2 75 103 A E E -b 4 0A 85 -72,-0.6 -70,-2.0 -2,-0.3 2,-0.4 -0.527 44.8-133.8 -71.9 139.6 28.6 25.1 -6.6 76 104 A I E -b 5 0A 34 -72,-0.3 2,-0.7 -2,-0.2 -70,-0.2 -0.886 5.8-144.5-107.8 139.3 30.4 25.9 -3.4 77 105 A A - 0 0 2 -72,-2.5 68,-0.3 -2,-0.4 -37,-0.1 -0.922 30.6-162.6 -95.3 104.6 30.7 29.3 -1.7 78 106 A L - 0 0 52 -2,-0.7 68,-0.1 -39,-0.4 3,-0.1 -0.802 15.1-125.7 -96.2 136.5 34.2 29.3 -0.3 79 107 A P > - 0 0 7 0, 0.0 3,-1.7 0, 0.0 -38,-0.2 -0.380 45.7 -86.4 -71.5 156.4 35.7 31.6 2.4 80 108 A A T 3 S+ 0 0 48 -40,-1.5 3,-0.1 1,-0.2 -41,-0.0 -0.439 116.6 21.0 -65.9 134.0 38.9 33.4 1.5 81 109 A G T 3 S+ 0 0 84 1,-0.3 2,-0.3 -2,-0.1 -1,-0.2 0.454 103.2 109.6 87.5 4.7 42.0 31.3 2.2 82 110 A Q < - 0 0 65 -3,-1.7 2,-0.3 10,-0.0 -1,-0.3 -0.867 49.8-157.3-115.1 149.7 40.0 27.9 2.2 83 111 A Q - 0 0 172 -2,-0.3 2,-0.3 -3,-0.1 -3,-0.0 -0.834 12.2-169.5-118.0 153.6 40.0 25.0 -0.2 84 112 A T + 0 0 24 -2,-0.3 2,-0.3 -8,-0.0 6,-0.1 -0.882 11.9 164.3-137.9 167.1 37.2 22.4 -0.7 85 113 A N > - 0 0 118 -2,-0.3 3,-1.8 4,-0.1 -15,-0.4 -0.910 52.4 -53.9-172.3 167.1 36.5 19.1 -2.5 86 114 A V T 3 S+ 0 0 101 -2,-0.3 -15,-0.2 1,-0.2 3,-0.1 -0.254 121.6 21.7 -53.3 133.0 34.0 16.3 -2.5 87 115 A G T 3 S+ 0 0 31 -17,-3.8 -1,-0.2 1,-0.3 2,-0.2 0.238 94.2 123.0 92.3 -11.3 33.5 14.8 1.0 88 116 A Q < - 0 0 87 -3,-1.8 -18,-3.0 -18,-0.2 -1,-0.3 -0.609 66.3-106.2 -86.5 146.8 34.8 17.8 3.0 89 117 A A B -R 69 0D 8 -20,-0.2 -20,-0.2 -2,-0.2 -1,-0.1 -0.310 12.6-137.2 -64.9 146.5 32.8 19.7 5.6 90 118 A L S S+ 0 0 1 -22,-2.3 55,-0.4 -82,-0.1 2,-0.3 -0.059 86.7 87.3 -96.7 33.4 31.4 23.1 4.7 91 119 A V - 0 0 7 53,-0.1 2,-0.4 -23,-0.1 53,-0.2 -0.960 68.9-151.5-130.2 135.4 32.6 24.1 8.2 92 120 A Y E -N 143 0C 16 51,-2.8 51,-1.9 -2,-0.3 -2,-0.0 -0.972 63.6 -6.8-124.7 135.9 36.2 25.3 8.8 93 121 A D E S- 0 0 114 -2,-0.4 2,-0.3 1,-0.2 -1,-0.2 0.894 75.5-164.1 52.8 50.0 38.6 25.1 11.8 94 122 A F E - 0 0 27 -3,-0.2 2,-0.4 48,-0.1 48,-0.2 -0.524 9.7-177.9 -65.3 123.7 35.9 23.7 14.1 95 123 A L E -N 141 0C 69 46,-2.6 46,-1.6 -2,-0.3 2,-0.4 -1.000 5.7-171.0-127.7 128.8 37.0 24.0 17.7 96 124 A V E -NO 140 103C 2 7,-0.5 7,-2.5 -2,-0.4 2,-0.4 -0.971 2.6-167.2-123.1 134.5 34.9 22.8 20.7 97 125 A T E -NO 139 102C 26 42,-1.8 42,-1.9 -2,-0.4 2,-0.5 -0.973 8.4-154.3-118.7 135.4 35.7 23.4 24.4 98 126 A V E > S-NO 138 101C 21 3,-3.1 3,-1.9 -2,-0.4 40,-0.2 -0.977 86.8 -11.5-111.2 117.5 33.9 21.5 27.3 99 127 A N T 3 S- 0 0 89 38,-3.0 -1,-0.2 -2,-0.5 39,-0.1 0.912 132.9 -54.9 52.8 46.0 33.8 23.6 30.5 100 128 A D T 3 S+ 0 0 129 37,-0.3 2,-0.5 -3,-0.2 -1,-0.3 0.411 116.5 117.3 65.1 12.4 36.3 26.0 28.8 101 129 A K E < -O 98 0C 156 -3,-1.9 -3,-3.1 1,-0.0 -1,-0.2 -0.908 69.6-120.5-106.0 124.7 38.8 23.1 28.1 102 130 A Q E -O 97 0C 128 -2,-0.5 2,-0.3 -5,-0.3 -5,-0.3 -0.395 35.0-164.3 -65.7 130.3 39.5 22.4 24.4 103 131 A V E -O 96 0C 44 -7,-2.5 -7,-0.5 -2,-0.1 2,-0.2 -0.884 25.3-101.9-120.1 153.5 38.6 18.8 23.4 104 132 A S - 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0 0 20 -4,-0.9 3,-0.6 -5,-0.3 4,-0.1 -0.236 61.0-143.6 -57.4 140.3 15.6 41.7 -20.8 251 279 A D T 3 S+ 0 0 154 1,-0.2 3,-0.2 2,-0.1 -1,-0.1 0.826 101.6 32.1 -74.9 -38.3 14.1 40.5 -24.2 252 280 A D T 3> S+ 0 0 40 1,-0.2 4,-3.3 2,-0.1 5,-0.3 -0.289 78.6 151.4-113.5 40.9 13.4 44.0 -25.5 253 281 A A H <> S+ 0 0 8 -3,-0.6 4,-2.5 1,-0.2 5,-0.2 0.810 71.5 42.9 -43.5 -50.6 16.5 45.7 -23.8 254 282 A L H > S+ 0 0 68 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.910 119.0 44.1 -69.5 -40.1 17.0 48.5 -26.4 255 283 A S H > S+ 0 0 70 -3,-0.2 4,-0.9 2,-0.2 -2,-0.2 0.890 116.5 47.3 -66.1 -44.0 13.3 49.3 -26.8 256 284 A K H < S+ 0 0 89 -4,-3.3 3,-0.4 2,-0.2 -2,-0.2 0.876 111.1 50.6 -66.8 -41.6 12.8 49.1 -22.9 257 285 A L H >< S+ 0 0 1 -4,-2.5 3,-1.3 -5,-0.3 -1,-0.2 0.857 106.9 54.7 -65.6 -37.0 15.9 51.4 -22.2 258 286 A A H 3< S+ 0 0 47 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.765 99.4 63.3 -65.4 -27.1 14.5 54.0 -24.8 259 287 A R T 3< S+ 0 0 173 -4,-0.9 -1,-0.2 -3,-0.4 -2,-0.2 0.481 82.7 106.2 -73.6 -11.0 11.2 54.0 -22.7 260 288 A L S < S- 0 0 31 -3,-1.3 -3,-0.0 -4,-0.2 2,-0.0 -0.511 76.3-115.4 -73.9 143.8 13.1 55.4 -19.7 261 289 A S > - 0 0 53 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.274 32.5-105.2 -69.3 162.8 12.7 59.1 -18.6 262 290 A N H > S+ 0 0 136 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.885 123.7 48.8 -61.3 -35.6 15.9 61.3 -18.9 263 291 A K H > S+ 0 0 145 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.916 111.4 48.9 -66.1 -47.4 16.2 61.2 -15.0 264 292 A E H > S+ 0 0 107 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.892 113.2 46.6 -61.3 -44.0 15.8 57.4 -14.9 265 293 A L H X S+ 0 0 17 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.848 112.5 50.4 -67.5 -35.7 18.4 56.8 -17.7 266 294 A R H X S+ 0 0 87 -4,-1.7 4,-1.9 -5,-0.2 -2,-0.2 0.942 114.5 43.7 -68.2 -44.9 20.9 59.3 -16.0 267 295 A F H X S+ 0 0 45 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.881 113.2 52.5 -66.3 -39.2 20.4 57.5 -12.6 268 296 A L H X S+ 0 0 12 -4,-2.6 4,-0.8 1,-0.2 -1,-0.2 0.901 111.3 46.2 -61.9 -46.9 20.7 54.0 -14.2 269 297 A R H < S+ 0 0 96 -4,-2.1 4,-0.5 1,-0.2 3,-0.5 0.875 115.0 45.3 -60.8 -46.7 24.0 54.9 -16.0 270 298 A N H >X S+ 0 0 17 -4,-1.9 4,-2.2 1,-0.2 3,-0.7 0.781 102.4 65.1 -75.4 -22.9 25.6 56.4 -12.9 271 299 A T H 3X S+ 0 0 5 -4,-1.9 4,-1.5 1,-0.2 -1,-0.2 0.786 92.5 65.2 -64.9 -30.6 24.4 53.4 -10.7 272 300 A I H 3< S+ 0 0 0 -4,-0.8 -1,-0.2 -3,-0.5 -2,-0.2 0.862 113.6 31.3 -60.1 -36.5 26.8 51.3 -12.8 273 301 A Y H X4>S+ 0 0 47 -3,-0.7 3,-1.4 -4,-0.5 5,-1.2 0.756 111.8 62.4 -90.3 -36.3 29.7 53.3 -11.4 274 302 A A H ><5S+ 0 0 2 -4,-2.2 3,-1.1 1,-0.3 22,-0.4 0.704 88.8 75.9 -63.0 -24.9 28.1 54.0 -7.9 275 303 A Q T 3<5S+ 0 0 13 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.770 101.8 38.1 -51.7 -38.0 28.2 50.2 -7.5 276 304 A Y T < 5S- 0 0 20 -3,-1.4 -1,-0.3 -4,-0.1 -2,-0.2 0.285 126.8 -97.4-104.4 5.7 32.0 50.6 -6.8 277 305 A G T < 5 + 0 0 1 -3,-1.1 21,-3.0 1,-0.2 24,-0.3 0.781 53.3 179.4 84.0 33.1 31.8 53.8 -4.8 278 306 A R < - 0 0 88 -5,-1.2 2,-0.4 19,-0.2 -1,-0.2 -0.360 30.0-121.7 -62.5 139.9 32.5 56.5 -7.4 279 307 A Q - 0 0 99 19,-0.2 2,-0.5 18,-0.1 -1,-0.1 -0.746 24.4-143.6 -89.2 133.1 32.4 60.0 -5.8 280 308 A F - 0 0 9 -2,-0.4 9,-0.0 1,-0.1 -1,-0.0 -0.880 22.5-178.5-106.8 129.4 29.8 62.3 -7.5 281 309 A Q + 0 0 166 -2,-0.5 -1,-0.1 5,-0.0 3,-0.0 0.711 62.1 93.3 -90.8 -27.4 30.4 66.1 -8.0 282 310 A S S > S- 0 0 51 1,-0.1 4,-3.0 4,-0.0 3,-0.5 -0.556 74.3-139.7 -73.0 125.1 27.0 66.8 -9.6 283 311 A P H > S+ 0 0 97 0, 0.0 4,-2.6 0, 0.0 5,-0.3 0.885 100.3 53.6 -54.9 -45.4 24.4 67.8 -6.9 284 312 A D H > S+ 0 0 74 1,-0.2 4,-1.2 2,-0.2 5,-0.0 0.861 118.0 37.2 -56.6 -40.0 21.5 65.8 -8.4 285 313 A L H > S+ 0 0 4 -3,-0.5 4,-2.5 2,-0.2 5,-0.3 0.875 114.0 55.8 -77.9 -43.6 23.7 62.6 -8.4 286 314 A Q H X S+ 0 0 94 -4,-3.0 4,-1.4 1,-0.2 -2,-0.2 0.924 113.8 40.7 -50.8 -54.4 25.5 63.4 -5.0 287 315 A E H X S+ 0 0 117 -4,-2.6 4,-1.0 2,-0.2 -1,-0.2 0.792 113.7 54.6 -65.6 -40.1 22.1 63.7 -3.2 288 316 A Y H < S+ 0 0 59 -4,-1.2 3,-0.3 -5,-0.3 -2,-0.2 0.918 114.2 37.7 -64.2 -50.7 20.5 60.6 -5.0 289 317 A F H >< S+ 0 0 0 -4,-2.5 3,-1.3 1,-0.2 6,-0.3 0.752 106.2 67.5 -77.5 -21.8 23.3 58.2 -4.1 290 318 A S H 3< S+ 0 0 83 -4,-1.4 -1,-0.2 -5,-0.3 -2,-0.2 0.878 103.2 47.7 -61.2 -34.2 23.7 59.7 -0.6 291 319 A K T 3< S+ 0 0 148 -4,-1.0 2,-0.5 -3,-0.3 -1,-0.3 0.372 91.1 99.3 -87.6 1.0 20.1 58.4 0.1 292 320 A K X - 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0 0 49 -26,-0.1 3,-1.9 1,-0.0 4,-0.1 -0.971 45.4-125.0-150.6 146.5 38.8 53.5 -10.4 303 331 A D G > S+ 0 0 96 -2,-0.3 3,-2.0 1,-0.3 -2,-0.0 0.743 106.1 78.9 -65.2 -18.2 37.0 52.9 -13.7 304 332 A R G 3 S+ 0 0 232 1,-0.3 -1,-0.3 -3,-0.0 -3,-0.0 0.679 78.4 72.4 -61.0 -19.0 39.2 49.6 -13.9 305 333 A X G < S+ 0 0 79 -3,-1.9 -1,-0.3 -32,-0.1 2,-0.2 0.659 71.6 106.9 -70.8 -19.0 36.5 48.2 -11.4 306 334 A L < - 0 0 16 -3,-2.0 2,-0.1 -4,-0.1 -33,-0.1 -0.466 59.0-156.4 -68.3 127.3 33.9 48.0 -14.2 307 335 A N > - 0 0 33 -2,-0.2 4,-2.0 1,-0.0 5,-0.1 -0.277 34.3 -87.6 -94.7-178.7 33.4 44.3 -15.3 308 336 A E H > S+ 0 0 146 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.835 126.4 53.4 -62.1 -36.7 32.1 42.8 -18.6 309 337 A E H > S+ 0 0 67 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.912 109.3 48.7 -64.7 -45.8 28.4 43.0 -17.5 310 338 A D H > S+ 0 0 1 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.930 112.3 48.0 -56.6 -52.6 28.8 46.8 -16.7 311 339 A K H X S+ 0 0 120 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.861 109.5 53.4 -59.1 -41.6 30.4 47.5 -20.1 312 340 A K H X S+ 0 0 128 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.881 110.2 47.8 -62.8 -40.2 27.6 45.5 -21.9 313 341 A L H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.923 112.0 48.7 -68.0 -42.1 24.9 47.6 -20.2 314 342 A L H X S+ 0 0 28 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.856 111.4 50.8 -63.4 -34.5 26.8 50.9 -21.1 315 343 A S H X S+ 0 0 59 -4,-2.2 4,-1.4 2,-0.2 -1,-0.2 0.874 110.0 49.9 -69.8 -38.3 27.1 49.6 -24.7 316 344 A X H X S+ 0 0 48 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.900 109.0 51.3 -66.0 -42.3 23.3 48.9 -24.7 317 345 A I H X S+ 0 0 1 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.925 108.3 52.9 -61.6 -42.3 22.5 52.4 -23.3 318 346 A N H < S+ 0 0 129 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.843 115.7 40.0 -61.0 -36.9 24.7 53.8 -26.2 319 347 A Q H < S+ 0 0 117 -4,-1.4 -1,-0.2 1,-0.1 -2,-0.2 0.734 107.9 61.7 -82.8 -32.6 22.6 51.8 -28.8 320 348 A A H < 0 0 20 -4,-2.4 -2,-0.2 -5,-0.1 -3,-0.2 0.895 360.0 360.0 -63.3 -41.7 19.2 52.4 -27.2 321 349 A K < 0 0 152 -4,-1.6 -63,-0.1 -5,-0.1 -64,-0.0 -0.010 360.0 360.0 -94.0 360.0 19.3 56.2 -27.6