==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 26-NOV-11 3UTO . COMPND 2 MOLECULE: TWITCHIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CAENORHABDITIS ELEGANS; . AUTHOR E.CASTELMUR,S.BARBIERI,O.MAYANS . 1125 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 47309.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 692 61.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 254 22.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 16 1.4 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 . 78 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 127 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 172 15.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 0.7 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 4 2 2 0 2 2 2 0 0 0 0 0 2 2 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 3 11 4 2 8 6 7 1 2 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 . 9 2 5 3 2 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 5 A P 0 0 112 0, 0.0 80,-0.3 0, 0.0 81,-0.2 0.000 360.0 360.0 360.0-176.1 26.8 14.3 4.0 2 6 A E - 0 0 72 79,-0.1 2,-0.1 1,-0.1 81,-0.1 -0.306 360.0 -99.9 -76.2 162.2 26.9 12.9 0.4 3 7 A P - 0 0 7 0, 0.0 82,-0.4 0, 0.0 26,-0.2 -0.468 37.8-110.5 -71.0 155.0 24.3 10.9 -1.4 4 8 A E - 0 0 87 24,-2.4 80,-0.1 1,-0.2 73,-0.1 -0.304 55.6 -74.5 -67.9 169.4 24.7 7.1 -1.6 5 9 A P - 0 0 48 0, 0.0 22,-0.3 0, 0.0 -1,-0.2 -0.328 53.1 -97.3 -69.7 154.8 25.5 5.9 -5.1 6 10 A P - 0 0 2 0, 0.0 2,-0.3 0, 0.0 69,-0.1 -0.216 46.8-136.0 -58.8 162.6 22.7 5.7 -7.8 7 11 A R E +A 24 0A 46 17,-2.8 17,-2.5 1,-0.2 80,-0.0 -0.833 57.3 14.3-126.5 159.6 21.1 2.3 -8.3 8 12 A F E - 0 0 25 -2,-0.3 -1,-0.2 15,-0.2 2,-0.1 0.825 63.6-165.2 55.6 50.8 20.0 -0.1 -10.9 9 13 A P E - 0 0 15 0, 0.0 2,-0.4 0, 0.0 14,-0.3 -0.422 6.8-171.0 -65.9 138.7 21.6 1.1 -14.1 10 14 A I E -A 22 0A 10 12,-2.5 12,-2.5 -2,-0.1 2,-1.2 -1.000 28.8-137.7-133.1 135.0 20.2 -0.4 -17.3 11 15 A I E -A 21 0A 23 -2,-0.4 10,-0.2 10,-0.2 3,-0.1 -0.804 30.8-179.5 -84.7 94.7 21.4 -0.1 -20.9 12 16 A E E - 0 0 24 8,-1.6 96,-0.5 -2,-1.2 2,-0.3 0.804 54.4 -23.7 -69.7 -34.0 17.9 0.4 -22.2 13 17 A N E -A 20 0A 28 7,-1.2 7,-2.9 -3,-0.1 2,-0.5 -0.979 42.7-130.5-170.7 155.6 18.8 0.6 -25.9 14 18 A I E +A 19 0A 44 -2,-0.3 2,-0.5 5,-0.2 5,-0.2 -0.943 34.6 176.6-118.0 106.8 21.5 1.4 -28.5 15 19 A L - 0 0 75 3,-2.0 2,-0.6 -2,-0.5 3,-0.4 -0.919 62.0 -31.4-121.7 107.9 19.8 3.7 -31.0 16 20 A D S S- 0 0 138 -2,-0.5 47,-0.0 1,-0.2 -2,-0.0 -0.859 124.2 -36.3 83.3-114.4 22.1 5.1 -33.9 17 21 A E S S+ 0 0 101 -2,-0.6 48,-0.7 79,-0.1 2,-0.3 -0.051 123.4 97.2-119.6 27.7 25.7 5.3 -32.4 18 22 A A - 0 0 8 -3,-0.4 -3,-2.0 46,-0.1 2,-0.4 -0.890 65.7-136.4-130.9 143.3 24.2 6.3 -29.0 19 23 A V E -AB 14 62A 0 43,-2.2 43,-3.6 -2,-0.3 2,-0.6 -0.834 8.4-146.0-106.6 135.6 23.3 4.5 -25.8 20 24 A I E -AB 13 61A 8 -7,-2.9 -8,-1.6 -2,-0.4 -7,-1.2 -0.920 25.5-171.5 -99.8 121.5 20.1 5.1 -23.8 21 25 A L E -AB 11 60A 0 39,-2.7 39,-2.1 -2,-0.6 2,-0.3 -0.932 10.1-176.6-121.8 133.3 20.8 4.7 -20.1 22 26 A S E +AB 10 59A 1 -12,-2.5 -12,-2.5 -2,-0.4 2,-0.3 -0.874 10.2 156.0-122.2 160.8 18.5 4.5 -17.1 23 27 A W E - 0 0 0 35,-2.3 -15,-0.2 -2,-0.3 35,-0.1 -0.895 30.4-117.4-160.2-173.3 19.1 4.3 -13.4 24 28 A K E -A 7 0A 28 -17,-2.5 -17,-2.8 -2,-0.3 3,-0.1 -0.950 32.8 -93.3-136.3 157.6 17.4 5.1 -10.1 25 29 A P - 0 0 50 0, 0.0 4,-0.1 0, 0.0 406,-0.0 -0.236 49.6 -93.6 -66.5 158.6 18.1 7.5 -7.2 26 30 A P - 0 0 11 0, 0.0 8,-0.1 0, 0.0 3,-0.1 -0.345 28.3-122.3 -62.2 153.6 20.0 6.3 -4.1 27 31 A A S S+ 0 0 70 -22,-0.3 2,-0.4 1,-0.2 -20,-0.0 0.904 102.7 37.7 -61.4 -41.2 17.8 5.0 -1.2 28 32 A L - 0 0 109 -23,-0.2 -24,-2.4 1,-0.1 -1,-0.2 -0.946 60.2-171.7-117.4 132.9 19.5 7.7 1.0 29 33 A D - 0 0 53 -2,-0.4 3,-0.3 -26,-0.2 -1,-0.1 0.277 52.9-106.4-103.1 8.8 20.5 11.1 -0.2 30 34 A G S S- 0 0 24 1,-0.2 3,-0.1 49,-0.0 -2,-0.0 0.654 74.4 -58.6 75.4 17.1 22.5 12.1 2.9 31 35 A G S S+ 0 0 74 1,-0.1 2,-0.3 0, 0.0 -1,-0.2 0.743 121.6 85.2 83.9 27.9 19.8 14.4 4.1 32 36 A S S S- 0 0 24 -3,-0.3 -1,-0.1 -30,-0.0 3,-0.1 -0.923 86.7 -93.2-162.5 132.3 19.8 16.7 1.1 33 37 A L - 0 0 137 -2,-0.3 2,-0.5 1,-0.1 47,-0.4 -0.133 36.9-115.5 -56.5 130.6 18.0 16.4 -2.3 34 38 A V - 0 0 25 1,-0.2 45,-0.3 45,-0.1 -1,-0.1 -0.574 35.2-174.8 -63.8 116.5 19.8 14.7 -5.1 35 39 A T - 0 0 89 43,-2.8 2,-0.3 -2,-0.5 44,-0.2 0.766 53.9 -21.3 -95.8 -31.1 20.1 17.7 -7.5 36 40 A N E -C 78 0B 27 42,-1.3 42,-2.2 2,-0.0 2,-0.4 -0.976 56.2-119.0-164.6 179.2 21.7 16.0 -10.6 37 41 A Y E -CD 77 55B 10 18,-3.2 18,-2.2 -2,-0.3 2,-0.5 -0.971 8.8-150.6-129.8 142.7 23.7 13.1 -12.0 38 42 A T E -CD 76 54B 3 38,-2.0 38,-2.5 -2,-0.4 2,-0.5 -0.956 13.1-155.1-110.1 127.8 27.0 12.7 -13.8 39 43 A I E -CD 75 53B 0 14,-2.9 13,-2.8 -2,-0.5 14,-1.6 -0.885 11.8-167.1-101.8 130.8 27.4 9.8 -16.2 40 44 A E E -CD 74 51B 27 34,-2.9 34,-2.0 -2,-0.5 2,-0.3 -0.879 1.4-157.7-116.6 151.7 31.0 8.6 -16.9 41 45 A K E -CD 73 50B 47 9,-3.0 9,-2.3 -2,-0.3 2,-0.3 -0.909 5.9-167.5-127.0 154.5 32.2 6.2 -19.6 42 46 A R E -C 72 0B 72 30,-1.8 30,-1.8 -2,-0.3 2,-0.3 -0.992 26.8-121.3-135.0 145.2 35.2 4.0 -20.1 43 47 A E E -C 71 0B 77 -2,-0.3 28,-0.2 5,-0.3 26,-0.0 -0.699 29.5-131.4 -78.9 137.4 36.6 2.2 -23.2 44 48 A A S S+ 0 0 30 26,-2.6 2,-1.2 -2,-0.3 -1,-0.1 0.953 92.4 68.5 -59.2 -57.1 36.6 -1.6 -22.4 45 49 A M S S- 0 0 175 25,-0.2 2,-0.4 -3,-0.1 -1,-0.1 -0.488 134.1 -48.5 -68.7 94.4 40.1 -2.6 -23.5 46 50 A G S S+ 0 0 57 -2,-1.2 -4,-0.0 1,-0.1 0, 0.0 -0.658 90.1 156.9 73.8-132.2 42.0 -0.6 -20.8 47 51 A G - 0 0 44 -2,-0.4 2,-0.3 -5,-0.1 -1,-0.1 0.501 39.7-109.3 97.0 137.3 40.5 2.9 -20.7 48 52 A S - 0 0 102 1,-0.0 2,-0.4 -7,-0.0 -5,-0.3 -0.764 34.3-109.9 -98.9 144.4 40.1 5.8 -18.3 49 53 A W + 0 0 52 -2,-0.3 -7,-0.2 -7,-0.1 24,-0.1 -0.582 46.3 168.3 -70.7 127.3 36.9 6.9 -16.7 50 54 A S E -D 41 0B 46 -9,-2.3 -9,-3.0 -2,-0.4 2,-0.1 -0.999 39.4-100.0-141.4 146.4 35.6 10.2 -18.1 51 55 A P E +D 40 0B 88 0, 0.0 -11,-0.3 0, 0.0 3,-0.1 -0.383 38.7 166.5 -61.0 135.6 32.4 12.2 -17.9 52 56 A C E + 0 0 38 -13,-2.8 2,-0.3 1,-0.4 11,-0.3 0.488 60.1 6.8-125.5 -13.5 30.2 11.8 -21.0 53 57 A A E -D 39 0B 20 -14,-1.6 -14,-2.9 9,-0.1 -1,-0.4 -0.987 51.4-147.7-162.3 159.8 26.8 13.3 -19.9 54 58 A K E +D 38 0B 138 -2,-0.3 2,-0.3 -16,-0.2 -16,-0.2 -0.967 20.8 174.8-127.2 150.6 24.9 15.1 -17.2 55 59 A S E -D 37 0B 15 -18,-2.2 -18,-3.2 -2,-0.3 5,-0.1 -0.992 35.1-159.4-154.4 145.7 21.2 14.8 -16.2 56 60 A R S S+ 0 0 194 -2,-0.3 2,-0.2 -20,-0.2 -1,-0.1 0.399 88.4 64.9 -97.6 -0.6 18.7 16.0 -13.7 57 61 A Y S S- 0 0 141 2,-0.3 -20,-0.1 -20,-0.1 2,-0.0 -0.701 96.7-109.4-113.6 167.7 16.5 13.0 -14.6 58 62 A T S S+ 0 0 38 -2,-0.2 -35,-2.3 -35,-0.1 2,-0.3 -0.097 97.4 50.8 -96.1 37.0 17.3 9.3 -14.0 59 63 A Y E +B 22 0A 88 -37,-0.2 -2,-0.3 2,-0.0 2,-0.3 -0.954 60.0 168.8-157.5 160.1 17.8 8.6 -17.7 60 64 A T E -B 21 0A 24 -39,-2.1 -39,-2.7 -2,-0.3 2,-0.6 -0.974 34.2-115.0-164.8 159.7 19.8 10.1 -20.6 61 65 A T E -B 20 0A 68 -2,-0.3 2,-0.7 -41,-0.2 -41,-0.2 -0.934 27.6-152.1-101.9 122.4 21.0 9.5 -24.1 62 66 A I E +B 19 0A 0 -43,-3.6 -43,-2.2 -2,-0.6 3,-0.2 -0.860 20.6 177.3 -99.7 114.1 24.7 9.2 -24.4 63 67 A E + 0 0 148 -2,-0.7 -45,-0.1 -11,-0.3 -47,-0.0 -0.425 49.4 60.1-104.1 178.7 26.0 10.3 -27.8 64 68 A G + 0 0 63 1,-0.3 2,-0.4 -2,-0.1 -1,-0.2 0.799 65.7 144.7 70.0 30.6 29.5 10.6 -29.3 65 69 A L - 0 0 9 -48,-0.7 2,-0.3 -3,-0.2 -1,-0.3 -0.846 50.6-119.5 -97.3 138.0 30.4 6.9 -28.9 66 70 A R > - 0 0 182 -2,-0.4 3,-1.5 1,-0.1 29,-0.3 -0.603 26.2-115.3 -81.4 132.8 32.6 5.3 -31.5 67 71 A A T 3 S+ 0 0 56 -2,-0.3 3,-0.1 1,-0.2 -1,-0.1 -0.404 99.9 26.9 -63.4 136.1 31.2 2.4 -33.5 68 72 A G T 3 S+ 0 0 55 27,-3.4 -1,-0.2 1,-0.3 2,-0.2 0.279 99.2 109.1 94.4 -8.8 33.1 -0.8 -33.0 69 73 A K < - 0 0 89 -3,-1.5 26,-2.4 26,-0.1 2,-0.4 -0.611 65.0-126.8 -98.0 157.6 34.2 0.1 -29.5 70 74 A Q E - E 0 94B 71 24,-0.2 -26,-2.6 -2,-0.2 2,-0.4 -0.887 27.7-173.2-103.8 136.5 33.1 -1.3 -26.1 71 75 A Y E -CE 43 93B 12 22,-1.9 22,-2.3 -2,-0.4 2,-0.3 -0.987 14.2-164.7-131.3 140.8 32.0 1.0 -23.4 72 76 A E E -C 42 0B 34 -30,-1.8 -30,-1.8 -2,-0.4 2,-0.3 -0.859 17.1-156.9-109.3 155.2 31.0 0.7 -19.7 73 77 A F E -C 41 0B 0 -2,-0.3 17,-2.8 -32,-0.2 2,-0.3 -0.944 12.3-177.3-132.3 154.4 29.1 3.4 -17.9 74 78 A R E -C 40 0B 55 -34,-2.0 -34,-2.9 -2,-0.3 2,-0.4 -0.974 15.8-138.2-145.4 158.6 28.6 4.5 -14.3 75 79 A I E -C 39 0B 0 -2,-0.3 12,-2.3 -36,-0.2 2,-0.4 -0.925 5.9-157.1-124.0 142.4 26.5 7.2 -12.6 76 80 A I E -C 38 0B 8 -38,-2.5 -38,-2.0 -2,-0.4 2,-0.3 -0.955 13.7-140.4-117.1 137.5 27.3 9.6 -9.8 77 81 A A E -C 37 0B 0 -2,-0.4 7,-3.0 8,-0.4 2,-0.4 -0.772 18.9-162.0 -97.4 141.0 24.7 11.3 -7.6 78 82 A E E +CF 36 83B 40 -42,-2.2 -43,-2.8 -2,-0.3 -42,-1.3 -0.979 16.7 161.5-128.0 136.8 25.0 14.9 -6.5 79 83 A N E > - F 0 82B 8 3,-2.3 3,-0.9 -2,-0.4 -45,-0.1 -0.694 60.8 -72.4-128.5-170.3 23.5 17.1 -3.8 80 84 A K T 3 S+ 0 0 172 -47,-0.4 3,-0.1 1,-0.2 -78,-0.1 0.805 130.6 50.4 -52.0 -34.9 24.4 20.4 -2.2 81 85 A H T 3 S- 0 0 99 -80,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.690 118.1-100.1 -84.8 -20.1 27.3 18.8 -0.3 82 86 A G E < -F 79 0B 24 -3,-0.9 -3,-2.3 -81,-0.2 2,-0.3 -0.986 56.3 -14.5 145.1-148.2 28.8 17.1 -3.3 83 87 A Q E -F 78 0B 96 -2,-0.3 -5,-0.2 -5,-0.2 2,-0.1 -0.686 45.2-134.5-100.8 144.4 29.2 13.8 -5.2 84 88 A S - 0 0 6 -7,-3.0 -80,-0.1 -2,-0.3 -1,-0.1 -0.381 42.2 -88.1 -74.6 166.9 28.4 10.2 -4.2 85 89 A K - 0 0 167 -82,-0.4 -8,-0.4 -2,-0.1 -1,-0.1 -0.499 59.3 -97.4 -62.6 147.7 30.7 7.4 -4.9 86 90 A P - 0 0 47 0, 0.0 -10,-0.2 0, 0.0 -1,-0.1 -0.475 39.2-111.0 -71.0 147.2 30.0 6.1 -8.4 87 91 A C - 0 0 5 -12,-2.3 -80,-0.1 1,-0.1 3,-0.1 -0.311 47.9 -77.7 -67.4 157.8 27.7 3.1 -8.8 88 92 A E - 0 0 44 1,-0.1 -13,-0.2 -14,-0.1 -1,-0.1 -0.347 64.6-104.9 -49.7 136.8 29.2 -0.2 -10.0 89 93 A P - 0 0 48 0, 0.0 -15,-0.2 0, 0.0 -1,-0.1 -0.245 29.5-104.7 -71.2 158.6 29.5 0.1 -13.7 90 94 A T - 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0 0 0 -2,-0.3 3,-1.9 142,-0.2 4,-0.6 -0.887 61.3 -64.5-158.9-171.1 24.6 -25.2 4.4 322 332 A Y H >> S+ 0 0 12 1,-0.3 3,-1.4 -2,-0.2 4,-1.1 0.892 126.0 66.9 -55.5 -36.5 21.0 -26.4 4.3 323 333 A Y H 3> S+ 0 0 17 1,-0.3 4,-1.4 2,-0.2 -1,-0.3 0.698 86.3 68.5 -59.1 -19.7 20.9 -25.1 7.9 324 334 A T H <> S+ 0 0 7 -3,-1.9 4,-1.1 1,-0.2 -1,-0.3 0.858 100.3 47.5 -68.8 -35.6 21.2 -21.6 6.5 325 335 A D H S- 0 0 74 -40,-0.0 4,-2.4 1,-0.0 3,-0.4 -0.943 85.2 -83.6-155.3 174.5 20.0 0.1 10.9 348 358 A D H > S+ 0 0 101 -2,-0.3 4,-1.6 1,-0.2 5,-0.1 0.774 124.1 54.5 -56.2 -29.6 21.7 -2.8 9.1 349 359 A D H > S+ 0 0 98 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.906 110.0 44.3 -72.9 -44.0 24.7 -2.6 11.5 350 360 A E H > S+ 0 0 46 -3,-0.4 4,-2.0 2,-0.2 -2,-0.2 0.903 112.4 53.8 -64.1 -43.6 22.6 -2.9 14.7 351 361 A T H X S+ 0 0 4 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.876 107.8 49.6 -58.1 -41.7 20.6 -5.8 13.1 352 362 A L H X S+ 0 0 41 -4,-1.6 4,-2.9 2,-0.2 -1,-0.2 0.847 106.8 53.8 -73.5 -34.0 23.7 -7.8 12.2 353 363 A R H X S+ 0 0 133 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.924 109.6 50.4 -62.3 -39.6 25.1 -7.4 15.8 354 364 A N H <>S+ 0 0 33 -4,-2.0 5,-2.9 -11,-0.2 4,-0.3 0.914 113.2 45.5 -60.2 -45.1 21.8 -8.9 17.0 355 365 A V H ><5S+ 0 0 0 -4,-1.9 3,-1.3 3,-0.2 -2,-0.2 0.943 111.1 52.0 -62.6 -49.3 22.1 -11.8 14.6 356 366 A K H 3<5S+ 0 0 120 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.841 117.1 38.4 -61.7 -35.9 25.7 -12.4 15.4 357 367 A S T 3<5S- 0 0 79 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.397 107.1-128.2 -92.3 1.7 25.0 -12.6 19.1 358 368 A C T < 5 + 0 0 28 -3,-1.3 2,-0.9 -4,-0.3 -3,-0.2 0.932 45.9 171.7 51.1 52.0 21.7 -14.4 18.4 359 369 A D < + 0 0 102 -5,-2.9 2,-0.3 -6,-0.1 -1,-0.2 -0.804 18.0 114.6-105.3 95.5 20.0 -11.8 20.6 360 370 A W - 0 0 45 -2,-0.9 2,-0.3 -3,-0.1 -17,-0.1 -0.962 32.1-176.3-150.7 164.7 16.2 -12.2 20.4 361 371 A N - 0 0 81 -2,-0.3 3,-0.1 -19,-0.3 -2,-0.0 -0.955 33.0-128.1-155.4 177.5 13.2 -13.0 22.4 362 372 A M + 0 0 22 -2,-0.3 5,-0.1 1,-0.1 13,-0.0 -0.250 66.5 120.5-121.4 39.1 9.4 -13.5 22.4 363 373 A D + 0 0 139 3,-0.1 -1,-0.1 4,-0.0 5,-0.1 0.766 40.6 106.7 -75.2 -27.1 8.6 -11.2 25.3 364 374 A D S > S- 0 0 76 -3,-0.1 3,-2.2 1,-0.1 4,-0.2 -0.194 83.4-117.8 -54.8 149.8 6.3 -8.9 23.3 365 375 A S G >> S+ 0 0 90 1,-0.3 3,-2.0 2,-0.2 4,-0.5 0.743 107.7 78.5 -72.3 -17.0 2.7 -9.4 24.2 366 376 A A G 34 S+ 0 0 6 1,-0.3 -1,-0.3 2,-0.2 -2,-0.1 0.656 95.3 50.6 -60.3 -16.0 1.9 -10.5 20.6 367 377 A F G X4 S+ 0 0 1 -3,-2.2 3,-1.3 -5,-0.1 -1,-0.3 0.457 83.8 91.7 -96.4 -3.2 3.4 -13.8 21.7 368 378 A S T <4 S+ 0 0 97 -3,-2.0 -2,-0.2 1,-0.3 -1,-0.1 0.925 95.3 36.0 -58.2 -45.4 1.3 -14.1 24.9 369 379 A G T 3< S+ 0 0 70 -4,-0.5 2,-0.3 -3,-0.1 -1,-0.3 0.254 92.6 112.6 -92.9 11.0 -1.4 -16.1 23.1 370 380 A I S < S- 0 0 14 -3,-1.3 -3,-0.1 1,-0.1 39,-0.0 -0.640 74.4-102.8 -84.1 142.1 0.9 -18.0 20.8 371 381 A S > - 0 0 31 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.209 18.0-123.0 -63.7 152.0 1.1 -21.8 21.4 372 382 A E H > S+ 0 0 125 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.854 113.5 57.7 -59.5 -37.7 4.1 -23.4 23.2 373 383 A D H > S+ 0 0 73 2,-0.2 4,-2.6 1,-0.2 27,-0.3 0.919 106.6 47.8 -59.6 -44.6 4.7 -25.6 20.1 374 384 A G H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.924 113.0 47.2 -62.7 -46.5 5.1 -22.5 17.9 375 385 A K H X S+ 0 0 33 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.912 112.7 50.2 -60.3 -42.8 7.5 -20.9 20.3 376 386 A D H X S+ 0 0 45 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.911 106.4 56.1 -61.9 -43.4 9.4 -24.2 20.5 377 387 A F H < S+ 0 0 0 -4,-2.6 3,-0.2 1,-0.2 -1,-0.2 0.919 111.3 42.2 -52.8 -50.7 9.6 -24.4 16.7 378 388 A I H >X S+ 0 0 0 -4,-1.9 4,-2.9 1,-0.2 3,-1.8 0.905 111.0 55.6 -66.3 -43.7 11.2 -21.0 16.5 379 389 A R H 3< S+ 0 0 108 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.766 105.8 53.4 -60.6 -26.5 13.6 -21.7 19.4 380 390 A K T 3< S+ 0 0 92 -4,-1.7 10,-2.2 -3,-0.2 -1,-0.3 0.390 117.0 37.4 -90.1 2.9 14.8 -24.8 17.6 381 391 A L T <4 S+ 0 0 0 -3,-1.8 2,-2.1 8,-0.2 -2,-0.2 0.697 100.5 69.3-114.9 -43.6 15.6 -22.9 14.5 382 392 A L S < S+ 0 0 2 -4,-2.9 2,-0.4 -5,-0.1 -1,-0.1 -0.486 72.5 134.9 -84.0 73.7 17.0 -19.5 15.7 383 393 A L - 0 0 57 -2,-2.1 6,-0.1 1,-0.1 -25,-0.1 -0.973 56.5-140.2-127.5 133.5 20.2 -21.0 17.1 384 394 A A S S+ 0 0 52 -2,-0.4 -71,-0.2 -26,-0.1 -1,-0.1 0.926 91.8 70.1 -57.7 -50.2 23.8 -19.6 16.7 385 395 A D S >> S- 0 0 82 1,-0.2 3,-1.6 -73,-0.1 4,-0.5 -0.609 75.7-154.7 -73.6 111.6 25.3 -23.1 16.2 386 396 A P G >4 S+ 0 0 28 0, 0.0 3,-0.6 0, 0.0 -1,-0.2 0.759 88.0 62.3 -65.0 -23.9 24.1 -24.2 12.8 387 397 A N G 34 S+ 0 0 108 1,-0.2 4,-0.1 -3,-0.0 -2,-0.1 0.663 98.6 56.4 -75.4 -15.7 24.4 -27.9 13.6 388 398 A T G <4 S+ 0 0 78 -3,-1.6 -1,-0.2 2,-0.1 2,-0.1 0.620 84.6 102.7 -89.7 -13.9 21.9 -27.7 16.4 389 399 A R S << S- 0 0 8 -3,-0.6 -8,-0.2 -4,-0.5 -62,-0.1 -0.394 83.8-100.9 -68.5 143.2 19.1 -26.2 14.2 390 400 A M - 0 0 15 -10,-2.2 -1,-0.1 -13,-0.2 2,-0.1 -0.340 37.1-124.1 -56.0 143.7 16.3 -28.6 13.1 391 401 A T > - 0 0 72 -3,-0.1 4,-2.5 1,-0.1 5,-0.2 -0.325 31.9 -96.8 -80.6 172.9 16.7 -29.9 9.5 392 402 A I H > S+ 0 0 3 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.891 126.4 48.0 -63.4 -38.6 13.9 -29.4 7.0 393 403 A H H > S+ 0 0 10 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.893 111.3 50.2 -67.8 -40.4 12.5 -32.9 7.7 394 404 A Q H > S+ 0 0 79 2,-0.2 4,-0.5 1,-0.2 3,-0.2 0.887 109.9 51.2 -63.2 -40.4 12.7 -32.4 11.4 395 405 A A H >< S+ 0 0 0 -4,-2.5 3,-1.1 1,-0.2 6,-0.4 0.926 109.2 50.0 -61.8 -44.9 10.8 -29.1 11.0 396 406 A L H 3< S+ 0 0 4 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.717 113.5 47.4 -67.3 -19.9 8.1 -30.8 8.9 397 407 A E H 3< S+ 0 0 77 -4,-1.1 -1,-0.3 -3,-0.2 -2,-0.2 0.453 87.3 114.7 -96.2 -5.7 7.8 -33.4 11.7 398 408 A H S XX S- 0 0 9 -3,-1.1 3,-1.1 -4,-0.5 4,-1.0 -0.371 78.7-116.5 -67.3 144.3 7.7 -30.9 14.5 399 409 A P T 34 S+ 0 0 69 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.795 111.4 63.4 -52.2 -33.5 4.4 -30.8 16.5 400 410 A W T 34 S+ 0 0 0 -27,-0.3 -26,-0.1 1,-0.2 4,-0.1 0.878 112.7 33.9 -58.1 -42.3 3.7 -27.2 15.4 401 411 A L T <4 S+ 0 0 4 -3,-1.1 -1,-0.2 -6,-0.4 -5,-0.1 0.485 103.4 91.9 -92.1 -6.1 3.5 -28.2 11.8 402 412 A T S < S- 0 0 52 -4,-1.0 295,-0.1 -3,-0.3 -5,-0.1 -0.764 88.8-106.3 -91.9 130.0 1.9 -31.6 12.6 403 413 A P + 0 0 18 0, 0.0 2,-0.2 0, 0.0 -2,-0.1 -0.264 61.2 137.4 -54.3 139.8 -1.9 -31.8 12.7 404 414 A G - 0 0 41 331,-0.1 2,-0.8 -4,-0.1 331,-0.0 -0.847 63.1 -67.6-160.1-169.6 -3.2 -32.0 16.2 405 415 A N + 0 0 131 -2,-0.2 330,-0.1 2,-0.0 331,-0.1 -0.903 57.8 164.1 -99.7 103.9 -5.8 -30.7 18.6 406 416 A A > - 0 0 37 -2,-0.8 3,-1.6 329,-0.1 2,-0.3 -0.768 20.0-156.3-128.8 84.0 -4.8 -27.1 19.1 407 417 A P T 3 S+ 0 0 108 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.819 74.2 6.4 -94.1 143.8 -7.6 -24.9 20.6 408 418 A G T > S+ 0 0 44 -2,-0.3 3,-1.3 -37,-0.0 -166,-0.0 -0.126 84.5 120.0-105.5 80.2 -7.7 -21.9 20.2 409 419 A R T < S+ 0 0 28 -3,-1.6 -167,-2.0 1,-0.2 -168,-0.6 0.545 73.1 69.9 -72.4 -8.8 -4.9 -21.6 17.7 410 420 A D T 3 + 0 0 90 -4,-0.2 -1,-0.2 -169,-0.2 3,-0.1 0.417 67.4 128.7 -88.9 0.2 -7.6 -20.2 15.4 411 421 A S < - 0 0 84 -3,-1.3 -170,-0.5 -42,-0.1 -169,-0.1 -0.358 69.2-102.7 -57.2 134.1 -7.9 -16.9 17.4 412 422 A Q E -P 240 0F 109 -172,-0.1 -172,-0.3 -171,-0.1 -1,-0.1 -0.329 23.6-153.2 -67.3 131.5 -7.5 -14.0 15.1 413 423 A I E -P 239 0F 10 -174,-3.2 -174,-0.6 -2,-0.1 -1,-0.1 -0.941 37.5-109.3 -96.8 120.4 -4.3 -12.0 14.9 414 424 A P > - 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0 0 32 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.222 17.3-123.3 -64.6 152.0 -9.7 -36.8 -32.7 939 382 B E H > S+ 0 0 123 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.850 113.2 58.4 -59.8 -38.2 -6.9 -38.4 -34.8 940 383 B D H > S+ 0 0 71 2,-0.2 4,-2.5 1,-0.2 27,-0.3 0.924 106.2 47.8 -58.7 -45.1 -4.5 -37.7 -31.9 941 384 B G H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.925 113.2 47.1 -62.2 -45.7 -6.6 -39.8 -29.6 942 385 B K H X S+ 0 0 20 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.918 112.6 50.3 -61.0 -42.6 -6.9 -42.7 -32.1 943 386 B D H X S+ 0 0 50 -4,-2.8 4,-1.6 1,-0.2 -2,-0.2 0.905 105.9 56.7 -61.7 -43.3 -3.1 -42.5 -32.7 944 387 B F H < S+ 0 0 0 -4,-2.5 3,-0.2 1,-0.2 -1,-0.2 0.920 110.9 42.7 -52.9 -49.5 -2.5 -42.6 -28.9 945 388 B I H >X S+ 0 0 0 -4,-1.8 4,-2.8 1,-0.2 3,-1.8 0.913 111.0 55.1 -66.4 -44.1 -4.4 -45.9 -28.6 946 389 B R H 3< S+ 0 0 107 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.759 105.5 53.9 -61.2 -26.2 -2.8 -47.4 -31.7 947 390 B K T 3< S+ 0 0 95 -4,-1.6 10,-2.2 -3,-0.2 -1,-0.3 0.383 116.6 37.9 -90.4 3.4 0.6 -46.7 -30.2 948 391 B L T <4 S+ 0 0 0 -3,-1.8 2,-2.1 8,-0.2 -2,-0.2 0.703 100.0 69.3-115.6 -42.8 -0.3 -48.6 -27.0 949 392 B L S < S+ 0 0 3 -4,-2.8 2,-0.4 -52,-0.1 -1,-0.1 -0.476 71.7 135.5 -84.1 73.7 -2.3 -51.5 -28.1 950 393 B L - 0 0 56 -2,-2.1 6,-0.1 1,-0.1 -25,-0.1 -0.974 56.1-140.9-127.5 133.2 0.5 -53.4 -29.8 951 394 B A S S+ 0 0 53 -2,-0.4 -71,-0.2 -26,-0.1 -1,-0.1 0.928 91.8 70.3 -58.3 -49.7 1.4 -57.1 -29.5 952 395 B D S >> S- 0 0 82 1,-0.2 3,-1.6 -73,-0.1 4,-0.6 -0.599 75.7-155.0 -73.0 110.4 5.1 -56.5 -29.4 953 396 B P G >4 S+ 0 0 27 0, 0.0 3,-0.6 0, 0.0 -1,-0.2 0.758 87.5 62.7 -63.6 -24.0 5.7 -54.9 -26.0 954 397 B N G 34 S+ 0 0 108 1,-0.2 4,-0.1 -3,-0.0 -2,-0.1 0.671 98.4 56.3 -74.5 -16.8 8.9 -53.1 -27.1 955 398 B T G <4 S+ 0 0 79 -3,-1.6 -1,-0.2 2,-0.1 3,-0.1 0.641 84.4 103.1 -88.4 -15.3 7.0 -51.0 -29.7 956 399 B R S << S- 0 0 9 -3,-0.6 -8,-0.2 -4,-0.6 -9,-0.1 -0.378 83.4-100.7 -67.7 144.1 4.5 -49.5 -27.2 957 400 B M - 0 0 16 -10,-2.2 -1,-0.1 -13,-0.2 2,-0.1 -0.324 37.1-123.7 -55.8 143.4 5.0 -45.9 -26.0 958 401 B T > - 0 0 74 -3,-0.1 4,-2.4 1,-0.1 5,-0.2 -0.343 32.0 -97.4 -78.5 172.3 6.7 -45.6 -22.6 959 402 B I H > S+ 0 0 3 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.891 126.3 48.5 -62.9 -38.0 4.8 -43.7 -19.9 960 403 B H H > S+ 0 0 12 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.879 110.3 50.5 -69.4 -38.4 6.9 -40.6 -20.6 961 404 B Q H > S+ 0 0 77 2,-0.2 4,-0.6 1,-0.2 3,-0.2 0.885 109.9 51.7 -64.6 -38.0 6.3 -40.8 -24.3 962 405 B A H >< S+ 0 0 0 -4,-2.4 3,-1.0 1,-0.2 6,-0.4 0.919 108.6 49.8 -62.8 -45.0 2.6 -41.1 -23.5 963 406 B L H 3< S+ 0 0 5 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.706 113.8 47.1 -68.0 -19.8 2.7 -38.0 -21.4 964 407 B E H 3< S+ 0 0 80 -4,-1.0 -1,-0.2 -3,-0.2 -2,-0.2 0.444 86.8 115.2 -97.3 -5.5 4.5 -36.2 -24.3 965 408 B H S XX S- 0 0 13 -3,-1.0 3,-1.1 -4,-0.6 4,-1.0 -0.383 78.4-116.7 -66.9 143.7 2.1 -37.5 -27.0 966 409 B P T 34 S+ 0 0 69 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.796 111.4 63.4 -52.6 -32.5 0.0 -34.7 -28.7 967 410 B W T 34 S+ 0 0 1 -27,-0.3 -26,-0.1 1,-0.2 4,-0.1 0.884 112.7 33.4 -57.7 -43.6 -3.2 -36.2 -27.4 968 411 B L T <4 S+ 0 0 5 -3,-1.1 -1,-0.2 -6,-0.4 -5,-0.1 0.484 103.2 93.2 -91.1 -7.1 -2.2 -35.5 -23.8 969 412 B T S < S- 0 0 55 -4,-1.0 -839,-0.1 -3,-0.3 -5,-0.1 -0.762 87.4-108.4 -90.6 129.6 -0.3 -32.3 -24.6 970 413 B P + 0 0 18 0, 0.0 2,-0.2 0, 0.0 -2,-0.1 -0.283 63.5 129.0 -54.3 138.8 -2.2 -29.0 -24.4 971 414 B G - 0 0 38 -803,-0.2 2,-0.7 -4,-0.1 -804,-0.0 -0.828 67.3 -57.0-162.5-166.2 -2.8 -27.7 -27.9 972 415 B N + 0 0 131 -2,-0.2 -804,-0.1 2,-0.0 -803,-0.0 -0.919 56.9 159.9 -95.0 116.6 -5.5 -26.3 -30.2 973 416 B A > - 0 0 36 -2,-0.7 3,-1.6 -805,-0.1 4,-0.2 -0.644 20.3-168.0-138.9 68.8 -8.1 -29.1 -30.3 974 417 B P T 3 S+ 0 0 121 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.428 71.7 16.9 -72.0 143.4 -11.3 -27.4 -31.4 975 418 B G T > S+ 0 0 47 -2,-0.1 3,-1.3 1,-0.1 -37,-0.0 0.359 88.4 113.9 76.5 -0.8 -14.5 -29.4 -31.0 976 419 B R T < + 0 0 27 -3,-1.6 -167,-2.0 1,-0.2 -168,-0.7 0.594 69.6 64.6 -73.8 -10.5 -12.8 -31.9 -28.6 977 420 B D T 3 S+ 0 0 90 -4,-0.2 -1,-0.2 -169,-0.2 3,-0.1 0.426 70.4 126.1 -89.1 -0.6 -15.2 -30.5 -26.0 978 421 B S S < S- 0 0 73 -3,-1.3 -170,-0.5 -42,-0.1 -169,-0.1 -0.350 71.3-101.1 -62.2 135.4 -18.3 -31.8 -27.8 979 422 B Q E -P 807 0R 105 -172,-0.1 -172,-0.3 -171,-0.1 -1,-0.1 -0.366 23.5-151.8 -66.7 132.7 -20.3 -33.9 -25.3 980 423 B I E -P 806 0R 15 -174,-3.1 -174,-0.6 -2,-0.1 -1,-0.1 -0.928 38.0-109.4 -96.3 121.0 -20.1 -37.7 -25.4 981 424 B P > - 0 0 60 0, 0.0 3,-1.8 0, 0.0 4,-0.2 -0.235 15.3-132.0 -58.3 137.7 -23.5 -38.9 -24.0 982 425 B S G > S+ 0 0 9 1,-0.3 3,-1.7 -178,-0.2 4,-0.3 0.766 101.6 72.1 -59.8 -26.3 -23.3 -40.4 -20.6 983 426 B S G > S+ 0 0 94 1,-0.3 3,-0.6 2,-0.2 4,-0.4 0.625 81.2 72.7 -68.5 -13.4 -25.4 -43.3 -21.8 984 427 B R G < S+ 0 0 97 -3,-1.8 -1,-0.3 1,-0.2 4,-0.3 0.701 98.6 47.8 -69.2 -19.8 -22.5 -44.6 -23.8 985 428 B Y G <> S+ 0 0 0 -3,-1.7 4,-2.8 -4,-0.2 -1,-0.2 0.477 83.9 94.9-102.5 -2.4 -20.8 -45.7 -20.6 986 429 B T H <> S+ 0 0 51 -3,-0.6 4,-2.8 -4,-0.3 5,-0.2 0.880 83.8 49.4 -57.2 -45.9 -23.8 -47.5 -19.0 987 430 B K H > S+ 0 0 177 -4,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.909 115.2 43.2 -63.2 -42.2 -22.9 -51.0 -20.2 988 431 B I H > S+ 0 0 12 -82,-0.3 4,-1.7 -4,-0.3 -2,-0.2 0.903 113.5 52.2 -71.9 -40.2 -19.3 -50.8 -19.0 989 432 B R H X S+ 0 0 59 -4,-2.8 4,-1.7 2,-0.2 3,-0.4 0.965 113.5 43.6 -55.4 -53.7 -20.4 -49.2 -15.7 990 433 B D H X S+ 0 0 68 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.874 107.9 59.9 -62.5 -38.5 -22.9 -52.0 -15.1 991 434 B S H X S+ 0 0 57 -4,-2.2 4,-1.3 -5,-0.2 -1,-0.2 0.878 105.4 48.4 -57.4 -39.5 -20.3 -54.6 -16.2 992 435 B I H X S+ 0 0 17 -4,-1.7 4,-0.6 -3,-0.4 -1,-0.2 0.903 109.7 51.8 -70.6 -39.4 -18.0 -53.5 -13.4 993 436 B K H >< S+ 0 0 64 -4,-1.7 3,-1.5 1,-0.2 -2,-0.2 0.915 105.0 56.8 -60.2 -43.3 -20.8 -53.7 -10.8 994 437 B T H >< S+ 0 0 86 -4,-2.4 3,-1.8 1,-0.3 -1,-0.2 0.870 96.5 64.1 -56.0 -38.7 -21.7 -57.2 -11.9 995 438 B K H 3< S+ 0 0 78 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.761 114.0 32.2 -57.2 -27.5 -18.1 -58.3 -11.1 996 439 B Y T X< S+ 0 0 23 -3,-1.5 3,-1.8 -4,-0.6 -1,-0.3 0.091 81.7 117.6-117.2 22.9 -18.7 -57.5 -7.4 997 440 B D T < + 0 0 110 -3,-1.8 -1,-0.1 1,-0.3 -2,-0.1 0.481 60.3 75.5 -79.2 -0.9 -22.4 -58.3 -7.2 998 441 B A T 3 S+ 0 0 26 -3,-0.2 -1,-0.3 -4,-0.2 -2,-0.1 0.600 98.9 56.4 -72.7 -14.9 -21.7 -61.1 -4.7 999 442 B W S < S- 0 0 18 -3,-1.8 -277,-0.1 -414,-0.1 -3,-0.1 -0.861 97.8 -99.5-116.3 150.8 -21.3 -58.2 -2.2 1000 443 B P - 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