==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 14-SEP-07 2RA3 . COMPND 2 MOLECULE: TRYPSIN-1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.A.SALAMEH,A.S.SOARES,E.S.RADISKY . 562 4 16 16 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24108.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 356 63.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 169 30.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 50 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 43 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 0 0 0 2 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 12 2 4 12 4 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 ANTIPARALLEL BRIDGES PER LADDER . 0 2 0 0 0 2 0 0 2 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 16 A I 0 0 0 0, 0.0 2,-0.4 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 117.5 18.1 -42.5 20.9 2 17 A V B +A 171 0A 9 169,-2.8 169,-1.7 1,-0.2 123,-0.1 -0.845 360.0 9.9 -95.6 132.8 15.7 -43.0 23.9 3 18 A G S S+ 0 0 41 121,-0.6 -1,-0.2 -2,-0.4 169,-0.1 0.637 103.0 116.4 77.9 16.6 12.0 -43.0 23.2 4 19 A G - 0 0 28 -3,-0.4 2,-0.3 167,-0.1 134,-0.2 0.018 56.3-118.0 -99.4-155.3 12.4 -43.3 19.4 5 20 A Y E -B 137 0B 99 132,-2.4 132,-2.9 -3,-0.1 2,-0.4 -0.935 36.4 -80.3-147.0 160.7 11.5 -45.8 16.7 6 21 A N E -B 136 0B 94 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.537 52.2-123.7 -66.3 124.2 13.3 -48.0 14.2 7 22 A a - 0 0 4 128,-2.4 2,-0.1 -2,-0.4 128,-0.1 -0.406 29.4-104.7 -65.5 142.5 14.0 -45.7 11.1 8 23 A E > - 0 0 151 1,-0.1 3,-2.1 -2,-0.1 4,-0.4 -0.446 49.4 -90.1 -64.1 143.2 12.6 -47.0 7.9 9 24 A E T 3 S+ 0 0 111 1,-0.3 -1,-0.1 2,-0.1 44,-0.1 -0.306 111.4 8.2 -60.1 135.3 15.3 -48.5 5.7 10 25 A N T 3 S+ 0 0 81 89,-0.1 -1,-0.3 2,-0.1 -2,-0.1 0.506 96.4 112.0 72.3 4.3 16.8 -45.9 3.4 11 26 A S S < S+ 0 0 52 -3,-2.1 -2,-0.1 1,-0.2 3,-0.1 0.713 81.0 39.5 -82.5 -16.3 15.0 -43.0 5.1 12 27 A V > + 0 0 10 -4,-0.4 3,-1.9 1,-0.1 -1,-0.2 -0.520 68.2 157.7-127.0 64.0 18.1 -41.5 6.6 13 28 A P T 3 S+ 0 0 23 0, 0.0 88,-1.4 0, 0.0 38,-0.3 0.613 70.1 59.5 -73.1 -8.3 20.6 -41.9 3.8 14 29 A Y T 3 S+ 0 0 20 86,-0.2 15,-2.5 88,-0.1 2,-0.3 0.471 81.4 106.9 -91.9 -9.2 22.9 -39.1 5.0 15 30 A Q E < -K 28 0C 5 -3,-1.9 36,-0.5 13,-0.2 37,-0.4 -0.601 49.7-174.5 -74.2 131.4 23.5 -40.8 8.4 16 31 A V E -KL 27 50C 1 11,-2.4 11,-1.1 -2,-0.3 2,-0.5 -0.872 20.0-136.0-120.3 159.9 26.9 -42.3 8.8 17 32 A S E -KL 26 49C 1 32,-2.4 32,-3.0 -2,-0.3 2,-0.5 -0.945 14.9-144.4-107.5 130.6 28.5 -44.4 11.5 18 33 A L E -KL 25 48C 0 7,-3.1 6,-2.5 -2,-0.5 7,-1.0 -0.880 21.9-165.2 -95.1 130.9 32.0 -43.6 12.7 19 34 A N E +KL 23 47C 18 28,-2.7 28,-2.6 -2,-0.5 4,-0.2 -0.966 31.6 167.6-130.5 129.7 34.0 -46.7 13.5 20 37 A S S S- 0 0 45 2,-1.9 3,-0.1 -2,-0.4 -1,-0.1 -0.278 98.5 -46.3-121.0 33.3 37.3 -47.2 15.4 21 38 A G S S+ 0 0 69 26,-0.1 2,-0.3 1,-0.1 -2,-0.1 0.166 139.9 23.6 107.6 -13.2 36.9 -51.0 15.7 22 39 A Y S S- 0 0 61 -4,-0.0 -2,-1.9 0, 0.0 2,-0.4 -0.930 105.9 -73.2-169.0 163.6 33.3 -50.5 16.7 23 40 A H E +K 19 0C 8 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.548 54.3 157.3 -70.6 123.5 30.6 -47.8 16.3 24 41 A F E - 0 0 0 -6,-2.5 502,-2.5 1,-0.4 2,-0.3 0.539 60.1 -1.9-122.8 -17.2 31.5 -44.8 18.6 25 42 A b E -K 18 0C 0 -7,-1.0 -7,-3.1 500,-0.2 -1,-0.4 -0.976 62.5-120.5-162.1 165.7 29.7 -41.8 17.0 26 43 A G E -K 17 0C 1 151,-3.3 12,-0.4 -2,-0.3 2,-0.3 -0.428 23.6-177.6-102.5-177.0 27.6 -40.7 14.2 27 44 A G E -K 16 0C 0 -11,-1.1 -11,-2.4 -2,-0.2 2,-0.4 -0.955 22.0-117.3-167.8 173.5 28.0 -38.1 11.4 28 45 A S E -KM 15 36C 1 8,-2.2 8,-2.5 -2,-0.3 2,-0.6 -0.995 19.4-130.1-129.8 129.7 26.2 -36.6 8.4 29 46 A L E + M 0 35C 0 -15,-2.5 74,-2.2 -2,-0.4 6,-0.2 -0.683 32.8 165.2 -77.9 116.7 27.2 -36.7 4.8 30 47 A I E + 0 0 21 4,-2.3 2,-0.3 -2,-0.6 5,-0.2 0.571 66.6 9.2-108.9 -10.8 27.2 -33.2 3.4 31 48 A N E > S- M 0 34C 61 3,-1.4 3,-0.9 70,-0.1 -1,-0.3 -0.942 88.3 -93.2-159.1 163.2 29.1 -33.7 0.1 32 49 A E T 3 S+ 0 0 88 -2,-0.3 62,-2.9 1,-0.2 60,-0.1 0.736 127.7 27.9 -57.8 -23.0 30.4 -36.7 -1.8 33 50 A Q T 3 S+ 0 0 26 60,-0.2 57,-2.8 1,-0.1 2,-0.4 0.374 111.8 71.7-119.4 3.4 33.7 -36.3 0.1 34 51 A W E < -MN 31 89C 0 -3,-0.9 -4,-2.3 55,-0.2 -3,-1.4 -0.984 47.7-171.2-135.9 137.9 32.8 -34.6 3.4 35 52 A V E -MN 29 88C 0 53,-2.5 53,-3.0 -2,-0.4 2,-0.4 -0.954 14.7-144.8-121.6 138.2 31.1 -35.6 6.7 36 53 A V E +MN 28 87C 0 -8,-2.5 -8,-2.2 -2,-0.4 2,-0.2 -0.883 33.4 148.6 -97.2 133.2 30.1 -33.4 9.6 37 54 A S E - N 0 86C 0 49,-2.6 49,-2.2 -2,-0.4 2,-0.3 -0.761 47.5 -70.5-144.0-167.0 30.4 -34.8 13.1 38 55 A A > - 0 0 0 -12,-0.4 3,-1.3 47,-0.3 47,-0.3 -0.683 31.7-129.0 -92.1 150.6 31.1 -33.6 16.7 39 56 A G G > S+ 0 0 0 -2,-0.3 3,-1.7 1,-0.3 -1,-0.1 0.848 108.3 60.2 -66.1 -30.4 34.5 -32.4 17.9 40 57 A H G 3 S+ 0 0 9 1,-0.3 -1,-0.3 41,-0.1 485,-0.1 0.635 94.1 67.8 -75.5 -4.9 34.5 -34.7 20.9 41 58 A b G < S+ 0 0 0 -3,-1.3 -1,-0.3 -15,-0.1 -2,-0.2 0.291 75.5 135.8 -87.2 7.3 34.2 -37.6 18.4 42 59 A Y < + 0 0 98 -3,-1.7 2,-0.3 504,-0.1 -3,-0.1 -0.363 20.7 158.8 -62.9 133.7 37.7 -36.8 17.3 43 60 A K - 0 0 52 -2,-0.1 3,-0.1 1,-0.0 -2,-0.0 -0.954 47.8-120.2-143.0 154.8 40.1 -39.7 16.8 44 61 A S S S+ 0 0 80 -2,-0.3 2,-0.4 1,-0.2 26,-0.1 0.753 102.3 32.8 -70.8 -21.5 43.2 -39.7 14.7 45 62 A R S S+ 0 0 206 2,-0.0 2,-0.4 24,-0.0 -1,-0.2 -0.999 71.5 171.3-135.3 130.7 41.9 -42.6 12.5 46 63 A I - 0 0 6 -2,-0.4 21,-2.9 21,-0.2 2,-0.5 -0.998 23.5-149.6-142.4 134.7 38.3 -43.1 11.6 47 64 A Q E -LO 19 66C 45 -28,-2.6 -28,-2.7 -2,-0.4 2,-0.5 -0.930 19.7-145.5-101.2 123.2 36.4 -45.4 9.2 48 65 A V E -LO 18 65C 0 17,-2.9 17,-2.8 -2,-0.5 2,-0.6 -0.789 9.8-159.3 -89.3 125.5 33.2 -43.8 7.9 49 66 A R E -LO 17 64C 52 -32,-3.0 -32,-2.4 -2,-0.5 3,-0.3 -0.947 13.1-177.4-112.0 116.6 30.5 -46.3 7.3 50 67 A L E +LO 16 63C 2 13,-2.9 13,-2.2 -2,-0.6 -34,-0.1 -0.728 59.3 32.5-110.7 157.7 27.7 -45.2 4.9 51 69 A G S S+ 0 0 14 -36,-0.5 2,-0.3 48,-0.4 10,-0.3 0.717 82.1 152.4 70.2 21.2 24.5 -47.0 3.8 52 70 A E + 0 0 18 -37,-0.4 -1,-0.2 -3,-0.3 3,-0.1 -0.636 21.0 153.3 -85.8 141.3 24.1 -48.7 7.2 53 71 A H S S+ 0 0 17 1,-0.4 82,-1.4 -2,-0.3 2,-0.7 0.562 82.0 29.6-120.4 -65.9 20.9 -49.8 8.7 54 72 A N B > S-Q 134 0D 23 80,-0.2 3,-0.7 3,-0.2 -1,-0.4 -0.882 72.6-162.4 -92.3 111.2 21.9 -52.7 11.0 55 73 A I T 3 S+ 0 0 36 78,-2.3 -1,-0.1 -2,-0.7 79,-0.1 0.574 82.4 60.2 -74.7 -6.2 25.5 -51.9 12.1 56 74 A E T 3 S+ 0 0 136 77,-0.2 2,-0.3 1,-0.1 -1,-0.2 0.673 105.6 42.0 -95.2 -20.4 26.1 -55.5 13.2 57 75 A V S < S- 0 0 62 -3,-0.7 2,-0.4 76,-0.1 -4,-0.2 -0.965 81.7-112.9-130.0 146.6 25.6 -57.3 9.9 58 76 A L + 0 0 131 -2,-0.3 -3,-0.1 1,-0.2 -6,-0.0 -0.643 31.7 174.5 -70.7 129.5 26.5 -56.7 6.2 59 77 A E - 0 0 81 -2,-0.4 -1,-0.2 -5,-0.1 -7,-0.0 0.442 51.1-106.1-116.5 -6.1 23.2 -56.0 4.3 60 78 A G S S+ 0 0 63 0, 0.0 -2,-0.1 0, 0.0 -9,-0.0 0.242 102.0 79.0 105.7 -10.3 24.8 -55.2 1.0 61 79 A N + 0 0 57 -10,-0.3 2,-0.1 38,-0.0 38,-0.1 0.305 64.7 121.2-111.6 5.7 24.5 -51.4 0.6 62 80 A E - 0 0 33 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.381 42.0-163.9 -71.7 149.8 27.3 -50.4 2.9 63 81 A Q E -O 50 0C 32 -13,-2.2 -13,-2.9 -2,-0.1 2,-0.6 -0.999 4.7-162.1-126.7 127.1 30.3 -48.3 1.9 64 82 A F E +O 49 0C 81 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.963 17.3 171.2-111.2 118.2 33.3 -48.2 4.2 65 83 A I E -O 48 0C 9 -17,-2.8 -17,-2.9 -2,-0.6 2,-0.1 -0.988 26.7-131.7-132.5 123.5 35.6 -45.3 3.5 66 84 A N E -O 47 0C 91 -2,-0.4 25,-2.4 -19,-0.2 -19,-0.2 -0.462 29.3-106.8 -73.5 146.2 38.5 -44.2 5.6 67 85 A A E -P 90 0C 22 -21,-2.9 23,-0.2 23,-0.2 -21,-0.2 -0.503 28.7-173.9 -66.1 134.6 39.0 -40.6 6.7 68 86 A A E S+ 0 0 63 21,-3.4 2,-0.4 1,-0.4 22,-0.2 0.729 75.9 17.6 -95.2 -37.0 41.8 -38.9 4.8 69 87 A K E -P 89 0C 82 20,-1.5 20,-2.5 2,-0.0 2,-0.4 -0.995 61.6-166.3-136.8 141.9 41.6 -35.7 6.8 70 88 A I E -P 88 0C 32 -2,-0.4 2,-0.6 18,-0.2 18,-0.2 -0.960 11.8-178.0-133.3 112.0 40.0 -35.0 10.1 71 89 A I E -P 87 0C 44 16,-3.1 16,-2.6 -2,-0.4 2,-0.2 -0.914 6.1-166.0-122.6 100.4 39.6 -31.3 10.9 72 90 A R E -P 86 0C 95 -2,-0.6 14,-0.3 14,-0.2 12,-0.1 -0.561 43.2 -86.1 -81.7 149.1 38.2 -30.3 14.3 73 91 A H > - 0 0 15 12,-2.6 3,-1.9 10,-0.3 -1,-0.1 -0.317 36.4-132.2 -54.6 133.1 37.0 -26.8 14.8 74 92 A P T 3 S+ 0 0 100 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.713 105.0 50.3 -66.1 -21.0 40.1 -24.8 15.9 75 93 A Q T 3 S+ 0 0 135 8,-0.1 -2,-0.1 2,-0.1 7,-0.1 0.191 77.6 141.5 -98.5 11.3 38.2 -23.2 18.8 76 94 A Y < - 0 0 34 -3,-1.9 2,-0.5 9,-0.1 7,-0.2 -0.338 37.7-156.5 -52.6 134.3 36.8 -26.5 20.1 77 95 A D > - 0 0 66 5,-1.9 4,-2.0 1,-0.1 5,-0.2 -0.970 9.8-159.9-122.5 115.3 36.8 -26.4 23.9 78 96 A R T 4 S+ 0 0 156 -2,-0.5 470,-0.4 1,-0.2 -1,-0.1 0.559 90.5 43.7 -75.7 -8.0 36.9 -29.8 25.6 79 97 A K T 4 S+ 0 0 77 468,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.825 125.5 27.7-100.2 -48.8 35.5 -28.4 29.0 80 98 A T T 4 S- 0 0 73 2,-0.1 -2,-0.2 76,-0.0 77,-0.2 0.630 95.1-135.4 -86.6 -18.0 32.7 -26.0 27.8 81 99 A L >< + 0 0 6 -4,-2.0 3,-0.7 1,-0.2 -3,-0.1 0.603 47.2 157.2 68.2 14.8 32.0 -28.0 24.6 82 100 A N T 3 + 0 0 38 1,-0.2 -5,-1.9 -5,-0.2 -1,-0.2 -0.446 65.0 19.1 -63.7 140.2 31.8 -24.7 22.6 83 101 A N T 3 S+ 0 0 11 -7,-0.2 2,-2.0 1,-0.2 -10,-0.3 0.909 78.6 175.4 64.9 41.6 32.5 -25.2 18.9 84 102 A D < + 0 0 0 -3,-0.7 2,-0.3 75,-0.2 -1,-0.2 -0.502 35.7 108.8 -81.0 74.8 31.8 -29.0 19.1 85 103 A I - 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0 0 0 20,-2.6 2,-0.3 -67,-0.3 -216,-0.2 -0.387 59.8-135.9 -78.6 169.9 3.3 -22.9 -7.2 467 17 I R + 0 0 48 -218,-2.6 2,-0.5 -68,-0.2 19,-0.2 -0.756 37.9 164.3-123.9 81.5 4.0 -26.6 -7.4 468 18 I I E -K 485 0K 7 17,-2.5 17,-3.1 -2,-0.3 2,-0.7 -0.885 35.0-132.2-102.8 128.0 3.7 -27.2 -11.1 469 19 I I E +K 484 0K 60 -2,-0.5 2,-0.3 15,-0.2 15,-0.2 -0.713 37.4 165.6 -88.1 114.9 5.2 -30.5 -12.4 470 20 I R E -K 483 0K 34 13,-2.5 13,-2.3 -2,-0.7 2,-0.4 -0.754 30.3-118.3-121.5 169.9 7.3 -29.9 -15.5 471 21 I Y E -KL 482 495K 67 24,-2.5 24,-2.4 -2,-0.3 2,-0.3 -0.881 23.3-174.8-112.9 145.0 9.8 -31.9 -17.3 472 22 I F E -K 481 0K 28 9,-2.8 9,-2.8 -2,-0.4 2,-0.5 -0.972 30.1-110.2-131.7 153.4 13.5 -31.3 -17.9 473 23 I Y E -K 480 0K 12 -2,-0.3 2,-0.8 7,-0.2 7,-0.2 -0.723 19.8-159.1 -85.3 128.2 16.1 -33.1 -20.0 474 24 I N E >> -K 479 0K 61 5,-2.8 5,-1.4 -2,-0.5 4,-1.1 -0.902 9.5-162.0-102.0 99.5 18.7 -35.0 -17.9 475 25 I A T >45S+ 0 0 42 -2,-0.8 3,-0.7 -20,-0.3 -1,-0.2 0.902 83.3 46.2 -60.3 -43.5 21.4 -35.3 -20.5 476 26 I K T 345S+ 0 0 211 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.864 115.2 47.8 -65.7 -37.6 23.5 -38.1 -18.9 477 27 I A T 345S- 0 0 55 -3,-0.2 -1,-0.3 2,-0.2 -2,-0.2 0.647 103.2-136.9 -76.5 -15.3 20.4 -40.1 -18.2 478 28 I G T <<5 + 0 0 41 -4,-1.1 2,-0.3 -3,-0.7 -3,-0.2 0.786 67.7 94.3 59.0 34.2 19.2 -39.6 -21.7 479 29 I L E S- 0 0 30 -26,-0.1 4,-2.0 1,-0.1 5,-0.1 -0.984 74.2-118.6-148.8 158.9 5.1 -32.7 -21.3 498 48 I A H > S+ 0 0 25 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.872 115.6 56.1 -60.3 -42.5 7.6 -35.6 -21.7 499 49 I E H > S+ 0 0 127 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.921 106.6 47.9 -58.4 -45.6 6.8 -35.6 -25.4 500 50 I D H > S+ 0 0 63 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.910 114.1 49.1 -60.1 -43.8 7.7 -31.8 -25.8 501 51 I m H X>S+ 0 0 0 -4,-2.0 4,-3.0 1,-0.2 5,-0.6 0.940 112.8 45.1 -63.1 -46.7 10.9 -32.5 -23.8 502 52 I M H X5S+ 0 0 61 -4,-2.9 6,-2.1 1,-0.2 4,-1.3 0.861 112.2 51.7 -68.8 -35.8 12.0 -35.5 -25.9 503 53 I R H <5S+ 0 0 134 -4,-2.4 -1,-0.2 -5,-0.2 4,-0.2 0.874 118.5 37.5 -64.2 -39.3 11.2 -33.8 -29.2 504 54 I T H <5S+ 0 0 51 -4,-1.8 -2,-0.2 -5,-0.2 -3,-0.2 0.916 138.0 11.2 -81.4 -43.2 13.3 -30.8 -28.2 505 55 I k H <5S+ 0 0 1 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.618 123.6 54.9-114.9 -11.4 16.2 -32.4 -26.4 506 56 I G S < - 0 0 57 0, 0.0 3,-0.8 0, 0.0 0, 0.0 -0.263 360.0-122.4 -59.1 152.8 46.2 -44.8 43.5 512 3 C D G > S+ 0 0 151 1,-0.2 3,-2.1 2,-0.1 4,-0.3 0.866 99.4 72.6 -65.8 -46.8 43.0 -43.9 45.4 513 4 C F G > S+ 0 0 36 1,-0.3 3,-0.6 2,-0.2 39,-0.2 0.525 81.3 85.4 -46.4 -8.6 40.7 -42.6 42.5 514 5 C n G < S+ 0 0 3 -3,-0.8 20,-0.5 1,-0.3 -1,-0.3 0.458 80.9 54.0 -81.9 -13.3 40.5 -46.3 41.7 515 6 C L G < S+ 0 0 136 -3,-2.1 -1,-0.3 18,-0.1 -2,-0.2 0.519 87.5 105.3 -92.3 -11.3 37.8 -47.0 44.1 516 7 C E S < S- 0 0 114 -3,-0.6 18,-0.1 -4,-0.3 16,-0.1 -0.417 77.0-116.3 -69.7 139.8 35.7 -44.3 42.4 517 8 C P - 0 0 93 0, 0.0 2,-0.3 0, 0.0 35,-0.2 -0.083 42.5 -77.9 -67.5 178.7 32.9 -45.6 40.1 518 9 C P - 0 0 54 0, 0.0 2,-0.6 0, 0.0 35,-0.1 -0.631 37.8-150.6 -91.1 145.1 32.9 -45.0 36.4 519 10 C Y - 0 0 88 33,-0.3 31,-0.3 -2,-0.3 26,-0.2 -0.907 14.8-177.4-118.2 110.5 31.9 -41.6 34.9 520 11 C T - 0 0 49 -2,-0.6 25,-2.6 24,-0.2 27,-0.4 0.899 33.8-157.4 -68.3 -42.7 30.3 -41.5 31.5 521 12 C G - 0 0 14 1,-0.2 -325,-0.1 23,-0.1 27,-0.1 -0.159 32.2 -67.2 83.0 177.3 30.0 -37.7 31.5 522 13 C P S S+ 0 0 15 0, 0.0 -328,-1.7 0, 0.0 -1,-0.2 0.652 97.7 97.7 -84.5 -16.9 27.7 -35.4 29.5 523 14 C o B -J 193 0B 0 24,-0.3 -330,-0.2 -330,-0.2 23,-0.1 -0.335 69.6-133.3 -76.6 162.7 29.0 -36.0 26.0 524 15 C K + 0 0 0 -332,-1.7 -347,-2.7 -350,-0.1 -349,-2.4 0.066 60.0 115.3-112.8 22.2 27.3 -38.4 23.7 525 16 C A - 0 0 0 20,-2.6 2,-0.4 -351,-0.2 -500,-0.2 -0.367 61.0-133.2 -71.9 166.6 29.9 -40.6 22.1 526 17 C R + 0 0 47 -502,-2.5 2,-0.6 -352,-0.2 19,-0.2 -0.807 39.0 165.3-121.2 84.9 30.1 -44.4 22.9 527 18 C I E -M 544 0L 9 17,-2.5 17,-3.0 -2,-0.4 2,-0.6 -0.911 33.6-134.2-105.9 123.0 33.7 -44.8 23.6 528 19 C I E +M 543 0L 67 -2,-0.6 2,-0.3 15,-0.2 15,-0.2 -0.656 37.0 164.6 -82.1 117.4 34.6 -48.1 25.3 529 20 C R E -M 542 0L 37 13,-2.4 13,-2.3 -2,-0.6 2,-0.3 -0.804 31.4-115.6-123.0 172.7 37.0 -47.4 28.2 530 21 C Y E -MN 541 554L 70 24,-2.7 24,-2.6 -2,-0.3 2,-0.3 -0.843 20.4-171.9-110.9 147.0 38.3 -49.4 31.2 531 22 C F E -M 540 0L 27 9,-2.7 9,-2.7 -2,-0.3 2,-0.4 -0.976 31.9-113.2-134.2 138.5 37.8 -48.8 34.9 532 23 C Y E -M 539 0L 14 -2,-0.3 2,-0.8 7,-0.2 7,-0.2 -0.720 41.4-119.2 -78.3 131.7 39.5 -50.7 37.7 533 24 C N > - 0 0 35 5,-2.4 3,-1.9 -2,-0.4 5,-0.1 -0.477 12.6-115.7 -87.2 64.2 36.9 -52.7 39.7 534 25 C A G > S- 0 0 61 -2,-0.8 3,-0.7 -20,-0.5 4,-0.1 -0.381 98.4 -16.0 51.3-131.4 36.0 -52.5 43.5 535 26 C K G 3 S+ 0 0 214 1,-0.2 -1,-0.3 2,-0.1 -20,-0.0 -0.040 117.5 90.6 -95.6 33.7 36.9 -55.8 44.9 536 27 C A G < S- 0 0 53 -3,-1.9 -1,-0.2 2,-0.2 -2,-0.1 0.771 81.1-141.1 -91.2 -18.6 37.2 -57.7 41.6 537 28 C G < + 0 0 34 -3,-0.7 2,-0.3 1,-0.3 -2,-0.1 0.804 69.3 99.8 61.0 32.8 40.9 -56.9 41.3 538 29 C L S S- 0 0 79 -5,-0.1 -5,-2.4 -4,-0.1 -1,-0.3 -1.000 76.0-114.8-152.4 148.7 40.2 -56.5 37.7 539 30 C p E -M 532 0L 21 -2,-0.3 2,-0.3 -7,-0.2 -7,-0.2 -0.559 31.8-168.8 -87.8 141.8 39.5 -53.9 35.1 540 31 C Q E -M 531 0L 95 -9,-2.7 -9,-2.7 -2,-0.2 2,-0.2 -0.873 20.9-109.5-127.6 156.8 36.1 -53.8 33.4 541 32 C T E +M 530 0L 82 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.594 35.9 168.7 -86.9 155.8 34.7 -51.9 30.4 542 33 C F E -M 529 0L 23 -13,-2.3 -13,-2.4 -2,-0.2 2,-0.6 -0.959 39.5 -93.0-154.4 168.2 32.2 -49.0 30.5 543 34 C V E -M 528 0L 33 -2,-0.3 2,-0.4 -15,-0.2 -15,-0.2 -0.781 34.2-167.2 -93.3 115.9 30.8 -46.4 28.1 544 35 C Y E -M 527 0L 14 -17,-3.0 -17,-2.5 -2,-0.6 -24,-0.2 -0.890 15.3-146.7 -98.2 134.5 32.6 -43.0 28.2 545 36 C G - 0 0 0 -25,-2.6 -20,-2.6 -2,-0.4 -370,-0.1 0.539 45.3-103.0 -82.0 -10.7 30.8 -40.2 26.5 546 37 C G S S+ 0 0 15 -26,-0.3 2,-0.3 1,-0.2 -25,-0.1 0.288 87.6 61.4 109.2 -7.8 34.0 -38.4 25.2 547 38 C o S S+ 0 0 4 -27,-0.4 -24,-0.3 -24,-0.1 -2,-0.2 -0.988 86.2 25.2-145.6 158.5 34.5 -35.5 27.6 548 39 C R S S- 0 0 114 -470,-0.4 -1,-0.1 -2,-0.3 -469,-0.1 0.804 72.6-168.6 65.9 33.1 35.1 -34.5 31.2 549 40 C A - 0 0 47 -3,-0.1 -1,-0.2 1,-0.1 2,-0.2 -0.198 12.6-143.1 -51.4 139.1 36.7 -37.8 32.1 550 41 C K - 0 0 118 -31,-0.3 -31,-0.1 2,-0.1 -1,-0.1 -0.424 35.3 -96.3 -90.4 177.4 37.3 -38.6 35.8 551 42 C R S S+ 0 0 177 1,-0.2 2,-1.9 -2,-0.2 -37,-0.1 0.758 110.8 74.9 -79.7 -22.2 40.5 -40.5 36.7 552 43 C N S S+ 0 0 5 -35,-0.2 -33,-0.3 -39,-0.2 2,-0.3 -0.506 77.0 103.4 -86.0 73.2 39.2 -44.1 36.9 553 44 C N - 0 0 22 -2,-1.9 2,-0.3 -35,-0.1 -22,-0.2 -0.858 48.7-179.6-164.2 111.0 39.0 -44.2 33.0 554 45 C F B -N 530 0L 15 -24,-2.6 -24,-2.7 -2,-0.3 3,-0.1 -0.895 33.0-142.2-131.5 146.1 41.6 -46.0 31.0 555 46 C K S S+ 0 0 159 -2,-0.3 2,-0.3 -26,-0.2 -1,-0.1 0.631 89.6 22.0 -85.9 -10.0 42.3 -46.6 27.3 556 47 C S S > S- 0 0 34 -26,-0.1 4,-1.7 1,-0.1 5,-0.1 -0.992 73.4-119.4-150.7 156.7 43.4 -50.1 27.9 557 48 C A H > S+ 0 0 28 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.880 111.4 60.0 -59.1 -36.3 43.1 -53.0 30.4 558 49 C E H > S+ 0 0 138 2,-0.2 4,-1.7 1,-0.2 5,-0.2 0.923 106.5 41.3 -65.0 -45.4 46.9 -52.8 30.8 559 50 C D H > S+ 0 0 69 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.882 113.8 56.0 -81.5 -16.9 47.2 -49.3 32.0 560 51 C p H X S+ 0 0 0 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.963 107.4 48.0 -62.8 -53.0 44.2 -49.8 34.1 561 52 C M H X S+ 0 0 81 -4,-2.9 4,-3.4 1,-0.2 -2,-0.2 0.912 116.1 44.9 -54.7 -39.3 45.8 -52.8 35.9 562 53 C R H < S+ 0 0 222 -4,-1.7 -1,-0.2 2,-0.2 -2,-0.2 0.942 114.8 44.1 -72.6 -52.1 49.0 -50.8 36.5 563 54 C T H < S+ 0 0 44 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.767 140.0 9.9 -64.8 -22.8 47.5 -47.6 37.7 564 55 C n H < 0 0 0 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.457 360.0 360.0-137.7 5.5 45.2 -49.6 39.9 565 56 C G < 0 0 39 -4,-3.4 -3,-0.1 -5,-0.2 -4,-0.1 0.317 360.0 360.0 -48.7 360.0 46.1 -53.3 40.0