==== 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 TRANSFERASE 28-JUN-07 2QG5 . COMPND 2 MOLECULE: CALCIUM/CALMODULIN-DEPENDENT PROTEIN KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CRYPTOSPORIDIUM PARVUM; . AUTHOR V.V.LUNIN,A.K.WERNIMONT,J.LEW,G.WASNEY,I.KOZIERADZKI,M.VEDAD . 850 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41222.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 556 65.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 3.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 133 15.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.4 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 . 8 0.9 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 . 69 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 83 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 222 26.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 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 8 3 2 0 1 1 5 2 0 2 0 2 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 3 3 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 . 6 5 3 0 3 5 4 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 . 3 0 2 1 0 3 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 3 A H 0 0 136 0, 0.0 88,-1.9 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 134.6 91.9 28.3 17.6 2 4 A H E -a 89 0A 24 14,-0.3 16,-2.2 86,-0.2 2,-0.3 -0.961 360.0-172.8-115.5 126.8 92.6 30.4 14.4 3 5 A H E -ab 90 18A 4 86,-2.8 88,-2.1 -2,-0.4 2,-0.3 -0.835 7.9-164.7-119.2 159.0 95.2 29.3 11.8 4 6 A H E -ab 91 19A 16 14,-2.2 16,-2.3 -2,-0.3 88,-0.2 -0.986 11.3-137.5-143.2 158.3 96.9 30.7 8.6 5 7 A H - 0 0 68 86,-1.5 -1,-0.1 -2,-0.3 87,-0.1 0.484 52.5 -52.0 -93.9-139.7 98.9 29.3 5.7 6 8 A S S S+ 0 0 97 13,-0.1 2,-0.1 2,-0.1 86,-0.1 0.856 105.9 63.4 -76.2 -41.3 102.1 30.6 3.8 7 9 A S S S- 0 0 66 1,-0.1 -2,-0.1 2,-0.0 0, 0.0 -0.395 81.8 -62.7 -94.4 177.4 101.3 34.2 2.7 8 10 A G > - 0 0 30 -2,-0.1 3,-1.6 -4,-0.1 4,-0.1 0.108 23.4-106.9-107.2-178.6 100.6 37.2 4.8 9 11 A R G > S+ 0 0 119 1,-0.3 3,-1.1 2,-0.2 -1,-0.0 0.502 95.3 75.2 -64.1 -20.5 98.8 39.4 7.3 10 12 A E G 3 S+ 0 0 172 1,-0.2 -1,-0.3 3,-0.0 -2,-0.0 0.873 105.1 40.2 -57.4 -37.9 97.2 42.1 5.1 11 13 A N G < S+ 0 0 74 -3,-1.6 2,-0.3 2,-0.0 -1,-0.2 0.351 91.0 117.6 -94.8 1.4 94.5 39.6 4.0 12 14 A L < - 0 0 11 -3,-1.1 3,-0.2 1,-0.1 81,-0.1 -0.554 44.9-166.4 -81.7 129.4 94.0 37.9 7.5 13 15 A Y S S+ 0 0 17 -2,-0.3 2,-0.8 1,-0.3 -1,-0.1 0.923 86.4 43.2 -78.6 -45.5 90.6 38.0 9.2 14 16 A F - 0 0 9 1,-0.1 -1,-0.3 -11,-0.1 3,-0.2 -0.884 69.5-170.8-109.3 103.8 91.9 36.9 12.6 15 17 A Q S S+ 0 0 106 -2,-0.8 2,-0.9 1,-0.3 -1,-0.1 0.638 78.3 67.9 -70.5 -20.8 95.1 38.6 13.3 16 18 A G S S+ 0 0 77 -13,-0.0 -14,-0.3 2,-0.0 2,-0.3 -0.453 79.7 141.1 -96.3 58.9 96.0 36.5 16.4 17 19 A S - 0 0 13 -2,-0.9 2,-0.3 -3,-0.2 -14,-0.2 -0.799 45.7-138.2-110.9 147.3 96.5 33.4 14.2 18 20 A T E -b 3 0A 68 -16,-2.2 -14,-2.2 -2,-0.3 2,-0.7 -0.679 38.6 -93.3 -98.7 149.3 99.1 30.6 14.3 19 21 A K E S+b 4 0A 108 -2,-0.3 2,-0.2 -16,-0.2 -14,-0.2 -0.522 72.5 137.3 -67.4 108.3 100.8 29.2 11.3 20 22 A G - 0 0 13 -16,-2.3 2,-0.2 -2,-0.7 70,-0.0 -0.581 38.2-156.7-134.3-163.4 98.5 26.2 10.4 21 23 A D - 0 0 51 -2,-0.2 3,-0.5 1,-0.1 4,-0.3 -0.775 25.7-125.1 178.8 140.3 96.9 24.5 7.4 22 24 A I S >> S+ 0 0 7 -2,-0.2 4,-2.3 1,-0.2 3,-2.1 0.910 105.8 57.8 -64.5 -46.8 93.7 22.3 7.3 23 25 A N T 34 S+ 0 0 83 1,-0.3 -1,-0.2 2,-0.2 5,-0.0 0.687 99.8 59.0 -64.3 -20.5 95.4 19.2 5.6 24 26 A Q T 34 S+ 0 0 68 -3,-0.5 -1,-0.3 1,-0.1 -2,-0.2 0.583 120.7 26.8 -77.6 -12.6 97.9 18.9 8.4 25 27 A Y T <4 S+ 0 0 97 -3,-2.1 21,-2.3 -4,-0.3 2,-0.3 0.615 123.5 36.3-121.1 -21.5 95.1 18.5 10.9 26 28 A Y E < -C 45 0A 2 -4,-2.3 2,-0.7 19,-0.2 19,-0.2 -0.923 63.3-130.1-137.3 155.1 92.2 17.0 9.0 27 29 A T E -C 44 0A 63 17,-2.2 17,-2.9 -2,-0.3 2,-0.6 -0.940 29.1-148.8-105.8 108.6 91.3 14.6 6.1 28 30 A L E +C 43 0A 27 -2,-0.7 15,-0.2 15,-0.2 3,-0.1 -0.679 28.8 164.9 -82.2 120.0 89.0 16.4 3.8 29 31 A E E - 0 0 91 13,-3.6 -1,-0.1 -2,-0.6 14,-0.1 0.172 38.8 -4.7-112.4-135.0 86.7 13.9 2.2 30 32 A N E - 0 0 91 11,-0.1 12,-2.5 1,-0.1 2,-0.3 -0.240 64.8-113.7 -70.9 150.0 83.4 14.2 0.3 31 33 A T E -C 41 0A 59 10,-0.2 10,-0.3 1,-0.1 3,-0.1 -0.621 26.0-178.4 -76.6 133.0 81.4 17.4 -0.3 32 34 A I E S+ 0 0 91 8,-3.4 2,-0.3 1,-0.4 9,-0.2 0.407 72.7 10.1-111.7 -1.5 78.0 17.6 1.4 33 35 A G E +C 40 0A 24 7,-1.2 7,-3.3 2,-0.0 -1,-0.4 -0.855 64.8 174.0-173.8 139.4 76.9 21.0 0.0 34 36 A R E +C 39 0A 187 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.986 15.2 126.1-155.1 142.0 78.3 23.4 -2.6 35 37 A G E > S-C 38 0A 36 3,-2.3 3,-1.0 -2,-0.3 -2,-0.0 -0.855 73.4 -60.2-167.8-159.5 77.2 26.6 -4.3 36 38 A S T 3 S+ 0 0 100 -2,-0.3 3,-0.1 1,-0.2 -1,-0.0 0.822 125.4 64.7 -73.9 -28.9 78.5 30.1 -5.0 37 39 A W T 3 S- 0 0 97 1,-0.2 2,-0.3 20,-0.1 -1,-0.2 0.573 118.5 -92.7 -67.1 -12.1 78.8 30.7 -1.3 38 40 A G E < -C 35 0A 5 -3,-1.0 -3,-2.3 19,-0.2 2,-0.3 -0.977 48.9 -67.4 131.0-149.2 81.6 28.1 -0.9 39 41 A E E -CD 34 56A 22 17,-1.9 17,-3.2 -2,-0.3 2,-0.5 -0.997 19.2-146.2-153.3 137.7 81.6 24.3 -0.0 40 42 A V E +CD 33 55A 24 -7,-3.3 -8,-3.4 -2,-0.3 -7,-1.2 -0.954 26.4 176.9-109.9 121.0 81.0 22.0 2.9 41 43 A K E -CD 31 54A 59 13,-1.9 13,-2.7 -2,-0.5 2,-0.4 -0.823 36.6-107.0-114.8 151.5 83.3 18.9 3.0 42 44 A I E - D 0 53A 10 -12,-2.5 -13,-3.6 -2,-0.3 2,-0.6 -0.725 35.9-160.6 -76.9 127.6 83.4 16.1 5.6 43 45 A A E -CD 28 52A 0 9,-2.5 9,-2.8 -2,-0.4 2,-0.6 -0.939 4.3-158.5-116.7 111.3 86.6 16.6 7.6 44 46 A V E -CD 27 51A 18 -17,-2.9 -17,-2.2 -2,-0.6 7,-0.2 -0.775 23.7-125.2 -89.1 117.0 88.0 13.6 9.6 45 47 A Q E > -C 26 0A 46 5,-3.4 4,-1.5 -2,-0.6 2,-0.3 -0.289 29.0-107.4 -65.1 145.0 90.3 14.8 12.4 46 48 A K T 4 S- 0 0 111 -21,-2.3 -1,-0.1 1,-0.2 2,-0.1 -0.597 91.6 -0.8 -83.7 131.0 93.8 13.2 12.4 47 49 A G T 4 S+ 0 0 77 -2,-0.3 -1,-0.2 1,-0.1 -2,-0.1 -0.084 133.9 52.9 89.2 -33.2 94.7 10.6 15.0 48 50 A T T 4 S- 0 0 80 2,-0.1 -2,-0.2 -2,-0.1 -1,-0.1 0.591 90.9-143.4-104.7 -20.7 91.3 10.7 16.7 49 51 A R < + 0 0 193 -4,-1.5 2,-0.3 1,-0.2 -3,-0.1 0.653 37.8 161.1 61.1 21.9 89.1 10.1 13.6 50 52 A I - 0 0 82 -6,-0.1 -5,-3.4 1,-0.1 2,-0.5 -0.569 36.8-130.7 -72.3 132.2 86.3 12.5 14.8 51 53 A R E +D 44 0A 124 -2,-0.3 51,-0.5 -7,-0.2 -7,-0.2 -0.778 35.4 166.2 -94.1 122.6 84.1 13.5 11.9 52 54 A R E -D 43 0A 27 -9,-2.8 -9,-2.5 -2,-0.5 2,-0.5 -0.645 36.7-109.5-121.1 177.5 83.5 17.2 11.4 53 55 A A E -DE 42 100A 11 47,-2.3 47,-3.0 -11,-0.2 2,-0.8 -0.968 23.7-159.2-112.7 119.7 82.1 19.6 8.8 54 56 A A E -DE 41 99A 0 -13,-2.7 -13,-1.9 -2,-0.5 2,-0.8 -0.850 5.3-163.1-102.8 104.8 84.6 22.0 7.1 55 57 A K E -DE 40 98A 75 43,-2.8 43,-3.0 -2,-0.8 2,-0.4 -0.802 5.9-158.3 -89.7 109.4 82.8 24.9 5.5 56 58 A K E -DE 39 97A 52 -17,-3.2 -17,-1.9 -2,-0.8 41,-0.3 -0.753 9.2-168.7 -87.6 130.9 85.1 26.6 3.0 57 59 A I E - E 0 96A 14 39,-2.5 39,-2.6 -2,-0.4 2,-0.3 -0.990 20.8-127.7-126.1 124.9 84.2 30.3 2.3 58 60 A P E >> - E 0 95A 10 0, 0.0 3,-1.4 0, 0.0 4,-0.9 -0.543 11.6-147.0 -67.1 128.0 85.7 32.4 -0.5 59 61 A K T 34 S+ 0 0 22 35,-3.1 3,-0.3 -2,-0.3 36,-0.1 0.828 99.7 59.1 -66.7 -32.9 87.0 35.7 0.9 60 62 A Y T 34 S+ 0 0 180 34,-0.6 -1,-0.3 1,-0.2 35,-0.1 0.356 101.7 59.2 -76.1 5.9 86.1 37.5 -2.4 61 63 A F T <4 S+ 0 0 102 -3,-1.4 2,-0.4 -24,-0.1 -1,-0.2 0.752 83.6 83.6 -98.2 -37.8 82.5 36.3 -1.6 62 64 A V < - 0 0 23 -4,-0.9 3,-0.2 -3,-0.3 -5,-0.0 -0.563 58.0-168.7 -73.8 124.0 82.0 38.0 1.8 63 65 A E S S+ 0 0 184 -2,-0.4 2,-0.6 1,-0.3 -1,-0.2 0.897 77.3 37.0 -82.0 -44.1 81.0 41.6 1.1 64 66 A D > - 0 0 67 1,-0.1 4,-1.9 2,-0.0 -1,-0.3 -0.908 63.0-174.9-115.2 103.0 81.3 42.9 4.7 65 67 A V H > S+ 0 0 50 -2,-0.6 4,-2.5 -3,-0.2 5,-0.1 0.838 84.7 54.1 -63.5 -36.8 84.3 41.4 6.5 66 68 A D H > S+ 0 0 117 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.877 109.1 46.6 -71.5 -40.5 83.4 43.1 9.8 67 69 A R H > S+ 0 0 131 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.876 113.5 50.8 -62.2 -41.0 79.9 41.7 9.9 68 70 A F H X S+ 0 0 25 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.887 109.4 49.9 -64.3 -41.8 81.3 38.3 9.0 69 71 A K H X S+ 0 0 59 -4,-2.5 4,-2.9 2,-0.2 -1,-0.2 0.860 109.5 51.8 -64.6 -38.0 83.8 38.5 11.9 70 72 A Q H X S+ 0 0 85 -4,-1.8 4,-1.3 2,-0.2 -2,-0.2 0.861 107.7 52.6 -66.7 -36.7 81.0 39.5 14.3 71 73 A E H X S+ 0 0 39 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.935 114.0 42.8 -59.2 -47.7 79.1 36.4 13.1 72 74 A I H X S+ 0 0 3 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.910 112.1 51.5 -67.1 -46.2 82.1 34.2 13.8 73 75 A E H < S+ 0 0 69 -4,-2.9 -1,-0.2 2,-0.2 -2,-0.2 0.740 110.9 50.6 -65.2 -23.4 83.0 35.8 17.2 74 76 A I H >X S+ 0 0 1 -4,-1.3 3,-1.3 -5,-0.2 4,-0.9 0.922 110.2 50.1 -70.3 -48.9 79.3 35.3 18.2 75 77 A M H 3< S+ 0 0 16 -4,-2.0 11,-0.4 1,-0.3 3,-0.3 0.816 108.0 51.5 -63.0 -36.1 79.5 31.6 17.2 76 78 A K T 3< S+ 0 0 103 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.534 104.6 58.4 -81.1 -4.0 82.7 30.9 19.1 77 79 A S T <4 S+ 0 0 38 -3,-1.3 2,-0.5 -5,-0.2 -1,-0.2 0.701 90.6 83.3 -90.9 -21.4 81.2 32.4 22.3 78 80 A L < + 0 0 4 -4,-0.9 2,-0.3 -3,-0.3 8,-0.3 -0.727 47.2 170.1 -90.3 124.9 78.2 30.0 22.4 79 81 A D + 0 0 108 -2,-0.5 5,-0.1 6,-0.1 6,-0.1 -0.762 26.3 129.3-134.2 91.2 78.7 26.5 23.9 80 82 A H > - 0 0 26 3,-0.4 3,-2.2 -2,-0.3 53,-0.0 -0.993 63.8-118.7-147.8 138.0 75.4 24.7 24.3 81 83 A P T 3 S+ 0 0 88 0, 0.0 4,-0.1 0, 0.0 52,-0.1 0.620 114.2 48.5 -55.2 -16.1 74.1 21.2 23.4 82 84 A N T 3 S+ 0 0 11 82,-0.1 83,-2.3 50,-0.1 2,-0.4 0.149 99.9 75.1-112.9 15.2 71.4 22.8 21.1 83 85 A I B < S-g 165 0B 3 -3,-2.2 -3,-0.4 81,-0.3 83,-0.2 -0.999 90.9-102.7-130.0 133.4 73.6 25.2 19.2 84 86 A I - 0 0 10 81,-2.5 2,-0.4 -2,-0.4 -6,-0.1 -0.182 39.1-132.5 -49.9 135.6 76.0 24.3 16.5 85 87 A R - 0 0 92 -4,-0.1 16,-2.4 -6,-0.1 2,-0.5 -0.803 11.6-156.7-103.5 136.1 79.7 24.2 17.7 86 88 A L E + F 0 100A 11 -11,-0.4 14,-0.2 -2,-0.4 3,-0.1 -0.948 12.7 177.1-108.4 120.3 82.6 25.8 15.9 87 89 A Y E - 0 0 68 12,-2.8 2,-0.3 -2,-0.5 13,-0.2 0.840 58.0 -21.9 -96.0 -37.6 85.9 24.3 16.8 88 90 A E E - F 0 99A 29 11,-1.2 11,-2.8 2,-0.0 2,-0.3 -0.986 47.0-134.5-164.7 167.5 88.4 26.1 14.7 89 91 A T E -aF 2 98A 1 -88,-1.9 -86,-2.8 -2,-0.3 2,-0.4 -0.990 11.5-167.2-131.2 141.6 89.1 28.3 11.6 90 92 A F E -aF 3 97A 4 7,-1.6 7,-3.1 -2,-0.3 2,-0.3 -0.996 15.1-160.7-124.9 134.0 91.9 28.0 9.0 91 93 A E E -aF 4 96A 7 -88,-2.1 -86,-1.5 -2,-0.4 5,-0.2 -0.913 16.0-177.3-129.3 153.7 92.7 30.7 6.5 92 94 A D - 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0 0 7 -2,-0.3 3,-1.6 -21,-0.2 4,-0.1 -0.452 54.9 -64.2-116.9-165.7 47.7 58.7 9.0 770 203 D P T > S+ 0 0 29 0, 0.0 3,-1.8 0, 0.0 4,-0.4 0.747 116.2 79.6 -49.1 -33.2 47.0 62.4 8.1 771 204 D E T 3> + 0 0 61 1,-0.3 4,-1.2 2,-0.2 67,-0.0 0.519 68.5 82.5 -67.4 -2.9 47.4 63.3 11.8 772 205 D C H <> S+ 0 0 6 -3,-1.6 4,-1.7 2,-0.2 -1,-0.3 0.846 86.8 58.0 -62.4 -34.7 51.2 63.3 11.5 773 206 D D H <> S+ 0 0 0 -3,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.881 101.1 54.9 -63.2 -41.9 50.9 66.9 10.2 774 207 D E H > S+ 0 0 8 -4,-0.4 4,-1.5 1,-0.2 -1,-0.2 0.852 105.3 53.1 -60.4 -37.0 49.1 68.0 13.3 775 208 D W H X S+ 0 0 3 -4,-1.2 4,-1.6 2,-0.2 -1,-0.2 0.931 110.4 46.5 -58.9 -49.2 52.0 66.7 15.4 776 209 D S H X S+ 0 0 7 -4,-1.7 4,-1.9 1,-0.2 -2,-0.2 0.814 106.7 58.2 -67.4 -33.2 54.6 68.6 13.4 777 210 D A H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.874 107.0 49.8 -57.7 -40.8 52.4 71.8 13.6 778 211 D G H X S+ 0 0 0 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.848 109.5 49.1 -66.2 -39.5 52.7 71.4 17.4 779 212 D V H X S+ 0 0 0 -4,-1.6 4,-1.8 -21,-0.2 -2,-0.2 0.861 111.7 50.7 -66.3 -37.5 56.5 71.1 17.2 780 213 D M H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.948 108.4 51.2 -67.6 -50.5 56.7 74.1 15.0 781 214 D M H X S+ 0 0 1 -4,-2.4 4,-1.8 1,-0.2 3,-0.2 0.949 109.9 49.3 -45.0 -61.5 54.5 76.2 17.4 782 215 D Y H X S+ 0 0 5 -4,-2.0 4,-1.2 1,-0.2 5,-0.4 0.868 113.0 48.7 -46.5 -44.5 56.7 75.3 20.4 783 216 D V H X S+ 0 0 16 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.866 108.5 52.2 -67.8 -39.5 59.8 76.3 18.2 784 217 D L H < S+ 0 0 2 -4,-2.4 -97,-2.5 -3,-0.2 -1,-0.2 0.806 112.9 47.5 -62.7 -32.6 58.2 79.7 17.2 785 218 D L H < S+ 0 0 6 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.658 132.1 8.0 -91.4 -19.4 57.6 80.5 20.9 786 219 D C H < S- 0 0 10 -4,-1.2 -3,-0.2 2,-0.2 -2,-0.2 0.560 90.4-117.1-136.2 -15.6 61.0 79.6 22.4 787 220 D G S < S+ 0 0 16 -4,-1.9 -4,-0.2 -5,-0.4 -3,-0.1 0.504 85.7 77.5 88.4 2.6 63.6 78.8 19.8 788 221 D Y S S- 0 0 68 -6,-0.4 -1,-0.2 4,-0.0 -2,-0.2 -0.961 81.6-104.3-134.3 158.0 64.3 75.2 20.6 789 222 D P - 0 0 30 0, 0.0 -9,-0.1 0, 0.0 -10,-0.1 -0.370 23.6-118.5 -81.2 159.2 62.3 72.0 19.9 790 223 D P S S+ 0 0 13 0, 0.0 2,-0.5 0, 0.0 19,-0.3 0.817 102.2 45.5 -62.9 -32.7 60.2 70.0 22.5 791 224 D F + 0 0 4 -34,-0.3 2,-0.3 17,-0.1 8,-0.1 -0.973 69.4 152.3-120.4 121.9 62.3 66.9 22.0 792 225 D S + 0 0 72 -2,-0.5 4,-0.0 6,-0.1 -4,-0.0 -0.983 6.2 157.8-146.8 155.8 66.1 67.0 22.0 793 226 D A - 0 0 34 -2,-0.3 6,-0.1 1,-0.0 -2,-0.0 -0.973 53.3 -91.2-169.6 163.4 68.9 64.6 22.9 794 227 D P S S+ 0 0 108 0, 0.0 2,-0.3 0, 0.0 -1,-0.0 0.769 107.3 27.5 -60.7 -28.8 72.6 63.8 22.3 795 228 D T S > S- 0 0 45 1,-0.1 4,-1.4 -3,-0.0 5,-0.1 -0.879 78.9-116.5-130.6 164.9 71.8 61.5 19.4 796 229 D D H > S+ 0 0 87 -2,-0.3 4,-1.1 2,-0.2 -1,-0.1 0.803 117.4 49.1 -68.4 -31.0 69.1 61.0 16.7 797 230 D X H > S+ 0 0 73 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.908 109.3 51.6 -74.6 -39.8 68.2 57.6 18.1 798 231 D E H > S+ 0 0 90 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.838 109.7 51.0 -60.9 -32.3 68.0 59.0 21.7 799 232 D V H X S+ 0 0 10 -4,-1.4 4,-1.7 2,-0.2 -1,-0.2 0.800 105.6 55.2 -78.1 -29.0 65.7 61.7 20.4 800 233 D M H X S+ 0 0 20 -4,-1.1 4,-2.0 2,-0.2 -2,-0.2 0.813 105.1 53.6 -68.5 -29.9 63.5 59.1 18.7 801 234 D L H X S+ 0 0 85 -4,-1.6 4,-2.7 2,-0.2 -2,-0.2 0.920 107.8 50.9 -66.2 -44.9 63.2 57.4 22.2 802 235 D K H < S+ 0 0 100 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.862 112.4 45.3 -60.9 -40.1 62.0 60.6 23.7 803 236 D I H < S+ 0 0 0 -4,-1.7 3,-0.3 1,-0.1 -1,-0.2 0.916 117.3 43.5 -67.8 -48.0 59.3 61.2 20.9 804 237 D R H < S+ 0 0 17 -4,-2.0 2,-0.7 1,-0.2 -2,-0.2 0.945 123.5 32.7 -60.9 -49.6 58.0 57.6 21.0 805 238 D E S < S- 0 0 124 -4,-2.7 2,-0.4 -5,-0.2 -1,-0.2 -0.803 112.4 -20.7-127.5 90.4 58.0 57.2 24.7 806 239 D G - 0 0 36 -2,-0.7 2,-0.2 -3,-0.3 26,-0.1 -0.899 66.9 -49.6 128.1-142.1 57.2 60.1 26.9 807 240 D T - 0 0 112 -2,-0.4 2,-0.3 -17,-0.0 -2,-0.1 -0.526 17.2-132.6-141.6-179.5 57.1 63.8 27.3 808 241 D F - 0 0 16 -2,-0.2 2,-0.3 -17,-0.1 -17,-0.1 -0.928 19.2-142.7-142.0 159.0 58.3 67.4 27.1 809 242 D T - 0 0 96 -19,-0.3 0, 0.0 -2,-0.3 0, 0.0 -0.791 16.8-129.9-121.6 164.6 58.3 70.4 29.4 810 243 D F - 0 0 29 -2,-0.3 5,-0.1 5,-0.0 4,-0.1 -0.856 37.8-137.0-108.7 88.9 57.8 74.1 29.0 811 244 D P >> - 0 0 46 0, 0.0 4,-1.1 0, 0.0 3,-1.1 -0.135 9.7-127.0 -53.8 147.9 60.9 75.4 30.9 812 245 D E H 3> S+ 0 0 172 1,-0.3 4,-1.2 2,-0.2 3,-0.1 0.805 99.9 60.6 -72.2 -36.6 60.1 78.4 33.2 813 246 D K H 34 S+ 0 0 186 1,-0.2 -1,-0.3 2,-0.2 4,-0.0 0.275 119.8 28.7 -78.9 11.9 62.7 81.0 32.0 814 247 D D H <4 S+ 0 0 66 -3,-1.1 -1,-0.2 -4,-0.1 -2,-0.2 0.397 121.1 48.2-141.4 -15.5 61.2 80.9 28.5 815 248 D W H < S+ 0 0 7 -4,-1.1 -3,-0.2 -5,-0.1 -2,-0.2 0.365 83.7 97.2-116.6 0.9 57.6 80.1 29.0 816 249 D L S < S+ 0 0 145 -4,-1.2 -3,-0.1 1,-0.2 -1,-0.1 0.964 90.0 35.5 -44.3 -69.0 57.0 82.6 31.8 817 250 D N S S+ 0 0 144 2,-0.1 2,-0.3 -4,-0.0 -1,-0.2 0.597 98.6 99.9 -73.3 -12.4 55.5 85.4 29.7 818 251 D V S S- 0 0 13 -3,-0.1 -4,-0.0 1,-0.1 -3,-0.0 -0.574 80.0-106.6 -81.6 136.3 53.7 82.9 27.3 819 252 D S >> - 0 0 22 -2,-0.3 4,-1.3 1,-0.1 3,-1.1 -0.238 14.9-122.9 -65.0 141.7 50.0 82.4 28.0 820 253 D P H 3> S+ 0 0 98 0, 0.0 4,-1.1 0, 0.0 -1,-0.1 0.783 111.2 63.0 -41.0 -36.9 48.4 79.2 29.5 821 254 D Q H 3> S+ 0 0 48 2,-0.2 4,-1.5 1,-0.2 27,-0.3 0.787 99.7 50.9 -70.3 -29.5 46.3 78.9 26.3 822 255 D A H <> S+ 0 0 0 -3,-1.1 4,-2.0 2,-0.2 -1,-0.2 0.939 109.0 49.9 -69.8 -49.9 49.3 78.5 24.0 823 256 D E H X S+ 0 0 41 -4,-1.3 4,-1.6 1,-0.2 -2,-0.2 0.778 109.7 54.9 -57.1 -28.4 50.8 75.7 26.1 824 257 D S H X S+ 0 0 53 -4,-1.1 4,-1.6 2,-0.2 -1,-0.2 0.881 106.6 47.0 -76.3 -41.4 47.4 74.0 26.0 825 258 D L H X S+ 0 0 0 -4,-1.5 4,-1.0 2,-0.2 -2,-0.2 0.874 111.4 53.2 -65.1 -40.2 47.0 74.0 22.2 826 259 D I H >X S+ 0 0 0 -4,-2.0 4,-3.0 1,-0.2 3,-0.9 0.936 107.3 51.3 -59.1 -48.3 50.5 72.6 21.9 827 260 D R H 3< S+ 0 0 131 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.843 107.8 52.8 -58.7 -37.2 49.6 69.8 24.4 828 261 D R H 3< S+ 0 0 89 -4,-1.6 10,-2.4 1,-0.2 3,-0.3 0.702 116.0 39.8 -69.1 -23.7 46.5 69.0 22.2 829 262 D L H << S+ 0 0 0 -4,-1.0 -2,-0.2 -3,-0.9 -51,-0.2 0.766 111.4 55.3 -94.4 -36.1 48.7 68.7 19.1 830 263 D L S < S+ 0 0 10 -4,-3.0 2,-0.5 -5,-0.2 -1,-0.2 -0.229 78.9 133.5 -90.7 40.1 51.6 66.9 20.8 831 264 D T - 0 0 35 -3,-0.3 6,-0.2 -2,-0.1 5,-0.1 -0.856 56.8-139.5 -94.3 122.3 49.3 64.2 22.0 832 265 D K S S+ 0 0 104 -2,-0.5 -70,-0.2 -26,-0.1 -1,-0.1 0.842 82.8 76.4 -47.6 -45.1 50.7 60.6 21.4 833 266 D S S >> S- 0 0 19 1,-0.1 4,-2.6 -72,-0.1 3,-0.7 -0.603 70.3-150.9 -80.5 121.4 47.3 59.1 20.4 834 267 D P T 34 S+ 0 0 28 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.853 96.3 48.3 -56.1 -38.2 46.3 60.0 16.8 835 268 D K T 34 S+ 0 0 133 1,-0.2 4,-0.1 -354,-0.0 -2,-0.0 0.709 115.5 43.2 -81.6 -20.5 42.5 59.8 17.6 836 269 D Q T <4 S+ 0 0 44 -3,-0.7 -1,-0.2 2,-0.1 3,-0.1 0.833 93.1 97.7 -88.2 -39.3 42.7 61.9 20.7 837 270 D R S < S- 0 0 8 -4,-2.6 -8,-0.2 -6,-0.2 2,-0.1 -0.113 87.5 -99.1 -42.0 142.3 45.1 64.6 19.2 838 271 D I - 0 0 7 -10,-2.4 2,-0.1 -13,-0.2 -1,-0.1 -0.457 32.0-125.3 -72.2 136.9 43.2 67.7 18.0 839 272 D T > - 0 0 53 -2,-0.1 4,-2.6 1,-0.1 5,-0.1 -0.453 23.6-114.7 -74.5 158.4 42.4 68.0 14.3 840 273 D S H > S+ 0 0 5 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.895 118.5 55.4 -65.2 -36.6 43.6 71.1 12.5 841 274 D L H 4 S+ 0 0 114 1,-0.2 4,-0.5 2,-0.2 3,-0.3 0.934 112.1 43.0 -53.4 -49.3 39.9 72.1 12.0 842 275 D Q H >4 S+ 0 0 105 1,-0.2 3,-1.2 2,-0.2 -2,-0.2 0.858 107.5 59.0 -68.5 -36.6 39.4 71.8 15.7 843 276 D A H >< S+ 0 0 0 -4,-2.6 3,-1.4 1,-0.3 6,-0.2 0.810 97.7 61.3 -64.3 -29.9 42.6 73.6 16.5 844 277 D L T 3< S+ 0 0 25 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.697 101.7 54.3 -64.9 -23.8 41.3 76.7 14.6 845 278 D E T < S+ 0 0 132 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 0.425 85.7 127.6 -85.4 -1.5 38.5 76.8 17.1 846 279 D H S X> S- 0 0 27 -3,-1.4 4,-1.4 -4,-0.2 3,-1.3 -0.169 70.4-120.0 -67.3 151.2 40.9 76.9 20.0 847 280 D E H 3> S+ 0 0 117 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.777 107.7 68.3 -58.4 -32.1 40.7 79.6 22.8 848 281 D W H 3> S+ 0 0 0 -27,-0.3 4,-1.2 1,-0.2 -1,-0.2 0.792 104.2 42.4 -59.1 -33.9 44.3 80.8 22.0 849 282 D F H <> S+ 0 0 6 -3,-1.3 4,-1.9 -6,-0.2 -1,-0.2 0.865 111.5 53.9 -79.7 -42.3 43.1 82.2 18.6 850 283 D E H < S+ 0 0 134 -4,-1.4 -2,-0.2 1,-0.2 -3,-0.1 0.887 117.2 39.1 -55.6 -41.1 39.9 83.7 20.0 851 284 D K H < S+ 0 0 144 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.793 120.5 41.8 -79.6 -34.2 42.0 85.5 22.6 852 285 D Q H < 0 0 51 -4,-1.2 -2,-0.2 -5,-0.2 -1,-0.2 0.557 360.0 360.0 -98.3 -13.5 45.0 86.5 20.5 853 286 D L < 0 0 115 -4,-1.9 -3,-0.2 -160,-0.1 -2,-0.1 0.286 360.0 360.0-119.9 360.0 43.2 87.6 17.3