==== 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 11-JUN-08 3DFA . COMPND 2 MOLECULE: CALCIUM-DEPENDENT PROTEIN KINASE CGD3_920; . SOURCE 2 ORGANISM_SCIENTIFIC: CRYPTOSPORIDIUM PARVUM; . AUTHOR A.K.WERNIMONT,J.LEW,Y.H.LIN,A.HASSANALI,C.KHUU,Z.ALAM,I.KOZI . 265 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13597.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 176 66.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 37 14.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 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 . 2 0.8 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 . 13 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 89 33.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 0 4 0 0 1 0 3 0 0 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 1 0 0 2 1 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 0 1 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 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 Y 0 0 275 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -10.9 -7.5 -17.2 -27.6 2 -1 A F - 0 0 209 1,-0.1 77,-0.2 77,-0.0 2,-0.0 0.778 360.0-175.2 32.7 51.2 -8.4 -13.9 -25.9 3 0 A Q - 0 0 59 1,-0.1 -1,-0.1 75,-0.1 75,-0.1 -0.259 16.0-119.1 -72.4 160.0 -4.7 -13.4 -24.8 4 1 A G > - 0 0 17 1,-0.0 4,-0.9 72,-0.0 74,-0.2 0.007 35.9 -83.3 -88.0-166.9 -3.6 -10.5 -22.6 5 2 A T H > S+ 0 0 52 72,-1.0 4,-0.7 1,-0.2 73,-0.1 0.703 125.2 58.7 -70.5 -21.6 -1.1 -7.6 -23.0 6 3 A F H >> S+ 0 0 17 71,-0.6 4,-3.5 2,-0.2 3,-0.6 0.945 101.2 48.9 -72.6 -53.3 1.7 -10.0 -22.0 7 4 A A H 34 S+ 0 0 39 1,-0.3 -2,-0.2 2,-0.2 -1,-0.2 0.761 111.3 51.3 -63.6 -28.1 1.3 -12.7 -24.8 8 5 A E H 3< S+ 0 0 153 -4,-0.9 -1,-0.3 1,-0.1 -2,-0.2 0.778 120.0 35.4 -75.6 -29.0 1.2 -10.0 -27.5 9 6 A R H << S+ 0 0 48 -4,-0.7 21,-3.2 -3,-0.6 22,-0.4 0.771 127.0 23.9 -96.2 -32.6 4.4 -8.4 -26.1 10 7 A Y E < -A 29 0A 6 -4,-3.5 2,-0.3 19,-0.2 19,-0.2 -0.915 53.1-162.5-132.1 156.3 6.3 -11.5 -25.0 11 8 A N E -A 28 0A 92 17,-1.4 17,-1.1 -2,-0.3 -4,-0.0 -0.944 36.5-107.6-140.2 126.4 6.5 -15.3 -25.6 12 9 A I E -A 27 0A 56 -2,-0.3 15,-0.3 15,-0.2 3,-0.1 -0.110 23.6-170.8 -55.8 136.2 8.1 -17.6 -23.1 13 10 A V E - 0 0 77 13,-3.5 2,-0.3 1,-0.4 14,-0.2 0.879 66.7 -35.7 -87.0 -51.3 11.5 -19.2 -24.0 14 11 A C E -A 26 0A 61 12,-1.3 12,-2.8 0, 0.0 2,-0.4 -0.965 65.6 -82.8-162.1 170.0 11.6 -21.6 -21.1 15 12 A M E -A 25 0A 89 -2,-0.3 10,-0.2 10,-0.2 3,-0.1 -0.738 28.6-168.3 -84.0 130.9 10.7 -22.2 -17.4 16 13 A L E - 0 0 67 8,-2.7 9,-0.2 -2,-0.4 2,-0.2 0.699 52.9 -84.5 -91.0 -23.6 13.3 -20.8 -15.0 17 14 A G E -A 24 0A 28 7,-1.3 7,-1.3 2,-0.0 -1,-0.3 -0.478 52.0 -56.8 132.5 156.9 12.0 -22.5 -11.9 18 15 A K E -A 23 0A 147 5,-0.2 5,-0.2 -2,-0.2 2,-0.2 -0.399 55.5-165.8 -64.4 136.0 9.3 -22.2 -9.1 19 16 A G - 0 0 25 3,-3.6 141,-0.1 -2,-0.1 -1,-0.1 -0.456 38.2 -91.8-111.9-172.6 9.6 -19.0 -7.1 20 17 A S S S+ 0 0 28 1,-0.2 140,-2.7 -2,-0.2 3,-0.1 0.726 126.2 34.3 -72.3 -22.0 8.2 -17.6 -3.9 21 18 A F S S- 0 0 16 1,-0.3 21,-0.4 138,-0.2 2,-0.3 0.516 128.3 -68.2-110.8 -11.8 5.2 -16.1 -5.7 22 19 A G S S- 0 0 22 19,-0.1 -3,-3.6 138,-0.0 -1,-0.3 -0.986 86.3 -10.2 155.2-155.2 4.5 -18.7 -8.5 23 20 A E E -A 18 0A 45 17,-0.5 17,-2.4 -2,-0.3 2,-0.5 -0.520 56.0-146.0 -74.7 142.9 6.3 -19.9 -11.7 24 21 A V E -AB 17 39A 20 -7,-1.3 -8,-2.7 15,-0.2 -7,-1.3 -0.968 20.4-168.5-112.4 125.5 9.3 -17.9 -12.9 25 22 A L E -AB 15 38A 34 13,-3.1 13,-2.9 -2,-0.5 2,-0.6 -0.819 24.3-132.4-116.3 150.2 9.7 -17.8 -16.7 26 23 A K E -AB 14 37A 57 -12,-2.8 -13,-3.5 -2,-0.3 -12,-1.3 -0.920 39.0-177.9 -96.7 119.3 12.4 -16.7 -19.2 27 24 A C E -AB 12 36A 0 9,-3.0 9,-3.0 -2,-0.6 2,-0.4 -0.890 22.4-145.1-123.1 149.8 10.8 -14.5 -21.8 28 25 A K E -AB 11 35A 9 -17,-1.1 -17,-1.4 -2,-0.3 2,-0.3 -0.916 25.9-118.6-108.5 139.6 11.8 -12.6 -24.9 29 26 A D E > -A 10 0A 12 5,-2.3 4,-0.6 -2,-0.4 -19,-0.2 -0.590 19.9-139.6 -68.3 135.1 10.3 -9.3 -26.0 30 27 A R T 4 S+ 0 0 81 -21,-3.2 -1,-0.1 -2,-0.3 -20,-0.1 0.731 96.2 29.7 -73.1 -22.3 8.6 -9.8 -29.4 31 28 A I T 4 S+ 0 0 139 -22,-0.4 -1,-0.1 3,-0.1 -21,-0.0 0.879 130.4 29.5-100.4 -62.4 9.9 -6.4 -30.7 32 29 A T T 4 S- 0 0 93 2,-0.1 -2,-0.1 1,-0.1 3,-0.1 0.745 89.6-142.3 -74.9 -25.4 13.2 -5.6 -29.1 33 30 A Q < + 0 0 132 -4,-0.6 2,-0.1 1,-0.3 -3,-0.1 0.513 48.9 143.3 74.0 8.8 14.2 -9.3 -28.6 34 31 A Q - 0 0 106 -6,-0.1 -5,-2.3 1,-0.1 2,-0.3 -0.459 48.8-119.5 -74.4 151.8 15.8 -8.6 -25.2 35 32 A E E +B 28 0A 85 -7,-0.2 53,-0.4 -2,-0.1 2,-0.3 -0.764 31.8 179.5-103.5 141.9 15.4 -11.4 -22.5 36 33 A Y E -B 27 0A 25 -9,-3.0 -9,-3.0 -2,-0.3 2,-0.7 -0.939 32.0-120.1-137.6 156.1 13.7 -11.0 -19.1 37 34 A A E -BC 26 86A 10 49,-2.0 49,-2.0 -2,-0.3 2,-0.5 -0.885 36.1-165.5 -98.7 110.8 12.8 -13.0 -16.0 38 35 A V E -BC 25 85A 0 -13,-2.9 -13,-3.1 -2,-0.7 2,-0.7 -0.858 11.9-150.1-108.2 123.6 9.0 -12.9 -15.7 39 36 A K E -BC 24 84A 27 45,-2.4 45,-2.5 -2,-0.5 2,-0.6 -0.814 9.7-151.2 -92.7 115.6 7.1 -13.9 -12.5 40 37 A V E - C 0 83A 28 -17,-2.4 2,-0.5 -2,-0.7 -17,-0.5 -0.788 18.3-174.3 -85.4 117.2 3.7 -15.3 -13.2 41 38 A I E - C 0 82A 0 41,-2.9 41,-3.6 -2,-0.6 -19,-0.1 -0.960 25.2-122.5-121.8 117.8 1.5 -14.5 -10.2 42 39 A N E > - C 0 81A 97 -2,-0.5 3,-2.3 -21,-0.4 39,-0.3 -0.291 20.0-128.8 -55.4 133.7 -2.1 -15.8 -9.9 43 40 A K G > S+ 0 0 56 37,-2.8 3,-1.3 1,-0.3 -1,-0.1 0.733 106.8 66.6 -61.3 -23.2 -4.6 -13.0 -9.4 44 41 A A G 3 S+ 0 0 91 36,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.661 90.5 65.7 -68.3 -17.6 -6.0 -14.7 -6.4 45 42 A S G < S+ 0 0 22 -3,-2.3 113,-3.2 -24,-0.1 -1,-0.2 0.500 74.4 119.1 -83.1 -4.9 -2.7 -14.1 -4.7 46 43 A A B < -E 157 0B 28 -3,-1.3 111,-0.2 111,-0.2 110,-0.1 -0.423 53.9-156.9 -61.8 132.3 -3.3 -10.3 -4.8 47 44 A K S S+ 0 0 80 109,-2.7 2,-0.5 -2,-0.1 -1,-0.1 0.660 78.4 56.9 -86.2 -20.6 -3.4 -8.8 -1.2 48 45 A N - 0 0 60 108,-0.5 6,-0.1 1,-0.1 -1,-0.1 -0.966 67.5-153.2-118.9 125.6 -5.5 -5.9 -2.3 49 46 A K S S+ 0 0 159 -2,-0.5 2,-1.1 1,-0.1 -1,-0.1 0.772 85.9 78.3 -66.0 -27.2 -8.9 -6.2 -4.0 50 47 A D >> - 0 0 82 1,-0.2 4,-1.0 -3,-0.1 3,-0.9 -0.748 67.3-168.0 -83.9 97.7 -8.4 -2.8 -5.7 51 48 A T H 3> S+ 0 0 49 -2,-1.1 4,-2.4 1,-0.2 3,-0.3 0.834 81.3 65.0 -54.7 -36.8 -6.0 -3.7 -8.5 52 49 A S H 3> S+ 0 0 71 1,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.844 97.0 56.1 -61.4 -34.8 -5.2 -0.0 -9.2 53 50 A T H <> S+ 0 0 63 -3,-0.9 4,-1.9 2,-0.2 -1,-0.3 0.915 109.2 46.5 -60.2 -45.1 -3.6 0.3 -5.8 54 51 A I H X S+ 0 0 3 -4,-1.0 4,-2.4 -3,-0.3 5,-0.2 0.900 109.0 53.7 -63.0 -43.9 -1.2 -2.6 -6.7 55 52 A L H X S+ 0 0 59 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.806 109.2 51.4 -62.1 -28.0 -0.4 -1.1 -10.1 56 53 A R H X S+ 0 0 158 -4,-1.5 4,-2.2 -5,-0.2 -2,-0.2 0.878 107.6 49.8 -75.5 -44.5 0.5 2.1 -8.3 57 54 A E H X S+ 0 0 62 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.949 114.3 46.0 -55.3 -51.5 2.9 0.4 -5.8 58 55 A V H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.907 108.2 56.7 -60.9 -43.3 4.6 -1.4 -8.7 59 56 A E H X S+ 0 0 70 -4,-1.8 4,-1.2 1,-0.2 -1,-0.2 0.921 106.7 49.3 -54.3 -46.9 4.7 1.9 -10.7 60 57 A L H X S+ 0 0 76 -4,-2.2 4,-0.6 1,-0.2 -1,-0.2 0.873 111.0 50.6 -57.9 -39.9 6.7 3.5 -7.8 61 58 A L H < S+ 0 0 12 -4,-1.8 3,-0.4 1,-0.2 11,-0.4 0.813 104.0 58.2 -68.2 -32.1 9.0 0.4 -7.8 62 59 A K H < S+ 0 0 47 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.817 102.4 54.6 -67.0 -30.4 9.6 0.8 -11.5 63 60 A K H < S+ 0 0 148 -4,-1.2 -1,-0.2 -3,-0.2 -2,-0.2 0.709 92.4 94.0 -76.9 -21.4 10.9 4.3 -11.0 64 61 A L < - 0 0 19 -4,-0.6 2,-0.3 -3,-0.4 8,-0.2 -0.364 52.1-176.3 -75.8 152.9 13.5 3.1 -8.5 65 62 A D + 0 0 107 -2,-0.1 5,-0.1 6,-0.1 -3,-0.0 -0.885 13.9 149.4-157.8 115.0 17.1 2.3 -9.4 66 63 A H > - 0 0 26 3,-0.5 3,-2.9 -2,-0.3 53,-0.0 -0.961 47.1-125.1-151.6 132.5 20.0 0.9 -7.3 67 64 A P T 3 S+ 0 0 109 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.735 113.5 45.3 -45.4 -32.0 23.0 -1.3 -8.3 68 65 A N T 3 S+ 0 0 15 47,-0.1 80,-2.6 79,-0.1 2,-0.5 0.180 99.1 84.3-101.8 14.4 22.0 -3.8 -5.5 69 66 A I B < S-f 148 0C 16 -3,-2.9 -3,-0.5 78,-0.2 80,-0.2 -0.975 82.8-119.1-122.5 121.4 18.3 -3.9 -6.3 70 67 A M - 0 0 24 78,-2.4 2,-0.3 -2,-0.5 81,-0.2 -0.317 37.9-115.7 -55.7 132.0 16.8 -6.2 -9.0 71 68 A K - 0 0 45 -4,-0.1 16,-1.5 79,-0.0 2,-0.6 -0.573 19.1-153.3 -80.3 131.6 15.1 -4.0 -11.6 72 69 A L E +D 86 0A 21 -11,-0.4 14,-0.2 -2,-0.3 3,-0.1 -0.936 15.5 179.0-104.3 114.9 11.4 -4.3 -12.0 73 70 A F E - 0 0 75 12,-2.7 2,-0.3 -2,-0.6 13,-0.2 0.934 54.0 -25.9 -86.6 -53.0 10.6 -3.3 -15.6 74 71 A E E -D 85 0A 45 11,-1.3 11,-3.0 2,-0.0 2,-0.4 -0.983 44.9-130.0-157.3 169.1 6.8 -3.7 -15.9 75 72 A I E -D 84 0A 24 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.995 28.0-178.7-124.8 126.6 3.6 -5.4 -14.7 76 73 A L E -D 83 0A 26 7,-2.2 7,-2.5 -2,-0.4 2,-0.4 -0.811 13.4-132.3-125.1 166.8 1.2 -7.0 -17.2 77 74 A E E -D 82 0A 65 -2,-0.3 -72,-1.0 5,-0.2 -71,-0.6 -0.933 16.5-178.9-129.9 142.2 -2.2 -8.8 -16.8 78 75 A D - 0 0 42 3,-2.9 -75,-0.1 -2,-0.4 5,-0.0 -0.456 50.6-100.1-104.5-172.2 -4.0 -11.9 -18.0 79 76 A S S S+ 0 0 115 -2,-0.2 3,-0.1 -77,-0.2 -76,-0.0 0.796 125.5 27.5 -71.0 -32.3 -7.6 -12.9 -17.1 80 77 A S S S+ 0 0 79 1,-0.1 -37,-2.8 -38,-0.1 -36,-0.3 0.749 123.2 19.7-102.5 -29.9 -5.9 -15.2 -14.6 81 78 A S E -C 42 0A 13 -39,-0.3 -3,-2.9 -38,-0.1 2,-0.3 -0.903 58.7-116.7-147.3 163.0 -2.6 -13.7 -13.5 82 79 A F E -CD 41 77A 2 -41,-3.6 -41,-2.9 -2,-0.3 2,-0.5 -0.731 23.5-147.9 -95.7 153.8 -0.1 -10.9 -13.2 83 80 A Y E -CD 40 76A 20 -7,-2.5 -7,-2.2 -2,-0.3 2,-0.8 -0.947 4.6-161.6-128.4 109.4 3.3 -10.8 -15.0 84 81 A I E -CD 39 75A 5 -45,-2.5 -45,-2.4 -2,-0.5 2,-0.7 -0.815 10.8-155.6 -92.4 107.0 6.2 -9.1 -13.2 85 82 A V E +CD 38 74A 0 -11,-3.0 -12,-2.7 -2,-0.8 -11,-1.3 -0.759 30.8 150.9 -88.0 112.9 8.8 -8.4 -15.9 86 83 A G E -CD 37 72A 5 -49,-2.0 -49,-2.0 -2,-0.7 -14,-0.2 -0.675 44.9 -53.6-129.8-174.6 12.2 -8.1 -14.2 87 84 A E - 0 0 59 -16,-1.5 2,-0.4 -2,-0.2 -51,-0.1 -0.347 43.3-132.8 -62.2 136.4 16.0 -8.6 -14.7 88 85 A L + 0 0 66 -53,-0.4 2,-0.3 -2,-0.1 -1,-0.1 -0.801 37.7 171.8 -87.6 132.2 17.4 -11.9 -15.9 89 86 A Y 0 0 73 -2,-0.4 51,-0.0 1,-0.0 -53,-0.0 -1.000 360.0 360.0-148.5 144.1 20.3 -13.0 -13.7 90 87 A T 0 0 139 -2,-0.3 50,-0.3 50,-0.1 -1,-0.0 0.123 360.0 360.0-136.2 360.0 22.7 -15.9 -13.1 91 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 92 89 A G 0 0 54 0, 0.0 48,-2.4 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 168.0 22.7 -18.4 -8.3 93 90 A E B >> -G 139 0C 70 46,-0.2 4,-1.1 47,-0.1 3,-0.6 -0.421 360.0-122.3 -79.3 152.5 21.3 -17.5 -4.8 94 91 A L H 3> S+ 0 0 0 44,-3.2 4,-1.9 41,-1.1 42,-0.2 0.789 114.1 65.7 -58.2 -29.2 23.4 -16.5 -1.8 95 92 A F H 3> S+ 0 0 76 40,-1.0 4,-2.0 43,-0.3 -1,-0.2 0.904 98.2 50.5 -57.2 -46.0 21.7 -19.5 -0.1 96 93 A D H <> S+ 0 0 81 -3,-0.6 4,-1.7 1,-0.2 -1,-0.2 0.823 109.0 52.5 -63.6 -32.1 23.6 -21.9 -2.6 97 94 A E H X S+ 0 0 50 -4,-1.1 4,-2.9 2,-0.2 5,-0.4 0.844 104.7 55.1 -72.5 -35.7 26.8 -20.1 -1.7 98 95 A I H X S+ 0 0 21 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.939 108.5 48.6 -60.9 -47.7 26.2 -20.6 2.1 99 96 A I H < S+ 0 0 92 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.904 115.9 45.3 -54.8 -44.2 25.9 -24.4 1.4 100 97 A K H < S+ 0 0 110 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.943 123.8 28.9 -70.0 -53.1 29.1 -24.3 -0.6 101 98 A R H < S- 0 0 99 -4,-2.9 2,-2.5 1,-0.1 -1,-0.2 0.702 81.7-158.0 -82.6 -22.1 31.4 -22.3 1.6 102 99 A K S < S+ 0 0 140 -4,-2.3 2,-0.3 -5,-0.4 -1,-0.1 -0.294 74.8 20.7 71.1 -53.9 29.8 -23.2 4.9 103 100 A R S S- 0 0 135 -2,-2.5 2,-0.4 -3,-0.1 96,-0.2 -0.947 73.6-138.4-138.4 158.8 31.2 -20.1 6.5 104 101 A F - 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0 0 146 -3,-0.5 -3,-0.0 2,-0.2 0, 0.0 0.459 360.0 -47.1-139.2 -70.9 32.4 -12.6 -9.3 144 144 A C S S+ 0 0 78 -4,-0.1 2,-0.3 1,-0.0 0, 0.0 0.489 86.2 114.2-151.8 -21.1 31.3 -10.2 -6.5 145 145 A D - 0 0 98 -5,-0.2 2,-0.4 -30,-0.0 -2,-0.2 -0.506 40.9-163.4 -82.7 130.1 28.0 -8.4 -7.2 146 146 A I - 0 0 2 -2,-0.3 2,-0.4 -6,-0.1 -6,-0.2 -0.858 5.0-172.9-110.2 142.3 24.8 -9.0 -5.1 147 147 A K E - H 0 139C 12 -8,-1.7 -8,-2.7 -2,-0.4 2,-0.5 -0.990 17.8-139.3-136.7 128.9 21.2 -8.1 -6.1 148 148 A I E -fH 69 138C 1 -80,-2.6 -78,-2.4 -2,-0.4 3,-0.4 -0.756 25.6-149.4 -87.7 125.3 18.1 -8.3 -3.9 149 149 A I + 0 0 19 -12,-2.2 3,-0.2 -2,-0.5 -78,-0.0 -0.508 65.2 14.2 -96.7 160.5 15.0 -9.6 -5.7 150 150 A D S >> S- 0 0 18 1,-0.2 3,-1.9 -2,-0.2 4,-0.5 0.707 75.5-177.6 54.7 27.9 11.3 -9.0 -5.3 151 151 A F T 34 + 0 0 12 -3,-0.4 -1,-0.2 1,-0.3 -21,-0.1 -0.412 69.7 1.9 -65.3 111.2 11.9 -5.9 -3.2 152 152 A G T >4 S+ 0 0 1 -2,-0.5 3,-0.8 -22,-0.2 4,-0.4 0.295 99.0 109.6 98.3 -7.3 8.5 -4.6 -2.1 153 153 A L G X> + 0 0 2 -3,-1.9 4,-2.5 1,-0.2 3,-1.2 0.783 60.7 73.7 -72.0 -28.6 6.4 -7.2 -3.8 154 154 A S G 3< S+ 0 0 4 -4,-0.5 -1,-0.2 -24,-0.4 5,-0.1 0.679 92.1 55.8 -63.1 -21.1 5.3 -9.0 -0.6 155 155 A T G <4 S+ 0 0 42 -3,-0.8 -1,-0.3 -26,-0.2 -2,-0.2 0.762 115.2 39.6 -79.0 -24.5 2.9 -6.1 0.3 156 156 A C T <4 S+ 0 0 3 -3,-1.2 -109,-2.7 -4,-0.4 -108,-0.5 0.844 121.1 35.1 -87.3 -39.6 1.2 -6.6 -3.1 157 157 A F B < S-E 46 0B 0 -4,-2.5 2,-0.3 -111,-0.2 -111,-0.2 -0.940 72.2-124.2-131.0 141.6 1.2 -10.3 -3.4 158 158 A Q - 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0 0 30 -4,-1.2 -41,-0.1 -3,-0.1 14,-0.1 -0.405 62.3-124.9 -71.5 134.4 11.4 -13.1 10.7 174 174 A A >> - 0 0 1 -2,-0.1 4,-1.1 -43,-0.1 3,-0.7 -0.461 20.8-116.2 -74.1 150.3 11.6 -10.2 13.2 175 175 A P H 3> S+ 0 0 2 0, 0.0 4,-1.8 0, 0.0 3,-0.4 0.857 113.8 55.5 -56.3 -39.1 9.7 -10.6 16.6 176 176 A E H 3>>S+ 0 0 2 70,-0.2 5,-2.4 1,-0.2 4,-0.8 0.836 99.8 60.4 -61.4 -36.8 7.4 -7.6 15.8 177 177 A V H <45S+ 0 0 37 -3,-0.7 3,-0.3 1,-0.2 -1,-0.2 0.859 106.3 47.0 -63.5 -35.4 6.3 -9.2 12.5 178 178 A L H <5S+ 0 0 65 -4,-1.1 -1,-0.2 -3,-0.4 -2,-0.2 0.910 108.1 55.0 -67.3 -44.7 5.0 -12.2 14.6 179 179 A R H <5S- 0 0 144 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.597 129.3 -97.9 -67.6 -11.5 3.2 -9.8 17.0 180 180 A G T <5S+ 0 0 62 -4,-0.8 2,-0.3 1,-0.3 -3,-0.2 0.580 89.1 86.7 110.7 12.8 1.5 -8.3 14.0 181 181 A T < + 0 0 93 -5,-2.4 -1,-0.3 2,-0.0 2,-0.3 -0.970 42.1 177.6-138.7 156.8 3.4 -5.2 13.0 182 182 A Y + 0 0 96 -2,-0.3 2,-0.2 -3,-0.1 -53,-0.0 -0.982 6.7 164.8-150.3 153.0 6.4 -4.3 10.8 183 183 A D > - 0 0 58 -2,-0.3 3,-1.5 -52,-0.0 4,-0.3 -0.731 65.0 -62.3-143.4-159.6 8.3 -1.2 9.7 184 184 A E T >> S+ 0 0 78 1,-0.3 3,-1.8 -2,-0.2 4,-0.7 0.806 122.1 74.0 -59.4 -31.1 11.7 -0.8 8.0 185 185 A K H 3> S+ 0 0 25 1,-0.3 4,-1.6 2,-0.2 -1,-0.3 0.631 81.6 68.4 -63.4 -15.3 13.5 -2.2 11.1 186 186 A C H <> S+ 0 0 1 -3,-1.5 4,-2.0 1,-0.2 -1,-0.3 0.766 95.8 55.5 -76.7 -23.1 12.3 -5.8 10.2 187 187 A D H <> S+ 0 0 0 -3,-1.8 4,-2.1 -4,-0.3 -1,-0.2 0.798 106.4 50.7 -73.9 -31.1 14.7 -5.7 7.2 188 188 A V H X S+ 0 0 2 -4,-0.7 4,-1.8 2,-0.2 -2,-0.2 0.873 109.6 50.3 -73.9 -38.2 17.6 -4.9 9.5 189 189 A W H X S+ 0 0 0 -4,-1.6 4,-2.0 2,-0.2 3,-0.2 0.964 111.6 48.1 -59.5 -52.3 16.7 -7.8 11.8 190 190 A S H X S+ 0 0 4 -4,-2.0 4,-2.3 1,-0.3 -2,-0.2 0.907 111.0 49.8 -57.8 -46.2 16.6 -10.2 8.8 191 191 A A H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 -1,-0.3 0.824 107.8 56.3 -60.2 -33.5 19.9 -8.9 7.5 192 192 A G H X S+ 0 0 0 -4,-1.8 4,-2.6 -3,-0.2 -2,-0.2 0.904 106.6 48.3 -63.5 -43.7 21.4 -9.4 11.0 193 193 A V H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.930 112.1 49.7 -61.8 -47.0 20.3 -13.1 10.9 194 194 A I H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.920 110.9 49.7 -55.5 -46.6 21.9 -13.4 7.5 195 195 A L H X S+ 0 0 0 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.918 107.8 53.3 -61.6 -44.0 25.1 -11.8 8.8 196 196 A Y H X S+ 0 0 6 -4,-2.6 4,-1.9 1,-0.2 6,-0.4 0.880 112.1 46.4 -55.3 -40.4 25.1 -14.2 11.7 197 197 A I H X S+ 0 0 12 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.900 105.2 58.9 -71.4 -41.6 24.8 -17.1 9.3 198 198 A L H < S+ 0 0 0 -4,-2.7 -94,-2.8 1,-0.2 -1,-0.2 0.879 115.8 35.6 -53.2 -39.7 27.6 -15.8 6.9 199 199 A L H < S+ 0 0 5 -4,-1.7 -1,-0.2 -96,-0.2 -2,-0.2 0.845 132.6 23.0 -87.1 -38.5 30.1 -15.8 9.8 200 200 A S H < S- 0 0 1 -4,-1.9 -3,-0.2 2,-0.2 -2,-0.2 0.687 86.4-132.3-104.0 -24.5 29.0 -19.0 11.8 201 201 A G S < S+ 0 0 33 -4,-2.5 -4,-0.2 -5,-0.3 -3,-0.1 0.691 77.7 101.5 75.3 21.0 27.2 -21.1 9.2 202 202 A T S S- 0 0 42 -6,-0.4 -1,-0.3 -5,-0.1 -2,-0.2 -0.993 78.0-111.8-141.3 136.1 24.5 -21.4 11.9 203 203 A P - 0 0 33 0, 0.0 3,-0.2 0, 0.0 -9,-0.1 -0.499 14.9-142.5 -66.3 135.0 21.1 -19.8 12.6 204 204 A P S S+ 0 0 3 0, 0.0 2,-0.6 0, 0.0 19,-0.3 0.873 100.8 42.6 -60.8 -37.6 20.9 -17.5 15.6 205 205 A F S S+ 0 0 1 -34,-0.2 2,-0.2 17,-0.1 8,-0.1 -0.948 88.8 176.6-116.0 111.0 17.4 -18.9 16.1 206 206 A Y + 0 0 130 -2,-0.6 2,-0.2 -3,-0.2 10,-0.2 -0.565 13.6 139.9-118.3 170.3 17.3 -22.6 15.6 207 207 A G - 0 0 23 -2,-0.2 6,-0.1 1,-0.1 -2,-0.0 -0.763 52.9-109.3 159.7 153.8 15.1 -25.7 15.7 208 208 A K S S+ 0 0 104 -2,-0.2 2,-0.3 5,-0.0 -1,-0.1 0.499 101.0 22.1 -79.6 -6.3 14.0 -29.0 14.1 209 209 A N S > S- 0 0 70 1,-0.1 4,-1.8 -42,-0.1 5,-0.2 -0.959 87.9 -96.1-152.0 170.0 10.7 -27.5 13.0 210 210 A E H > S+ 0 0 63 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.892 118.7 52.6 -54.0 -47.7 8.8 -24.3 12.3 211 211 A Y H > S+ 0 0 148 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.920 108.4 48.6 -57.3 -50.0 7.3 -24.1 15.8 212 212 A D H > S+ 0 0 58 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.869 111.7 49.2 -62.2 -42.0 10.6 -24.5 17.7 213 213 A I H X S+ 0 0 0 -4,-1.8 4,-2.1 1,-0.2 3,-0.5 0.937 110.3 50.9 -60.3 -48.6 12.4 -21.8 15.6 214 214 A L H X S+ 0 0 36 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.788 104.9 57.0 -65.2 -30.4 9.5 -19.3 16.0 215 215 A K H X S+ 0 0 74 -4,-1.7 4,-1.1 2,-0.2 -1,-0.2 0.850 109.0 45.9 -67.0 -37.1 9.5 -19.8 19.8 216 216 A R H X>S+ 0 0 94 -4,-1.3 4,-1.5 -3,-0.5 5,-0.7 0.862 111.4 51.2 -74.1 -38.2 13.2 -18.8 20.0 217 217 A V H <5S+ 0 0 0 -4,-2.1 3,-0.2 1,-0.2 -2,-0.2 0.936 106.0 57.5 -58.4 -46.8 12.6 -15.8 17.7 218 218 A E H <5S+ 0 0 102 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.829 108.8 44.0 -53.1 -40.6 9.8 -14.8 20.0 219 219 A T H <5S- 0 0 87 -4,-1.1 -1,-0.3 2,-0.1 -2,-0.2 0.783 97.1-144.3 -77.0 -29.5 12.1 -14.6 23.0 220 220 A G T <5 + 0 0 13 -4,-1.5 2,-0.5 1,-0.2 -3,-0.2 0.549 49.5 141.4 76.3 8.7 14.8 -12.8 21.0 221 221 A K < + 0 0 114 -5,-0.7 2,-0.3 25,-0.0 -1,-0.2 -0.721 16.1 150.8 -93.0 128.4 17.5 -14.7 22.9 222 222 A Y - 0 0 59 -2,-0.5 2,-0.3 -3,-0.1 -17,-0.1 -0.903 26.2-137.9-145.7 170.4 20.6 -15.8 21.1 223 223 A A - 0 0 39 -2,-0.3 3,-0.2 -19,-0.3 -2,-0.0 -0.949 22.7-149.7-138.6 152.8 24.3 -16.5 21.9 224 224 A F + 0 0 36 -2,-0.3 5,-0.1 1,-0.1 13,-0.0 -0.302 69.3 116.7-103.2 42.7 27.8 -16.0 20.6 225 225 A D + 0 0 142 4,-0.1 -1,-0.1 3,-0.1 5,-0.1 0.674 36.3 104.0 -91.4 -19.7 28.7 -19.2 22.5 226 226 A L S > S- 0 0 60 -3,-0.2 3,-3.2 1,-0.1 4,-0.4 -0.416 80.2-120.7 -66.9 137.4 29.7 -21.5 19.6 227 227 A P G > S+ 0 0 106 0, 0.0 3,-2.3 0, 0.0 4,-0.4 0.829 111.2 72.0 -46.4 -39.3 33.5 -22.0 19.3 228 228 A Q G 3 S+ 0 0 58 1,-0.3 3,-0.3 2,-0.2 -2,-0.1 0.683 95.5 52.5 -46.2 -26.9 33.2 -20.6 15.8 229 229 A W G X S+ 0 0 0 -3,-3.2 3,-1.8 1,-0.2 -1,-0.3 0.640 84.0 89.4 -86.4 -15.7 32.6 -17.2 17.4 230 230 A R T < S+ 0 0 219 -3,-2.3 -1,-0.2 -4,-0.4 -2,-0.2 0.792 96.9 32.8 -55.6 -36.3 35.8 -17.3 19.6 231 231 A T T 3 S+ 0 0 128 -4,-0.4 2,-0.3 -3,-0.3 -1,-0.3 0.080 92.6 109.8-112.7 22.3 38.0 -15.7 17.0 232 232 A I S < S- 0 0 19 -3,-1.8 5,-0.0 1,-0.1 -3,-0.0 -0.784 77.3 -95.0 -95.4 145.1 35.5 -13.3 15.3 233 233 A S > - 0 0 31 -2,-0.3 4,-1.8 1,-0.1 3,-0.3 -0.159 16.3-126.5 -66.0 148.8 36.0 -9.6 16.0 234 234 A D H > S+ 0 0 125 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.865 111.9 58.7 -55.5 -38.1 34.2 -7.6 18.8 235 235 A D H > S+ 0 0 80 2,-0.2 4,-2.3 1,-0.2 27,-0.3 0.864 103.9 49.0 -60.6 -42.2 33.1 -5.2 16.0 236 236 A A H > S+ 0 0 0 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.898 113.2 47.3 -65.4 -42.6 31.3 -7.9 14.0 237 237 A K H X S+ 0 0 30 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.869 109.9 54.4 -65.7 -38.2 29.5 -9.0 17.2 238 238 A D H X S+ 0 0 53 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.933 108.0 49.0 -60.4 -48.6 28.7 -5.4 18.0 239 239 A L H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 3,-0.2 0.959 112.5 46.7 -55.3 -55.9 27.0 -5.0 14.6 240 240 A I H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.865 110.4 54.6 -55.2 -40.7 25.0 -8.1 14.9 241 241 A R H < S+ 0 0 124 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.892 110.3 45.3 -59.5 -43.5 24.0 -7.1 18.5 242 242 A K H >< S+ 0 0 81 -4,-2.2 10,-1.5 -3,-0.2 3,-0.7 0.834 116.0 46.7 -70.6 -33.6 22.7 -3.7 17.3 243 243 A M H 3< S+ 0 0 0 -4,-2.1 -51,-0.2 1,-0.2 -2,-0.2 0.778 112.8 48.3 -80.2 -31.1 20.8 -5.4 14.4 244 244 A L T 3< S+ 0 0 5 -4,-2.5 -1,-0.2 -5,-0.2 2,-0.2 0.048 79.5 144.0 -97.3 26.1 19.3 -8.1 16.5 245 245 A T < - 0 0 39 -3,-0.7 6,-0.2 1,-0.1 -3,-0.1 -0.467 53.1-131.6 -62.2 132.2 18.1 -5.6 19.1 246 246 A F S S+ 0 0 66 -2,-0.2 -70,-0.2 4,-0.1 -1,-0.1 0.949 88.2 59.1 -57.2 -61.0 14.8 -6.8 20.4 247 247 A H S >> S- 0 0 95 1,-0.1 3,-1.2 -72,-0.1 4,-1.1 -0.591 75.8-143.9 -76.6 124.6 12.7 -3.6 20.2 248 248 A P T 34 S+ 0 0 24 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 0.857 100.9 56.1 -55.7 -40.1 12.5 -2.2 16.6 249 249 A S T 34 S+ 0 0 99 1,-0.2 -3,-0.0 -3,-0.0 -2,-0.0 0.764 112.2 42.6 -62.2 -28.4 12.6 1.4 17.9 250 250 A L T <4 S+ 0 0 126 -3,-1.2 -1,-0.2 2,-0.1 2,-0.1 0.547 96.3 102.9 -94.1 -11.4 15.9 0.6 19.7 251 251 A R S < S- 0 0 3 -4,-1.1 -8,-0.2 -3,-0.5 -9,-0.1 -0.421 81.5-103.2 -71.8 148.7 17.2 -1.3 16.7 252 252 A I - 0 0 18 -10,-1.5 -1,-0.1 -13,-0.1 -64,-0.1 -0.321 34.6-115.3 -73.8 151.1 19.8 0.3 14.4 253 253 A T > - 0 0 48 1,-0.1 4,-1.2 -65,-0.0 -1,-0.1 -0.293 25.3-108.0 -77.8 170.0 18.8 1.8 11.0 254 254 A A H > S+ 0 0 6 2,-0.2 4,-2.2 1,-0.2 -133,-0.2 0.819 121.2 53.9 -67.5 -32.9 20.0 0.5 7.7 255 255 A T H > S+ 0 0 63 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.870 105.6 53.5 -67.5 -38.5 22.2 3.6 7.2 256 256 A Q H 4 S+ 0 0 99 2,-0.2 -2,-0.2 1,-0.2 -1,-0.2 0.803 108.9 49.9 -67.2 -30.7 23.8 2.9 10.6 257 257 A C H >< S+ 0 0 1 -4,-1.2 3,-1.6 2,-0.2 6,-0.3 0.947 108.2 51.7 -65.9 -51.4 24.6 -0.7 9.3 258 258 A L H 3< S+ 0 0 39 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.736 117.6 40.7 -57.2 -23.6 26.2 0.7 6.2 259 259 A E T 3< S+ 0 0 115 -4,-1.1 -1,-0.3 -5,-0.1 -2,-0.2 0.274 80.8 128.9-115.7 9.4 28.3 3.0 8.4 260 260 A H S X> S- 0 0 12 -3,-1.6 4,-1.6 -4,-0.2 3,-1.3 -0.435 70.6-116.3 -64.3 138.2 29.3 0.6 11.2 261 261 A P H 3> S+ 0 0 77 0, 0.0 4,-1.4 0, 0.0 -1,-0.1 0.728 114.6 61.0 -47.1 -28.0 33.1 0.5 11.9 262 262 A W H 3> S+ 0 0 2 -27,-0.3 4,-0.7 2,-0.2 -26,-0.1 0.877 105.1 45.0 -69.4 -41.5 33.0 -3.2 10.9 263 263 A I H <4 S+ 0 0 2 -3,-1.3 3,-0.5 -6,-0.3 -1,-0.2 0.854 112.4 52.8 -67.2 -37.2 31.8 -2.4 7.3 264 264 A Q H >< S+ 0 0 117 -4,-1.6 3,-0.8 1,-0.2 -2,-0.2 0.799 100.2 61.7 -71.1 -30.8 34.3 0.4 7.0 265 265 A K H 3< S+ 0 0 69 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.784 111.0 38.3 -66.1 -28.9 37.3 -1.8 8.0 266 266 A Y T 3< 0 0 71 -4,-0.7 -1,-0.2 -3,-0.5 -2,-0.2 0.231 360.0 360.0-109.2 15.1 36.8 -4.1 5.0 267 267 A S < 0 0 86 -3,-0.8 -3,-0.1 -4,-0.1 -2,-0.1 0.415 360.0 360.0-111.5 360.0 35.8 -1.4 2.4