==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSPORT PROTEIN 31-JAN-12 4DIN . COMPND 2 MOLECULE: CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT A . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR R.ILOUZ,J.BUBIS,J.WU,Y.Y.YIM,M.S.DEAL,A.P.KORNEV,Y.MA,D.K.BL . 687 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33991.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 402 58.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 99 14.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 3 0.4 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 . 2 0.3 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 . 45 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 74 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 157 22.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 0.9 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 3 2 2 1 3 0 2 2 0 0 0 0 1 0 1 0 1 0 0 0 0 1 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 . 12 3 0 5 1 2 2 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 5 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 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 9 A G 0 0 141 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 94.7 77.6 8.3 13.8 2 10 A S - 0 0 62 1,-0.1 0, 0.0 3,-0.1 0, 0.0 -0.966 360.0-164.6-135.0 150.8 74.7 10.6 14.6 3 11 A E S S- 0 0 102 -2,-0.3 -1,-0.1 0, 0.0 0, 0.0 0.630 85.7 -47.6-104.2 -21.8 71.1 10.1 15.4 4 12 A Q S > S+ 0 0 153 0, 0.0 3,-1.4 0, 0.0 4,-0.4 0.164 118.2 90.9 178.8 -32.0 70.1 13.8 15.0 5 13 A E T >> + 0 0 115 1,-0.3 3,-1.5 2,-0.2 4,-1.3 0.797 64.1 89.0 -53.4 -34.9 72.6 15.9 16.8 6 14 A S H 3> S+ 0 0 72 1,-0.3 4,-1.2 2,-0.2 -1,-0.3 0.759 88.3 50.5 -34.4 -39.3 74.8 16.2 13.8 7 15 A V H <> S+ 0 0 66 -3,-1.4 4,-2.3 2,-0.2 -1,-0.3 0.888 99.3 62.3 -71.8 -40.8 72.8 19.3 12.7 8 16 A K H <> S+ 0 0 59 -3,-1.5 4,-1.2 -4,-0.4 -1,-0.2 0.852 108.6 44.3 -53.3 -36.4 73.1 21.1 16.1 9 17 A E H X S+ 0 0 49 -4,-1.3 4,-2.3 2,-0.2 5,-0.3 0.845 106.2 61.8 -76.2 -35.5 76.8 21.2 15.6 10 18 A F H X S+ 0 0 76 -4,-1.2 4,-3.4 -5,-0.3 5,-0.3 0.935 103.0 50.3 -53.8 -50.7 76.3 22.3 12.0 11 19 A L H X S+ 0 0 51 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.901 108.8 51.5 -55.7 -47.0 74.6 25.4 13.1 12 20 A A H X S+ 0 0 69 -4,-1.2 4,-1.5 -5,-0.2 -1,-0.2 0.936 118.6 35.3 -57.9 -51.2 77.4 26.3 15.6 13 21 A K H X S+ 0 0 70 -4,-2.3 4,-1.2 1,-0.2 -2,-0.2 0.907 116.2 54.0 -71.0 -43.7 80.2 26.0 13.0 14 22 A A H X S+ 0 0 26 -4,-3.4 4,-0.8 -5,-0.3 -1,-0.2 0.744 108.5 52.6 -63.5 -24.0 78.2 27.3 10.1 15 23 A K H >X S+ 0 0 57 -4,-1.6 4,-2.1 -5,-0.3 3,-0.6 0.929 98.9 58.9 -78.4 -48.1 77.4 30.4 12.2 16 24 A E H 3X S+ 0 0 55 -4,-1.5 4,-1.6 1,-0.3 -2,-0.2 0.861 102.0 57.8 -48.6 -39.7 80.9 31.4 13.2 17 25 A D H 3X S+ 0 0 53 -4,-1.2 4,-1.2 1,-0.2 -1,-0.3 0.931 106.0 48.6 -57.0 -47.7 81.7 31.7 9.4 18 26 A F H X S+ 0 0 56 -4,-2.1 3,-2.3 1,-0.2 4,-2.1 0.916 99.3 50.8 -42.7 -67.4 80.2 36.2 12.1 20 28 A K H 3X S+ 0 0 159 -4,-1.6 4,-1.0 1,-0.3 -1,-0.2 0.877 112.2 47.7 -40.5 -52.2 83.7 37.1 10.7 21 29 A K H 3< S+ 0 0 70 -4,-1.2 -1,-0.3 68,-0.2 -2,-0.2 0.684 111.8 53.2 -67.0 -17.6 82.2 38.4 7.5 22 30 A W H << S+ 0 0 41 -3,-2.3 -2,-0.2 -4,-1.1 -1,-0.2 0.951 106.2 47.1 -81.6 -55.8 79.7 40.4 9.5 23 31 A E H < S+ 0 0 122 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.731 130.1 30.2 -56.8 -19.3 82.1 42.3 11.8 24 32 A T S < S- 0 0 88 -4,-1.0 -1,-0.3 -5,-0.4 -2,-0.0 -0.769 77.3-171.3-147.8 97.6 83.9 42.9 8.5 25 33 A P - 0 0 55 0, 0.0 -3,-0.1 0, 0.0 60,-0.1 0.331 23.4-123.1 -65.8-156.9 82.1 43.2 5.1 26 34 A S + 0 0 67 2,-0.1 3,-0.1 58,-0.0 59,-0.0 0.655 39.9 159.2-115.9 -80.5 83.8 43.4 1.7 27 35 A Q + 0 0 85 1,-0.2 74,-0.2 57,-0.0 75,-0.1 -0.155 46.9 43.0 80.9-173.9 83.0 46.5 -0.4 28 36 A N + 0 0 108 314,-0.3 73,-0.5 1,-0.2 -1,-0.2 -0.088 53.0 145.5 38.5-120.5 84.8 48.2 -3.3 29 37 A T S S- 0 0 63 -3,-0.1 2,-0.3 71,-0.1 -1,-0.2 0.152 72.0 -46.1 81.3 -18.4 85.9 45.3 -5.4 30 38 A A - 0 0 29 71,-0.2 73,-0.4 73,-0.1 2,-0.2 -0.997 54.8-101.1 158.7-162.6 85.4 47.3 -8.6 31 39 A Q - 0 0 92 -2,-0.3 73,-0.1 71,-0.1 3,-0.1 -0.604 35.0-101.7-139.7-161.1 83.2 49.6 -10.7 32 40 A L S > S+ 0 0 17 -2,-0.2 3,-1.9 1,-0.1 72,-0.0 0.745 96.4 85.0-106.1 -30.3 80.8 49.2 -13.7 33 41 A D T 3 S+ 0 0 126 1,-0.3 -1,-0.1 3,-0.0 0, 0.0 0.615 88.6 60.6 -49.4 -12.5 82.9 50.4 -16.7 34 42 A Q T 3 S+ 0 0 61 -3,-0.1 21,-2.3 21,-0.0 22,-0.4 -0.056 98.0 76.2-105.3 30.4 84.3 46.9 -16.9 35 43 A F E < -A 54 0A 11 -3,-1.9 2,-0.5 19,-0.2 19,-0.2 -1.000 65.5-143.9-145.0 143.9 80.8 45.4 -17.4 36 44 A D E -A 53 0A 65 17,-0.7 17,-1.3 -2,-0.3 2,-1.2 -0.908 16.8-137.6-108.8 130.7 78.3 45.0 -20.3 37 45 A R E +A 52 0A 77 -2,-0.5 15,-0.2 15,-0.2 3,-0.1 -0.721 26.3 175.7 -90.3 94.8 74.6 45.2 -19.6 38 46 A I E - 0 0 87 13,-1.8 2,-0.3 -2,-1.2 -1,-0.2 0.974 57.7 -33.0 -59.0 -87.2 73.1 42.5 -21.8 39 47 A K E -A 51 0A 36 12,-0.6 12,-3.1 285,-0.0 2,-0.5 -0.930 67.5 -90.5-137.8 161.0 69.4 42.5 -20.9 40 48 A T E -A 50 0A 0 -2,-0.3 282,-0.5 282,-0.3 10,-0.3 -0.617 25.1-164.2 -76.9 118.4 67.2 43.2 -17.8 41 49 A L E - 0 0 6 8,-1.7 279,-0.4 -2,-0.5 2,-0.2 0.658 67.7 -53.1 -74.0 -16.2 66.7 40.0 -15.8 42 50 A G E -A 49 0A 9 7,-0.9 7,-3.1 277,-0.1 -1,-0.3 -0.745 50.2-121.5 153.3 159.2 63.9 41.8 -14.0 43 51 A T E -A 48 0A 69 5,-0.3 2,-0.3 -2,-0.2 5,-0.3 -0.546 20.8-156.2-115.6-177.3 62.9 44.9 -12.1 44 52 A G - 0 0 41 3,-2.0 363,-0.1 2,-0.2 -2,-0.0 -0.957 43.9 -79.8-154.6 171.2 61.4 45.6 -8.6 45 53 A S S S+ 0 0 62 -2,-0.3 3,-0.1 363,-0.2 362,-0.1 0.786 128.4 8.1 -44.6 -29.4 59.5 48.0 -6.5 46 54 A F S S+ 0 0 47 1,-0.1 -2,-0.2 363,-0.0 21,-0.1 0.627 129.9 1.1-116.2 -86.0 62.8 49.8 -6.2 47 55 A G - 0 0 11 -4,-0.1 -3,-2.0 19,-0.1 2,-0.3 0.145 64.3-128.0 -91.0-151.8 65.8 48.7 -8.3 48 56 A R E -AB 43 65A 63 17,-1.5 17,-2.5 -5,-0.3 2,-0.6 -0.984 9.3-123.8-160.3 157.1 66.3 46.0 -11.0 49 57 A V E -AB 42 64A 30 -7,-3.1 -8,-1.7 -2,-0.3 -7,-0.9 -0.935 26.9-171.0-114.0 116.7 68.6 43.1 -11.8 50 58 A M E -AB 40 63A 6 13,-1.7 13,-0.9 -2,-0.6 2,-0.6 -0.789 25.6-119.4-106.7 149.3 70.4 43.1 -15.2 51 59 A L E -AB 39 62A 1 -12,-3.1 -13,-1.8 -2,-0.3 -12,-0.6 -0.768 38.2-178.9 -87.6 117.6 72.4 40.3 -16.8 52 60 A V E -AB 37 61A 0 9,-1.7 9,-2.1 -2,-0.6 2,-0.8 -0.934 24.7-140.1-122.5 144.5 75.9 41.5 -17.4 53 61 A K E -A 36 0A 95 -17,-1.3 -17,-0.7 -2,-0.4 7,-0.2 -0.873 33.8-114.9-105.1 104.4 78.9 39.7 -19.0 54 62 A H E > -A 35 0A 31 -2,-0.8 4,-0.6 5,-0.4 -19,-0.2 -0.003 21.1-139.4 -34.9 130.3 82.1 40.5 -17.1 55 63 A K T 4 S+ 0 0 123 -21,-2.3 -20,-0.1 2,-0.1 -1,-0.1 0.956 93.9 30.4 -63.7 -52.5 84.4 42.5 -19.6 56 64 A E T 4 S+ 0 0 177 -22,-0.4 -21,-0.0 1,-0.1 -1,-0.0 0.993 130.8 31.1 -69.2 -77.9 87.6 40.8 -18.6 57 65 A S T 4 S- 0 0 69 1,-0.1 -1,-0.1 3,-0.0 -2,-0.1 0.707 92.6-140.8 -55.9 -23.0 86.7 37.3 -17.5 58 66 A G < + 0 0 25 -4,-0.6 -1,-0.1 1,-0.1 -3,-0.1 0.557 53.1 145.1 70.6 5.1 83.8 37.3 -20.0 59 67 A N - 0 0 67 -6,-0.1 2,-0.4 1,-0.1 -5,-0.4 0.184 48.5-111.5 -61.7-172.7 81.9 35.5 -17.2 60 68 A H + 0 0 51 -7,-0.2 54,-0.5 -3,-0.1 2,-0.3 -0.995 36.5 164.9-132.6 133.7 78.2 35.9 -16.5 61 69 A Y E -BC 52 113A 20 -9,-2.1 -9,-1.7 -2,-0.4 2,-0.5 -0.934 36.4-129.7-142.0 164.5 76.6 37.4 -13.4 62 70 A A E -BC 51 112A 9 50,-2.9 50,-0.5 -2,-0.3 -11,-0.2 -0.722 36.7-175.0-117.6 78.5 73.2 38.8 -12.3 63 71 A M E -BC 50 111A 2 -13,-0.9 -13,-1.7 -2,-0.5 2,-0.5 -0.427 15.1-144.6 -77.3 148.4 74.0 42.2 -10.9 64 72 A K E -BC 49 110A 25 46,-0.7 46,-1.9 -15,-0.3 2,-0.3 -0.959 12.2-156.3-116.0 127.0 71.4 44.4 -9.2 65 73 A I E -BC 48 109A 18 -17,-2.5 -17,-1.5 -2,-0.5 2,-0.3 -0.801 9.5-175.0-105.3 145.2 71.5 48.2 -9.6 66 74 A L E - C 0 108A 12 42,-1.1 42,-1.8 -2,-0.3 -19,-0.1 -0.878 26.1-127.3-143.3 107.3 70.0 50.7 -7.2 67 75 A D E >> - C 0 107A 54 -2,-0.3 4,-2.1 40,-0.2 3,-0.7 -0.272 14.3-147.5 -53.8 126.4 70.0 54.5 -7.9 68 76 A K H 3> S+ 0 0 2 38,-1.8 4,-1.8 1,-0.2 5,-0.2 0.943 97.5 51.6 -63.0 -50.4 71.6 56.3 -4.9 69 77 A Q H 34 S+ 0 0 101 37,-0.9 4,-0.3 1,-0.2 -1,-0.2 0.586 111.3 53.0 -64.7 -8.2 69.4 59.5 -5.3 70 78 A K H X> S+ 0 0 86 -3,-0.7 4,-2.9 2,-0.2 3,-0.9 0.902 103.9 49.5 -90.8 -53.4 66.4 57.1 -5.3 71 79 A V H 3<>S+ 0 0 3 -4,-2.1 5,-1.8 1,-0.3 6,-0.5 0.864 109.2 56.0 -53.3 -37.8 67.0 55.1 -2.2 72 80 A V T 3<5S+ 0 0 46 -4,-1.8 -1,-0.3 1,-0.2 3,-0.2 0.842 112.1 42.4 -63.6 -33.5 67.5 58.4 -0.3 73 81 A K T <45S+ 0 0 84 -3,-0.9 -2,-0.2 -4,-0.3 -1,-0.2 0.846 113.9 49.4 -80.9 -36.7 64.1 59.5 -1.6 74 82 A L T <5S- 0 0 63 -4,-2.9 -1,-0.2 337,-0.0 -2,-0.2 0.387 103.8-135.3 -82.3 4.0 62.4 56.1 -0.9 75 83 A K T 5 + 0 0 103 -4,-0.3 338,-0.4 -5,-0.3 -3,-0.2 0.846 67.7 128.0 41.6 44.8 64.0 56.3 2.6 76 84 A Q >< + 0 0 6 -5,-1.8 4,-2.5 1,-0.1 5,-0.2 0.139 23.5 121.7-110.5 15.5 65.0 52.7 2.2 77 85 A I H > S+ 0 0 29 -6,-0.5 4,-2.6 2,-0.2 5,-0.3 0.916 71.4 51.8 -41.7 -63.1 68.7 53.4 3.1 78 86 A E H > S+ 0 0 79 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.922 110.6 46.7 -39.9 -68.1 68.7 51.1 6.1 79 87 A H H > S+ 0 0 3 1,-0.2 4,-1.7 2,-0.2 3,-0.3 0.861 113.0 51.8 -44.1 -46.1 67.3 48.1 4.1 80 88 A T H X S+ 0 0 8 -4,-2.5 4,-1.0 1,-0.2 3,-0.5 0.963 109.2 46.7 -58.5 -57.2 69.8 48.8 1.3 81 89 A L H X S+ 0 0 18 -4,-2.6 4,-1.1 1,-0.2 -1,-0.2 0.692 109.8 58.5 -60.6 -19.2 72.9 48.9 3.5 82 90 A N H X S+ 0 0 36 -4,-1.6 4,-2.0 -5,-0.3 -1,-0.2 0.885 94.9 61.7 -78.9 -40.4 71.7 45.7 5.2 83 91 A E H X S+ 0 0 5 -4,-1.7 4,-3.4 -3,-0.5 5,-0.3 0.944 108.0 42.1 -49.1 -58.9 71.6 43.6 2.0 84 92 A K H X S+ 0 0 5 -4,-1.0 4,-2.0 1,-0.2 5,-0.2 0.967 112.3 50.7 -54.2 -63.2 75.3 43.9 1.3 85 93 A R H < S+ 0 0 47 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.814 120.2 41.4 -46.9 -33.2 76.6 43.5 4.9 86 94 A I H >X S+ 0 0 2 -4,-2.0 4,-1.9 -3,-0.2 3,-1.3 0.930 112.1 46.9 -82.4 -51.2 74.3 40.4 4.9 87 95 A L H 3< S+ 0 0 15 -4,-3.4 3,-0.3 1,-0.3 11,-0.3 0.935 111.8 51.6 -58.4 -50.3 74.8 38.7 1.5 88 96 A Q T 3< S+ 0 0 26 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.1 0.470 116.0 44.9 -68.3 0.4 78.6 38.9 1.6 89 97 A A T <4 S+ 0 0 1 -3,-1.3 2,-0.3 -5,-0.2 -68,-0.2 0.653 100.0 75.2-114.8 -26.6 78.4 37.3 5.1 90 98 A V < - 0 0 20 -4,-1.9 2,-0.3 -3,-0.3 -75,-0.1 -0.637 51.5-175.4 -94.0 149.2 75.9 34.4 4.6 91 99 A N + 0 0 111 -2,-0.3 -73,-0.1 -77,-0.2 5,-0.1 -0.886 17.6 145.3-146.8 110.9 76.5 31.1 2.9 92 100 A F > - 0 0 16 -2,-0.3 3,-1.6 3,-0.3 -2,-0.0 -0.995 52.8-117.5-145.5 147.9 73.9 28.4 2.3 93 101 A P T 3 S+ 0 0 37 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 0.865 115.6 45.7 -50.6 -43.3 73.2 25.9 -0.5 94 102 A F T 3 S+ 0 0 0 47,-0.1 80,-1.9 79,-0.1 2,-0.4 -0.157 96.9 94.2 -96.6 39.2 69.8 27.5 -1.3 95 103 A L B < S-f 174 0B 8 -3,-1.6 -3,-0.3 78,-0.2 80,-0.1 -0.965 79.4-117.6-136.4 119.4 71.1 31.1 -1.3 96 104 A V - 0 0 14 78,-1.4 2,-0.4 -2,-0.4 -2,-0.1 -0.295 35.1-125.0 -54.0 123.5 72.3 33.0 -4.4 97 105 A K - 0 0 54 1,-0.1 16,-2.7 -6,-0.0 2,-0.6 -0.595 15.6-135.0 -77.7 127.9 76.0 33.8 -3.9 98 106 A L B -D 112 0A 24 -2,-0.4 14,-0.3 -11,-0.3 13,-0.1 -0.735 18.3-170.0 -85.4 119.8 76.8 37.5 -4.2 99 107 A E - 0 0 75 12,-0.7 2,-0.3 -2,-0.6 13,-0.2 0.996 58.7 -14.2 -72.1 -72.1 79.9 38.0 -6.3 100 108 A F - 0 0 52 11,-2.2 2,-0.3 -74,-0.0 11,-0.3 -0.838 53.3-158.1-132.5 169.7 80.9 41.7 -5.9 101 109 A S + 0 0 0 -73,-0.5 2,-0.3 -2,-0.3 9,-0.2 -0.988 27.0 127.0-150.6 139.6 79.4 45.0 -4.6 102 110 A F E -E 109 0A 3 7,-2.7 7,-3.1 -2,-0.3 2,-0.3 -0.905 31.3-137.4-167.1-166.5 80.3 48.6 -5.3 103 111 A K E -E 108 0A 48 -73,-0.4 5,-0.2 5,-0.3 -73,-0.1 -0.972 7.9-172.2-164.0 165.7 79.1 52.1 -6.3 104 112 A D - 0 0 30 3,-2.3 227,-0.1 -2,-0.3 4,-0.0 0.074 58.5 -51.9-131.4-116.8 80.1 55.1 -8.4 105 113 A N S S+ 0 0 52 225,-0.2 229,-3.6 228,-0.1 226,-0.1 0.698 128.3 25.8-107.3 -28.2 78.6 58.6 -8.8 106 114 A S S S- 0 0 3 224,-0.2 -38,-1.8 1,-0.2 -37,-0.9 0.807 123.7 -12.5-104.9 -41.0 74.9 57.9 -9.4 107 115 A N E -C 67 0A 9 -40,-0.3 -3,-2.3 -39,-0.2 -40,-0.2 -0.752 62.5 -99.4-146.2-168.3 74.1 54.5 -7.9 108 116 A L E -CE 66 103A 4 -42,-1.8 -42,-1.1 -5,-0.2 2,-0.3 -0.584 24.5-143.9-114.6 178.0 75.4 51.3 -6.3 109 117 A Y E -CE 65 102A 2 -7,-3.1 -7,-2.7 -2,-0.2 -44,-0.2 -0.988 15.1-177.0-150.0 137.4 75.9 47.8 -7.7 110 118 A M E -C 64 0A 8 -46,-1.9 -46,-0.7 -2,-0.3 2,-0.3 -0.586 15.9-170.6-134.8 72.7 75.5 44.2 -6.2 111 119 A V E +C 63 0A 1 -48,-0.3 -11,-2.2 -11,-0.3 -12,-0.7 -0.484 13.0 172.9 -68.5 123.9 76.6 41.7 -8.9 112 120 A M E -CD 62 98A 12 -50,-0.5 -50,-2.9 -2,-0.3 -14,-0.2 -0.666 40.9 -69.4-122.2 177.5 75.8 38.1 -7.9 113 121 A E E -C 61 0A 96 -16,-2.7 2,-0.5 -52,-0.2 -1,-0.2 -0.229 56.0-111.9 -63.5 161.1 76.0 34.8 -9.6 114 122 A Y - 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0 0 4 -48,-1.7 -49,-0.2 -2,-0.2 6,-0.2 -0.902 29.6-164.2-105.0 116.2 65.5 27.4 -10.0 167 175 A D - 0 0 12 -2,-0.6 -1,-0.1 -50,-0.1 6,-0.1 0.514 45.2 -69.5 -70.8-138.2 69.2 26.7 -10.3 168 176 A Q S S+ 0 0 109 1,-0.1 142,-0.1 2,-0.1 -2,-0.0 0.936 129.6 48.8 -86.4 -57.2 70.7 23.8 -12.3 169 177 A Q S S- 0 0 96 138,-0.1 135,-0.4 1,-0.1 -1,-0.1 0.447 123.4-100.9 -65.2 2.9 69.7 20.7 -10.4 170 178 A G S S+ 0 0 0 1,-0.1 136,-0.4 135,-0.1 -1,-0.1 0.869 81.5 129.2 79.5 38.3 66.2 22.2 -10.3 171 179 A Y - 0 0 3 133,-0.1 2,-0.4 134,-0.1 -4,-0.1 -0.061 58.2 -84.4-103.7-154.6 66.3 23.6 -6.8 172 180 A I - 0 0 2 -6,-0.2 2,-0.4 -34,-0.1 -6,-0.2 -0.954 27.0-170.8-124.8 141.8 65.6 26.9 -5.2 173 181 A Q E - H 0 165B 20 -8,-1.7 -8,-1.4 -2,-0.4 2,-0.3 -0.900 17.8-143.5-134.0 103.8 67.8 30.0 -4.7 174 182 A V E +fH 95 164B 9 -80,-1.9 -78,-1.4 -2,-0.4 -10,-0.2 -0.487 30.8 168.6 -68.7 127.0 66.5 32.8 -2.5 175 183 A T + 0 0 22 -12,-2.7 -78,-0.0 -2,-0.3 -1,-0.0 -0.662 35.0 54.3-127.8-176.3 67.5 36.2 -3.9 176 184 A D - 0 0 30 -2,-0.2 3,-0.2 1,-0.1 -1,-0.2 0.918 43.8-171.3 51.2 102.0 66.7 39.9 -3.3 177 185 A F > + 0 0 12 1,-0.2 3,-2.8 2,-0.1 -1,-0.1 -0.084 36.8 137.9-109.7 31.0 67.2 40.9 0.3 178 186 A G T 3 S+ 0 0 11 1,-0.3 -1,-0.2 -20,-0.1 -95,-0.1 0.768 83.0 31.1 -47.1 -31.2 65.6 44.3 -0.1 179 187 A F T 3 S+ 0 0 2 -3,-0.2 -1,-0.3 -23,-0.1 2,-0.1 0.007 91.7 129.9-118.9 27.2 63.9 43.8 3.2 180 188 A A < + 0 0 3 -3,-2.8 2,-0.3 -101,-0.2 -24,-0.2 -0.473 28.3 164.3 -79.8 153.8 66.5 41.6 5.0 181 189 A K B -I 155 0C 44 -26,-1.2 2,-1.2 -2,-0.1 -26,-1.0 -0.939 43.7-116.8-170.8 146.3 67.6 42.6 8.5 182 190 A R + 0 0 62 -2,-0.3 2,-0.6 -28,-0.2 -28,-0.3 -0.734 42.1 178.1 -89.0 93.0 69.5 41.3 11.6 183 191 A V - 0 0 1 -2,-1.2 2,-0.7 -30,-0.3 26,-0.1 -0.878 20.8-167.6-104.4 121.3 66.8 41.4 14.2 184 192 A K S S- 0 0 109 -2,-0.6 2,-0.3 2,-0.2 -30,-0.1 -0.473 80.0 -28.2-101.8 59.6 67.6 40.2 17.7 185 193 A G S S+ 0 0 12 -2,-0.7 24,-0.3 -32,-0.1 2,-0.3 -0.779 120.3 2.0 139.8 -93.7 64.0 40.1 19.0 186 194 A R - 0 0 63 -2,-0.3 2,-0.3 22,-0.1 -2,-0.2 -0.840 52.8-179.7-127.8 165.0 61.5 42.5 17.5 187 195 A T B -J 207 0D 3 20,-1.2 20,-0.9 -2,-0.3 228,-0.1 -0.898 15.0-154.7-151.5 176.3 61.5 45.1 14.7 188 196 A W + 0 0 32 -2,-0.3 18,-0.2 226,-0.2 -1,-0.1 0.702 46.7 119.1-131.3 -37.6 59.0 47.6 13.2 189 197 A X - 0 0 9 225,-0.2 2,-0.6 1,-0.1 224,-0.1 -0.101 62.7-131.1 -41.3 112.2 59.7 48.7 9.6 190 198 A L + 0 0 6 222,-0.3 221,-2.0 325,-0.2 2,-0.3 -0.590 49.5 143.8 -72.1 113.5 56.7 47.5 7.6 191 199 A C B +K 410 0E 2 -2,-0.6 2,-0.3 219,-0.2 219,-0.2 -0.995 18.6 58.1-152.7 153.2 58.0 45.7 4.6 192 200 A G S S- 0 0 4 217,-0.6 217,-0.3 -2,-0.3 -34,-0.1 -0.932 80.8 -42.0 130.8-154.9 57.3 42.8 2.4 193 201 A T - 0 0 6 -2,-0.3 3,-0.2 3,-0.2 -34,-0.1 -0.955 38.5-132.0-121.2 137.1 54.4 41.6 0.2 194 202 A P S > S+ 0 0 26 0, 0.0 3,-2.6 0, 0.0 -1,-0.1 0.926 106.0 49.9 -46.0 -63.1 50.7 41.7 1.0 195 203 A E T 3 S+ 0 0 29 1,-0.3 35,-0.2 34,-0.0 -35,-0.0 0.877 121.8 35.6 -46.8 -45.0 49.8 38.1 0.0 196 204 A Y T 3 S+ 0 0 7 -3,-0.2 2,-0.5 -37,-0.1 -1,-0.3 -0.053 93.2 122.4-101.5 31.8 52.7 36.9 2.1 197 205 A L < - 0 0 9 -3,-2.6 -5,-0.1 -5,-0.1 15,-0.1 -0.841 55.2-136.6-100.3 126.5 52.3 39.5 4.8 198 206 A A > - 0 0 0 -2,-0.5 4,-1.8 13,-0.1 3,-0.4 -0.344 18.2-114.9 -77.6 158.5 51.7 38.3 8.4 199 207 A P H > S+ 0 0 3 0, 0.0 4,-2.5 0, 0.0 3,-0.4 0.972 111.6 54.0 -55.4 -65.7 49.2 39.8 10.8 200 208 A E H 4>S+ 0 0 25 1,-0.3 5,-1.5 67,-0.2 4,-0.3 0.764 109.8 53.1 -43.3 -29.7 51.5 41.3 13.5 201 209 A I H >45S+ 0 0 8 -3,-0.4 3,-1.5 2,-0.2 -1,-0.3 0.956 108.5 46.1 -72.1 -52.5 53.2 43.1 10.6 202 210 A I H 3<5S+ 0 0 4 -4,-1.8 -2,-0.2 -3,-0.4 -1,-0.2 0.870 108.0 57.5 -57.4 -40.0 50.0 44.7 9.2 203 211 A L T 3<5S- 0 0 35 -4,-2.5 -1,-0.3 3,-0.1 -2,-0.2 0.640 102.9-137.2 -67.4 -14.2 49.0 45.7 12.7 204 212 A S T < 5 + 0 0 14 -3,-1.5 -3,-0.2 -5,-0.3 -2,-0.1 0.914 66.4 123.4 56.4 48.0 52.3 47.6 13.0 205 213 A K S - 0 0 20 -2,-0.3 3,-1.4 -22,-0.2 4,-0.4 -0.482 57.5 -49.2-132.3-157.9 60.0 38.7 15.0 209 217 A K T >> S+ 0 0 34 -24,-0.3 3,-1.6 1,-0.3 4,-0.7 0.748 119.3 79.3 -52.2 -24.9 61.4 35.7 13.1 210 218 A A H >> S+ 0 0 1 1,-0.3 4,-1.8 2,-0.2 3,-1.6 0.887 78.1 63.8 -52.2 -48.6 57.8 34.4 13.3 211 219 A V H <> S+ 0 0 4 -3,-1.4 4,-1.3 1,-0.3 -1,-0.3 0.728 97.8 60.4 -51.7 -22.0 56.5 36.6 10.4 212 220 A D H <> S+ 0 0 0 -3,-1.6 4,-0.9 -4,-0.4 -1,-0.3 0.855 103.1 48.7 -74.7 -36.4 58.9 34.6 8.2 213 221 A W H XX S+ 0 0 10 -3,-1.6 4,-1.6 -4,-0.7 3,-0.7 0.908 108.7 53.0 -69.1 -42.7 57.2 31.3 9.0 214 222 A W H 3X S+ 0 0 0 -4,-1.8 4,-1.6 1,-0.3 -1,-0.2 0.868 104.2 57.5 -59.6 -36.9 53.7 32.8 8.3 215 223 A A H 3X S+ 0 0 4 -4,-1.3 4,-1.2 -5,-0.3 -1,-0.3 0.810 103.2 54.8 -63.7 -29.8 55.1 33.9 4.9 216 224 A L H > S- 0 0 93 1,-0.1 4,-1.5 -3,-0.1 3,-0.6 -0.605 80.5-130.6 -85.3 142.9 42.1 46.9 -2.8 235 243 A P H 3> S+ 0 0 40 0, 0.0 4,-2.2 0, 0.0 3,-0.3 0.935 107.7 57.0 -55.3 -51.5 45.1 46.4 -0.5 236 244 A I H 3> S+ 0 0 33 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.819 105.0 54.8 -50.7 -33.5 43.3 47.3 2.7 237 245 A Q H <> S+ 0 0 71 -3,-0.6 4,-1.8 2,-0.2 -1,-0.2 0.936 105.8 50.1 -66.9 -47.9 40.8 44.5 1.8 238 246 A I H X S+ 0 0 11 -4,-1.5 4,-1.9 -3,-0.3 3,-0.3 0.930 113.2 45.7 -56.0 -49.5 43.6 41.9 1.6 239 247 A Y H X S+ 0 0 8 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.902 108.9 56.0 -62.2 -41.8 45.0 42.9 4.9 240 248 A E H < S+ 0 0 74 -4,-2.1 -1,-0.2 -5,-0.3 4,-0.2 0.838 108.9 48.2 -59.3 -33.5 41.6 42.9 6.5 241 249 A K H >X>S+ 0 0 95 -4,-1.8 4,-1.3 -3,-0.3 5,-1.0 0.871 110.4 50.5 -74.6 -38.4 41.1 39.3 5.3 242 250 A I H 3<5S+ 0 0 0 -4,-1.9 3,-0.2 1,-0.2 -2,-0.2 0.891 103.4 59.1 -66.0 -40.6 44.5 38.2 6.7 243 251 A V T 3<5S+ 0 0 24 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.606 105.5 52.4 -65.2 -10.7 43.8 39.8 10.1 244 252 A S T <45S- 0 0 82 -3,-0.9 -1,-0.2 -4,-0.2 -2,-0.2 0.816 103.5-129.5 -93.5 -37.2 40.8 37.5 10.3 245 253 A G T <5 + 0 0 37 -4,-1.3 -3,-0.2 -3,-0.2 -2,-0.1 0.846 45.6 162.8 89.5 38.8 42.5 34.2 9.6 246 254 A K < - 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0 0 18 -2,-2.4 2,-1.4 -3,-0.4 3,-0.1 -0.892 53.9-161.2-147.1 110.1 61.2 13.9 3.6 293 301 A D >> - 0 0 99 -2,-0.3 4,-2.0 1,-0.2 3,-1.5 -0.707 12.7-174.0 -92.7 84.0 64.8 13.0 4.2 294 302 A W H 3> S+ 0 0 40 -2,-1.4 4,-2.3 1,-0.3 -1,-0.2 0.838 82.3 56.2 -47.7 -40.9 65.9 16.5 5.2 295 303 A I H 3> S+ 0 0 124 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.837 109.4 47.4 -62.7 -31.9 69.6 15.4 5.3 296 304 A A H <4>S+ 0 0 14 -3,-1.5 5,-2.9 2,-0.2 6,-0.4 0.850 108.1 55.1 -76.7 -36.5 69.2 14.2 1.7 297 305 A I H ><5S+ 0 0 6 -4,-2.0 3,-1.5 3,-0.2 5,-0.2 0.927 106.1 50.9 -62.3 -47.0 67.6 17.4 0.6 298 306 A Y H 3<5S+ 0 0 80 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.937 110.3 48.2 -56.6 -49.6 70.4 19.6 1.9 299 307 A Q T 3<5S- 0 0 116 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.448 110.5-128.1 -71.4 1.9 73.0 17.4 0.1 300 308 A R T < 5 + 0 0 60 -3,-1.5 -3,-0.2 1,-0.2 4,-0.1 0.856 68.3 137.1 52.6 36.8 70.7 17.8 -2.9 301 309 A K < + 0 0 109 -5,-2.9 2,-0.6 -6,-0.1 -4,-0.2 0.173 43.2 93.7 -96.2 16.0 70.8 14.0 -3.2 302 310 A V S S- 0 0 48 -6,-0.4 -1,-0.0 -5,-0.2 -2,-0.0 -0.929 88.7-115.6-113.3 110.2 67.1 14.1 -3.8 303 311 A E - 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0 0 100 0, 0.0 2,-0.4 0, 0.0 -67,-0.2 -0.349 67.8-165.8 -60.6 137.1 38.7 50.5 36.5 654 343 B L B -V 585 0J 4 -69,-2.4 -69,-1.3 -4,-0.1 2,-0.7 -0.929 14.6-172.2-134.9 113.1 41.2 47.6 36.4 655 344 B K E + T 0 606I 42 -49,-1.2 -50,-2.4 -2,-0.4 -49,-2.1 -0.897 23.4 156.8-102.7 114.3 43.6 46.8 33.6 656 345 B C E - T 0 604I 5 -2,-0.7 -52,-0.2 -74,-0.3 2,-0.2 -0.959 31.3-143.5-145.0 124.1 45.4 43.5 34.2 657 346 B V E - T 0 603I 7 -54,-1.2 -54,-2.2 -2,-0.4 2,-0.3 -0.492 23.4-162.9 -81.1 152.5 47.0 41.0 31.8 658 347 B K E -ST 581 602I 41 -77,-2.9 -77,-2.2 -56,-0.2 2,-0.3 -0.903 14.6-170.5-136.6 166.0 46.8 37.3 32.4 659 348 B L E - T 0 601I 3 -58,-3.0 -58,-3.1 -2,-0.3 2,-0.3 -0.985 10.3-151.1-154.3 144.5 48.3 34.0 31.4 660 349 B D E > - T 0 600I 30 -2,-0.3 4,-2.3 -60,-0.2 -60,-0.2 -0.751 28.4-112.5-118.1 166.1 47.4 30.3 31.9 661 350 B R H > S+ 0 0 88 -62,-1.2 4,-1.6 -2,-0.3 5,-0.3 0.908 112.5 55.1 -62.1 -45.9 49.3 27.0 32.2 662 351 B P H > S+ 0 0 81 0, 0.0 4,-0.9 0, 0.0 -1,-0.2 0.941 113.9 39.8 -53.9 -52.3 47.9 25.6 28.9 663 352 B R H 4 S+ 0 0 35 2,-0.2 3,-0.4 1,-0.1 -2,-0.2 0.939 114.7 55.7 -62.6 -49.8 49.1 28.5 26.8 664 353 B F H >X S+ 0 0 9 -4,-2.3 3,-1.0 1,-0.2 4,-0.8 0.955 104.1 47.1 -46.2 -77.9 52.4 28.9 28.7 665 354 B E H 3X S+ 0 0 61 -4,-1.6 4,-1.8 1,-0.3 3,-0.2 0.705 99.9 69.9 -41.8 -30.7 53.9 25.4 28.4 666 355 B R H 3< S+ 0 0 84 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.1 0.051 116.4 22.5 -82.1 30.6 53.2 25.4 24.6 667 356 B V H <4 S+ 0 0 13 -3,-1.0 -1,-0.2 -391,-0.2 -2,-0.2 0.277 137.6 29.0-167.7 -6.3 55.9 28.0 24.1 668 357 B L H < S- 0 0 8 -4,-0.8 -3,-0.2 -3,-0.2 -2,-0.2 0.244 103.3-119.1-143.6 4.0 58.1 27.7 27.2 669 358 B G < - 0 0 6 -4,-1.8 -3,-0.1 -5,-0.4 5,-0.1 0.176 60.6 -31.4 68.9 162.1 57.8 24.0 28.0 670 359 B P > - 0 0 60 0, 0.0 4,-0.7 0, 0.0 3,-0.2 -0.035 56.1-133.1 -46.1 151.9 56.4 22.9 31.4 671 360 B C H > S+ 0 0 1 -33,-0.2 4,-2.1 1,-0.2 5,-0.4 0.740 90.9 82.4 -82.2 -25.3 57.1 25.2 34.3 672 361 B S H > S+ 0 0 50 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.894 102.1 34.6 -45.4 -50.8 58.3 22.5 36.7 673 362 B E H > S+ 0 0 70 2,-0.2 4,-0.7 -3,-0.2 -1,-0.2 0.870 108.0 68.4 -74.1 -38.8 61.8 22.5 35.2 674 363 B I H >< S+ 0 0 2 -4,-0.7 3,-0.6 1,-0.3 -2,-0.2 0.905 113.9 29.4 -45.6 -50.7 61.8 26.2 34.5 675 364 B L H >< S+ 0 0 5 -4,-2.1 3,-0.6 1,-0.2 7,-0.4 0.718 104.5 79.1 -83.3 -23.0 61.9 26.9 38.2 676 365 B K H >< + 0 0 103 -4,-1.1 3,-0.7 -5,-0.4 -1,-0.2 0.601 66.8 91.9 -60.4 -9.5 63.7 23.7 38.9 677 366 B R T << S+ 0 0 122 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.1 0.185 95.4 36.9 -72.4 21.1 66.8 25.6 37.7 678 367 B N T X> S- 0 0 67 -3,-0.6 4,-3.4 2,-0.0 3,-0.8 -0.272 71.0-173.3-170.8 66.4 67.2 26.4 41.4 679 368 B I H <> S+ 0 0 115 -3,-0.7 4,-2.3 1,-0.3 5,-0.1 0.765 86.2 57.6 -36.3 -38.8 66.2 23.5 43.6 680 369 B Q H 3> S+ 0 0 141 2,-0.2 4,-1.5 1,-0.2 -1,-0.3 0.966 117.1 30.2 -62.5 -54.3 66.6 25.7 46.7 681 370 B R H <> S+ 0 0 28 -3,-0.8 4,-1.4 2,-0.2 -2,-0.2 0.924 116.3 59.3 -71.0 -44.7 64.1 28.3 45.5 682 371 B Y H X S+ 0 0 63 -4,-3.4 4,-1.3 -7,-0.4 5,-0.3 0.908 105.8 52.6 -46.6 -45.3 62.0 25.8 43.6 683 372 B N H X S+ 0 0 74 -4,-2.3 4,-2.9 -5,-0.4 5,-0.3 0.927 99.0 61.8 -57.2 -52.1 61.7 24.0 47.0 684 373 B S H < S+ 0 0 60 -4,-1.5 -1,-0.2 1,-0.2 4,-0.2 0.853 104.9 47.5 -44.6 -48.3 60.4 27.1 48.8 685 374 B F H >< S+ 0 0 48 -4,-1.4 3,-0.9 -3,-0.2 -1,-0.2 0.967 120.0 31.6 -64.4 -58.9 57.3 27.5 46.7 686 375 B I H >< S+ 0 0 72 -4,-1.3 3,-0.8 1,-0.3 -2,-0.2 0.874 114.2 60.0 -70.2 -35.8 55.9 23.9 46.6 687 376 B S T 3< S+ 0 0 65 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.576 112.8 44.5 -67.0 -6.0 57.1 23.1 50.1 688 377 B L T < 0 0 129 -3,-0.9 -1,-0.3 -5,-0.3 -2,-0.1 -0.496 360.0 360.0-135.9 63.5 54.9 26.0 51.0 689 378 B T < 0 0 114 -3,-0.8 -3,-0.1 -53,-0.0 -4,-0.0 -0.627 360.0 360.0-135.6 360.0 51.7 25.5 49.1