==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 19-SEP-11 3TV7 . COMPND 2 MOLECULE: RHO-ASSOCIATED PROTEIN KINASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.P.MARTIN,J.-Y.ZHU,E.SCHONBRUNN . 1582 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 73964.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 970 61.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 0.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 187 11.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 3 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 74 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 190 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 456 28.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 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 7 2 7 7 0 6 8 0 0 0 0 4 4 0 0 0 8 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 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 . 1 15 6 0 7 0 8 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 . 8 0 4 0 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 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 T 0 0 130 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 0.2 -41.0 -62.5 27.6 2 10 A R + 0 0 226 2,-0.0 3,-0.1 0, 0.0 0, 0.0 0.915 360.0 156.8 60.6 50.6 -38.3 -60.6 29.5 3 11 A F + 0 0 117 456,-0.1 457,-0.1 1,-0.1 456,-0.0 0.749 18.1 109.4 66.0-121.2 -36.8 -59.8 26.7 4 12 A E + 0 0 91 1,-0.2 -1,-0.1 2,-0.1 -2,-0.0 0.310 16.3 145.9 -36.7 -73.2 -34.7 -56.9 26.8 5 13 A K > + 0 0 105 1,-0.2 4,-1.8 -3,-0.1 -1,-0.2 0.395 56.2 98.5 65.3 -13.3 -31.1 -58.2 26.4 6 14 A M H > + 0 0 32 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.670 69.4 67.1 -77.8 -22.4 -30.8 -54.9 24.4 7 15 A D H > S+ 0 0 67 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.903 106.2 39.1 -55.7 -45.4 -29.4 -53.6 27.6 8 16 A N H > S+ 0 0 86 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.874 112.9 54.7 -78.4 -37.7 -26.4 -55.9 27.0 9 17 A L H < S+ 0 0 34 -4,-1.8 8,-0.3 1,-0.2 -1,-0.2 0.835 113.8 43.6 -59.9 -36.9 -26.4 -55.2 23.3 10 18 A L H < S+ 0 0 29 -4,-2.1 9,-1.9 8,-0.2 10,-0.2 0.808 118.7 43.6 -77.4 -32.4 -26.2 -51.5 24.1 11 19 A R H < S+ 0 0 183 -4,-1.5 -2,-0.2 7,-0.2 -3,-0.2 0.555 85.5 105.0 -92.2 -10.6 -23.6 -52.1 26.9 12 20 A D >< - 0 0 76 -4,-1.8 3,-2.2 1,-0.2 6,-0.2 -0.624 59.0-153.2 -80.5 117.5 -21.3 -54.6 25.1 13 21 A P T 3 S+ 0 0 49 0, 0.0 -1,-0.2 0, 0.0 -4,-0.0 0.704 101.0 49.2 -60.5 -19.9 -18.0 -52.9 23.9 14 22 A K T 3 S+ 0 0 135 3,-0.0 2,-0.2 108,-0.0 -2,-0.1 0.477 91.5 103.0 -94.6 -6.5 -17.9 -55.5 21.2 15 23 A S X - 0 0 16 -3,-2.2 3,-0.8 -7,-0.2 6,-0.2 -0.571 64.1-148.5 -81.2 140.8 -21.5 -54.9 20.2 16 24 A E T 3 S+ 0 0 74 -2,-0.2 -1,-0.1 1,-0.2 -6,-0.1 0.572 99.1 53.6 -85.1 -13.6 -22.2 -52.9 17.0 17 25 A V T 3 S+ 0 0 0 -8,-0.3 -1,-0.2 -5,-0.1 -2,-0.0 0.177 82.5 130.8 -96.1 8.8 -25.4 -51.5 18.4 18 26 A N S <> S- 0 0 14 -3,-0.8 4,-2.6 -6,-0.2 3,-0.4 -0.199 76.8 -95.4 -64.9 162.5 -23.7 -50.3 21.6 19 27 A S H > S+ 0 0 26 -9,-1.9 4,-2.2 1,-0.2 5,-0.2 0.832 122.7 48.8 -47.2 -45.5 -24.3 -46.6 22.7 20 28 A D H > S+ 0 0 32 -10,-0.2 4,-2.2 2,-0.2 368,-0.2 0.880 111.0 48.4 -70.2 -39.2 -21.2 -45.2 21.0 21 29 A C H > S+ 0 0 4 -3,-0.4 4,-2.4 -6,-0.2 -1,-0.2 0.941 110.4 53.7 -62.3 -44.8 -21.9 -46.9 17.6 22 30 A L H X S+ 0 0 6 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.910 111.4 44.9 -53.9 -44.8 -25.5 -45.6 17.9 23 31 A L H X S+ 0 0 3 -4,-2.2 4,-2.5 -5,-0.2 -1,-0.2 0.840 108.9 55.9 -68.1 -35.2 -24.1 -42.1 18.4 24 32 A D H X S+ 0 0 4 -4,-2.2 4,-3.2 2,-0.2 5,-0.3 0.885 104.7 56.4 -61.5 -37.8 -21.6 -42.6 15.6 25 33 A G H X S+ 0 0 9 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.954 110.2 41.2 -56.8 -51.2 -24.6 -43.4 13.4 26 34 A L H X S+ 0 0 8 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.896 115.5 51.2 -70.4 -38.4 -26.4 -40.1 14.1 27 35 A D H X S+ 0 0 11 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.947 112.0 45.8 -61.8 -50.2 -23.2 -38.2 13.8 28 36 A A H X S+ 0 0 6 -4,-3.2 4,-2.5 1,-0.2 355,-0.2 0.920 110.6 55.3 -56.6 -46.9 -22.3 -39.7 10.4 29 37 A L H X S+ 0 0 4 -4,-2.6 4,-1.1 -5,-0.3 -1,-0.2 0.924 110.3 44.3 -53.2 -50.1 -25.8 -39.2 9.2 30 38 A V H >X S+ 0 0 7 -4,-2.2 4,-1.4 2,-0.2 3,-1.1 0.963 111.7 51.2 -65.3 -51.1 -25.8 -35.5 10.0 31 39 A Y H >< S+ 0 0 54 -4,-2.4 3,-0.6 1,-0.3 -1,-0.2 0.914 114.0 46.3 -46.8 -50.5 -22.3 -34.8 8.5 32 40 A D H 3< S+ 0 0 8 -4,-2.5 348,-0.3 1,-0.2 -1,-0.3 0.574 114.5 46.2 -73.5 -19.0 -23.3 -36.6 5.3 33 41 A L H << S+ 0 0 0 -3,-1.1 2,-1.0 -4,-1.1 -1,-0.2 0.574 85.2 100.2 -95.4 -12.2 -26.7 -34.8 5.0 34 42 A D << + 0 0 74 -4,-1.4 3,-0.1 -3,-0.6 -1,-0.1 -0.621 53.6 104.5 -93.1 107.4 -25.5 -31.3 5.6 35 43 A F S > S- 0 0 49 -2,-1.0 4,-1.6 1,-0.1 5,-0.1 -0.964 74.5-111.4-176.0 145.9 -25.1 -29.5 2.3 36 44 A P T >4 S+ 0 0 87 0, 0.0 3,-0.7 0, 0.0 4,-0.4 0.955 116.6 47.5 -58.1 -51.5 -26.9 -26.9 0.2 37 45 A A G >4 S+ 0 0 30 339,-0.3 3,-0.8 1,-0.3 4,-0.2 0.852 114.2 48.0 -58.7 -38.2 -28.0 -29.4 -2.5 38 46 A L G >4 S+ 0 0 9 338,-0.3 3,-1.0 1,-0.2 7,-0.3 0.726 100.1 64.6 -79.8 -21.6 -29.2 -31.9 0.0 39 47 A R G << S+ 0 0 71 -4,-1.6 -1,-0.2 -3,-0.7 -2,-0.2 0.473 83.8 77.1 -82.5 -1.3 -31.2 -29.3 2.1 40 48 A K G < S+ 0 0 170 -3,-0.8 2,-0.5 -4,-0.4 -1,-0.2 0.735 78.8 81.0 -76.3 -23.7 -33.5 -28.8 -1.0 41 49 A N S <> S- 0 0 45 -3,-1.0 4,-2.4 -4,-0.2 5,-0.1 -0.746 78.1-152.7 -74.3 122.5 -35.0 -32.1 0.1 42 50 A K H > S+ 0 0 136 -2,-0.5 4,-3.0 2,-0.2 5,-0.3 0.872 92.2 62.7 -71.7 -36.4 -37.4 -31.0 2.9 43 51 A N H > S+ 0 0 18 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.929 112.5 39.0 -47.6 -46.0 -37.2 -34.4 4.6 44 52 A I H > S+ 0 0 5 -6,-0.2 4,-2.9 2,-0.2 5,-0.2 0.934 113.5 51.0 -73.2 -51.3 -33.6 -33.6 5.1 45 53 A D H X S+ 0 0 58 -4,-2.4 4,-2.3 -7,-0.3 5,-0.2 0.906 113.1 48.4 -53.2 -45.0 -33.8 -29.9 5.9 46 54 A N H X S+ 0 0 88 -4,-3.0 4,-1.7 2,-0.2 -1,-0.2 0.852 111.8 48.0 -66.4 -38.3 -36.4 -30.6 8.5 47 55 A F H X S+ 0 0 1 -4,-1.4 4,-2.2 -5,-0.3 5,-0.2 0.945 112.3 49.3 -67.5 -50.2 -34.4 -33.4 10.1 48 56 A L H X S+ 0 0 3 -4,-2.9 4,-1.4 1,-0.2 -2,-0.2 0.878 112.2 47.2 -55.9 -43.2 -31.2 -31.3 10.2 49 57 A S H < S+ 0 0 65 -4,-2.3 4,-0.5 -5,-0.2 -1,-0.2 0.875 112.9 50.8 -71.1 -33.4 -32.9 -28.3 11.8 50 58 A R H < S+ 0 0 63 -4,-1.7 4,-0.3 -5,-0.2 -2,-0.2 0.855 122.3 29.4 -64.6 -43.1 -34.6 -30.7 14.4 51 59 A Y H X S+ 0 0 4 -4,-2.2 4,-2.7 1,-0.1 5,-0.2 0.495 94.1 95.6-100.1 -3.7 -31.3 -32.4 15.4 52 60 A K H X S+ 0 0 92 -4,-1.4 4,-2.6 -5,-0.2 5,-0.2 0.914 86.9 43.2 -56.2 -53.7 -28.8 -29.6 14.8 53 61 A D H > S+ 0 0 114 -4,-0.5 4,-2.0 1,-0.2 -1,-0.2 0.927 116.8 46.5 -59.8 -47.6 -28.7 -28.2 18.3 54 62 A T H > S+ 0 0 16 -4,-0.3 4,-2.7 1,-0.2 -1,-0.2 0.855 112.2 52.2 -68.3 -31.6 -28.5 -31.6 20.0 55 63 A I H X S+ 0 0 3 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.923 107.2 50.6 -69.1 -46.2 -25.8 -32.7 17.5 56 64 A N H X S+ 0 0 94 -4,-2.6 4,-1.3 -5,-0.2 -2,-0.2 0.910 112.7 49.5 -55.4 -42.3 -23.6 -29.7 18.2 57 65 A K H >X S+ 0 0 99 -4,-2.0 4,-2.3 -5,-0.2 3,-0.5 0.961 109.1 49.1 -60.9 -55.7 -23.9 -30.5 21.8 58 66 A I H 3X S+ 0 0 2 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.931 106.3 58.0 -51.2 -47.5 -23.1 -34.2 21.5 59 67 A R H 3< S+ 0 0 62 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.871 111.4 42.5 -53.8 -38.5 -20.0 -33.4 19.5 60 68 A D H << S+ 0 0 87 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.836 113.4 50.8 -76.0 -34.6 -18.7 -31.3 22.3 61 69 A L H < S+ 0 0 26 -4,-2.3 -2,-0.2 -5,-0.1 -3,-0.2 0.943 101.3 70.1 -70.7 -45.5 -19.7 -33.7 25.1 62 70 A R S < S- 0 0 20 -4,-2.8 339,-0.1 -5,-0.2 73,-0.0 -0.186 106.6 -71.7 -69.9 161.8 -18.0 -36.8 23.5 63 71 A M + 0 0 36 71,-0.1 73,-0.3 3,-0.0 2,-0.3 -0.313 63.2 174.8 -58.9 132.9 -14.3 -37.2 23.3 64 72 A K > - 0 0 26 -4,-0.1 3,-1.4 -3,-0.1 4,-0.1 -0.869 46.2-104.0-136.9 166.3 -12.8 -34.9 20.6 65 73 A A G > S+ 0 0 25 -2,-0.3 3,-2.3 1,-0.2 -1,-0.1 0.904 114.1 66.2 -59.0 -41.0 -9.4 -33.8 19.2 66 74 A E G 3 S+ 0 0 119 1,-0.3 -1,-0.2 3,-0.0 22,-0.1 0.672 85.8 73.9 -55.7 -18.0 -9.5 -30.4 21.2 67 75 A D G < S+ 0 0 17 -3,-1.4 21,-1.9 20,-0.1 22,-0.4 0.563 93.0 67.0 -73.4 -5.7 -9.3 -32.5 24.4 68 76 A Y E < S-A 87 0A 10 -3,-2.3 2,-0.4 19,-0.2 19,-0.2 -0.939 70.9-141.3-125.0 138.3 -5.6 -33.1 23.7 69 77 A E E -A 86 0A 89 17,-3.1 17,-2.5 -2,-0.4 2,-0.6 -0.799 25.2-133.2 -87.0 130.9 -2.4 -31.0 23.5 70 78 A V E +A 85 0A 70 -2,-0.4 15,-0.2 15,-0.2 3,-0.1 -0.804 27.9 176.0 -87.3 120.9 -0.1 -32.1 20.6 71 79 A V E - 0 0 46 13,-3.2 2,-0.3 -2,-0.6 14,-0.2 0.940 61.3 -16.5 -89.0 -62.8 3.5 -32.3 22.0 72 80 A K E -A 84 0A 39 12,-1.1 12,-2.7 290,-0.0 2,-0.8 -0.972 58.2-119.3-138.7 159.1 5.5 -33.6 19.1 73 81 A V E +A 83 0A 2 290,-0.7 290,-0.4 -2,-0.3 10,-0.2 -0.898 33.0 175.6 -95.8 110.6 4.8 -35.3 15.8 74 82 A I E + 0 0 27 8,-1.6 2,-0.3 -2,-0.8 287,-0.2 0.412 55.7 13.0 -99.3 -0.3 6.6 -38.6 16.1 75 83 A G E -A 82 0A 18 7,-1.3 7,-2.1 285,-0.1 2,-0.4 -0.970 48.0-152.9-170.3 155.5 5.6 -40.3 12.8 76 84 A R E +A 81 0A 103 -2,-0.3 5,-0.3 5,-0.3 -3,-0.0 -0.919 12.7 171.0-137.7 117.2 4.0 -40.1 9.3 77 85 A G - 0 0 60 3,-2.2 4,-0.2 -2,-0.4 -1,-0.1 0.275 50.3-118.9-105.1 9.7 2.3 -43.0 7.5 78 86 A A S S+ 0 0 83 2,-0.9 3,-0.1 1,-0.2 21,-0.0 0.410 115.1 71.8 64.2 -9.4 0.8 -41.0 4.5 79 87 A F S S- 0 0 24 1,-0.3 21,-3.2 19,-0.1 2,-0.3 0.298 126.7 -66.1 -98.5 -1.3 -2.5 -42.2 5.8 80 88 A G - 0 0 19 19,-0.2 -3,-2.2 23,-0.1 -2,-0.9 -0.988 61.4 -76.0 154.4-157.3 -1.8 -39.7 8.6 81 89 A E E -A 76 0A 28 17,-0.3 17,-3.2 -2,-0.3 2,-0.4 -0.763 24.1-126.1-128.8 177.2 0.6 -39.1 11.4 82 90 A V E -AB 75 97A 42 -7,-2.1 -8,-1.6 -2,-0.2 -7,-1.3 -0.997 30.3-168.4-126.4 132.5 1.3 -40.3 14.9 83 91 A Q E -AB 73 96A 22 13,-3.0 13,-2.7 -2,-0.4 2,-0.6 -0.921 27.1-130.4-123.9 145.2 1.5 -37.7 17.7 84 92 A L E +AB 72 95A 0 -12,-2.7 -13,-3.2 -2,-0.4 -12,-1.1 -0.875 44.2 179.5 -87.1 124.0 2.7 -37.6 21.2 85 93 A V E -AB 70 94A 0 9,-2.8 9,-2.8 -2,-0.6 2,-0.4 -0.871 23.4-149.5-126.6 152.7 -0.3 -35.9 22.9 86 94 A R E -AB 69 93A 43 -17,-2.5 -17,-3.1 -2,-0.3 7,-0.2 -0.993 25.6-119.4-125.2 130.9 -1.2 -34.9 26.5 87 95 A H E > -A 68 0A 31 5,-2.8 4,-1.4 -2,-0.4 -19,-0.2 -0.462 20.4-140.6 -64.1 129.1 -4.7 -34.7 27.8 88 96 A K T 4 S+ 0 0 108 -21,-1.9 -1,-0.1 -2,-0.2 -20,-0.1 0.730 95.0 30.7 -68.8 -23.2 -5.3 -31.1 28.9 89 97 A S T 4 S+ 0 0 97 -22,-0.4 -1,-0.1 3,-0.1 -21,-0.1 0.891 126.9 34.6 -97.3 -63.7 -7.3 -32.1 32.0 90 98 A T T 4 S- 0 0 72 1,-0.1 -2,-0.1 2,-0.1 3,-0.1 0.809 91.3-141.9 -61.6 -33.4 -5.9 -35.5 33.3 91 99 A R < + 0 0 107 -4,-1.4 -1,-0.1 1,-0.3 -3,-0.1 0.403 49.2 145.9 82.3 -2.6 -2.4 -34.5 32.2 92 100 A K - 0 0 127 -6,-0.1 -5,-2.8 1,-0.1 2,-0.4 -0.398 46.1-128.6 -62.9 141.9 -1.7 -38.1 31.1 93 101 A V E +B 86 0A 28 -7,-0.2 54,-0.6 -3,-0.1 2,-0.3 -0.808 33.4 170.2-101.8 133.7 0.5 -38.6 28.0 94 102 A Y E -BC 85 146A 17 -9,-2.8 -9,-2.8 -2,-0.4 2,-0.5 -0.916 34.8-116.8-138.4 159.2 -0.6 -40.8 25.1 95 103 A A E -BC 84 145A 14 50,-2.8 50,-3.6 -2,-0.3 2,-0.5 -0.857 31.4-163.7 -96.0 136.6 0.3 -41.8 21.6 96 104 A M E -BC 83 144A 4 -13,-2.7 -13,-3.0 -2,-0.5 2,-0.5 -0.974 8.7-157.2-126.5 122.2 -2.3 -40.8 19.0 97 105 A K E -BC 82 143A 27 46,-2.1 46,-2.0 -2,-0.5 2,-0.6 -0.838 11.9-152.0 -91.0 123.9 -2.5 -42.2 15.5 98 106 A L E - C 0 142A 14 -17,-3.2 2,-0.6 -2,-0.5 -17,-0.3 -0.894 8.0-166.5 -97.1 118.2 -4.4 -39.9 13.0 99 107 A L E - C 0 141A 5 42,-2.3 42,-2.4 -2,-0.6 2,-0.3 -0.934 17.5-135.7-102.1 118.8 -6.1 -41.7 10.2 100 108 A S E > - C 0 140A 19 -21,-3.2 4,-1.6 -2,-0.6 40,-0.2 -0.554 8.5-160.5 -69.5 125.9 -7.2 -39.4 7.3 101 109 A K H > S+ 0 0 3 38,-3.2 4,-0.6 -2,-0.3 -1,-0.2 0.882 90.5 59.9 -73.1 -37.6 -10.8 -40.2 6.1 102 110 A F H >> S+ 0 0 38 37,-0.6 4,-2.4 1,-0.2 3,-0.5 0.912 109.6 40.9 -53.7 -48.4 -10.1 -38.4 2.8 103 111 A E H 3> S+ 0 0 42 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.895 107.9 57.5 -73.7 -43.3 -7.2 -40.7 1.9 104 112 A M H 3< S+ 0 0 0 -4,-1.6 -1,-0.2 2,-0.2 -2,-0.2 0.568 113.7 45.4 -66.0 -7.8 -8.7 -44.0 3.0 105 113 A I H X< S+ 0 0 32 -4,-0.6 3,-2.7 -3,-0.5 -2,-0.2 0.845 112.0 46.5 -88.7 -61.7 -11.4 -43.0 0.5 106 114 A K H 3< S+ 0 0 129 -4,-2.4 -2,-0.2 1,-0.3 -3,-0.2 0.838 124.6 35.0 -48.2 -41.1 -9.3 -41.9 -2.4 107 115 A R T 3< S- 0 0 161 -4,-3.0 -1,-0.3 1,-0.4 -3,-0.1 0.328 104.2-142.8 -94.2 7.4 -7.1 -45.0 -2.1 108 116 A S < + 0 0 53 -3,-2.7 -1,-0.4 -5,-0.2 -2,-0.1 -0.468 60.0 126.1 56.5-134.5 -10.1 -47.0 -1.0 109 117 A D + 0 0 95 -2,-0.1 -1,-0.1 1,-0.1 3,-0.1 0.962 26.4 150.0 53.4 53.4 -8.7 -49.4 1.6 110 118 A S + 0 0 22 1,-0.1 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138 B Q - 0 0 61 -2,-0.1 16,-2.2 -7,-0.1 2,-0.6 -0.662 5.2-143.5 -88.3 137.7 -51.0 -41.6 29.5 529 139 B L E -O 543 0E 0 -11,-1.9 14,-0.3 -2,-0.3 3,-0.1 -0.874 17.0-179.2 -90.5 116.9 -49.0 -43.0 26.6 530 140 B F E + 0 0 24 12,-2.7 261,-2.6 -2,-0.6 2,-0.4 0.890 67.8 11.9 -82.2 -43.6 -47.1 -46.2 27.8 531 141 B Y E -OP 542 790E 54 11,-1.3 11,-3.8 259,-0.2 2,-0.4 -0.998 53.3-173.0-138.1 140.2 -45.2 -47.0 24.5 532 142 B A E +OP 541 789E 0 257,-3.0 257,-3.1 -2,-0.4 2,-0.3 -0.990 27.7 147.5-127.5 122.6 -44.6 -45.2 21.2 533 143 B F E -O 540 0E 2 7,-1.7 7,-2.7 -2,-0.4 2,-0.3 -0.895 20.6-163.6-146.5 177.7 -42.9 -47.3 18.5 534 144 B Q E -O 539 0E 27 -2,-0.3 2,-0.2 -73,-0.2 5,-0.2 -0.972 13.3-160.0-158.1 162.3 -42.9 -47.6 14.8 535 145 B D - 0 0 30 3,-2.0 -109,-0.0 -2,-0.3 -73,-0.0 -0.730 56.4 -77.3-131.5-170.7 -42.1 -49.6 11.7 536 146 B D S S+ 0 0 61 -2,-0.2 3,-0.1 1,-0.2 -37,-0.0 0.833 129.1 38.6 -60.0 -32.1 -41.7 -48.5 8.1 537 147 B R S S+ 0 0 78 1,-0.1 -38,-2.5 -38,-0.1 -37,-0.7 0.839 117.8 18.3 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109.9 50.3 -53.2 -51.8 -24.9 -1.4 73.5 1453 270 D E H 3X S+ 0 0 38 -4,-2.8 4,-0.8 1,-0.2 -1,-0.3 0.797 110.6 52.9 -62.3 -24.9 -28.0 -1.2 71.4 1454 271 D M H << S+ 0 0 7 -4,-1.4 -101,-0.5 -3,-0.6 -2,-0.2 0.899 119.2 30.7 -76.3 -43.0 -30.1 -0.9 74.6 1455 272 D L H < S+ 0 0 27 -4,-2.2 -2,-0.2 1,-0.1 -3,-0.2 0.931 130.6 35.5 -76.8 -49.0 -28.2 2.0 76.2 1456 273 D V H < S- 0 0 21 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.522 96.4-131.8 -89.6 -8.7 -27.1 3.8 73.0 1457 274 D G S < S+ 0 0 53 -4,-0.8 2,-0.3 -5,-0.5 -4,-0.2 0.360 80.0 76.2 73.8 -7.8 -30.2 3.1 70.9 1458 275 D D S S- 0 0 88 -6,-0.4 -2,-0.2 4,-0.0 -1,-0.1 -0.979 87.5-106.4-133.6 149.3 -28.1 1.9 67.9 1459 276 D T > - 0 0 10 -2,-0.3 3,-1.0 1,-0.1 -9,-0.1 -0.458 32.5-129.2 -64.6 142.3 -26.2 -1.2 67.0 1460 277 D P T 3 S+ 0 0 14 0, 0.0 21,-0.2 0, 0.0 -1,-0.1 0.874 106.8 41.3 -64.9 -35.7 -22.4 -0.4 67.3 1461 278 D F T 3 S+ 0 0 0 -39,-0.2 11,-0.2 19,-0.1 12,-0.2 0.336 85.0 145.7 -97.4 8.9 -21.6 -1.7 63.9 1462 279 D Y < + 0 0 120 -3,-1.0 2,-0.3 10,-0.1 4,-0.1 -0.146 13.0 158.3 -50.5 134.2 -24.7 -0.2 62.2 1463 280 D A - 0 0 15 2,-0.2 6,-0.2 9,-0.0 5,-0.1 -0.946 51.4-114.0-152.3 149.8 -24.3 1.0 58.6 1464 281 D D S S+ 0 0 147 -2,-0.3 2,-0.3 4,-0.1 -2,-0.1 0.668 100.8 55.5 -68.9 -12.1 -27.0 1.5 56.0 1465 282 D S S > S- 0 0 53 1,-0.1 4,-1.7 0, 0.0 -2,-0.2 -0.783 80.7-130.0-114.0 160.8 -25.5 -1.3 53.9 1466 283 D L H > S+ 0 0 113 -2,-0.3 4,-2.6 2,-0.2 5,-0.1 0.898 109.8 50.3 -71.1 -44.4 -24.8 -4.9 54.8 1467 284 D V H > S+ 0 0 101 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.771 110.0 53.0 -65.9 -28.2 -21.2 -4.9 53.5 1468 285 D G H > S+ 0 0 22 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.942 109.6 46.0 -70.0 -51.3 -20.6 -1.7 55.5 1469 286 D T H X S+ 0 0 3 -4,-1.7 4,-2.3 -6,-0.2 -2,-0.2 0.904 112.8 53.4 -54.0 -44.1 -21.8 -3.3 58.7 1470 287 D Y H X S+ 0 0 93 -4,-2.6 4,-2.4 1,-0.2 5,-0.2 0.950 107.6 47.9 -58.9 -54.0 -19.7 -6.3 57.8 1471 288 D S H X S+ 0 0 69 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.841 110.6 54.7 -57.0 -33.6 -16.5 -4.3 57.3 1472 289 D K H < S+ 0 0 84 -4,-2.0 7,-0.3 -11,-0.2 4,-0.2 0.929 107.4 47.1 -68.1 -47.9 -17.2 -2.5 60.6 1473 290 D I H >< S+ 0 0 0 -4,-2.3 3,-1.7 2,-0.2 -2,-0.2 0.937 114.1 48.3 -54.5 -50.6 -17.5 -5.8 62.7 1474 291 D M H 3< S+ 0 0 60 -4,-2.4 3,-0.3 1,-0.3 -1,-0.2 0.893 116.7 43.9 -57.3 -37.3 -14.3 -7.0 61.0 1475 292 D N T >X S+ 0 0 89 -4,-1.9 3,-2.0 -5,-0.2 4,-1.6 0.391 77.6 129.6 -84.6 3.7 -12.8 -3.6 61.9 1476 293 D H H <> + 0 0 28 -3,-1.7 4,-1.2 1,-0.3 -1,-0.2 0.596 63.4 62.0 -46.2 -30.4 -14.3 -3.6 65.4 1477 294 D K H 34 S+ 0 0 176 -3,-0.3 -1,-0.3 1,-0.2 3,-0.2 0.961 122.4 21.9 -56.6 -52.7 -11.0 -2.7 67.1 1478 295 D N H <4 S+ 0 0 121 -3,-2.0 -2,-0.2 1,-0.1 -1,-0.2 0.626 124.2 58.3 -84.6 -19.1 -10.8 0.6 65.3 1479 296 D S H < S+ 0 0 22 -4,-1.6 2,-0.7 -7,-0.3 -3,-0.2 0.542 74.7 101.8 -96.4 -7.3 -14.6 0.8 64.6 1480 297 D L < - 0 0 41 -4,-1.2 2,-0.4 -5,-0.3 -19,-0.1 -0.697 50.9-177.3 -91.2 114.8 -16.1 0.7 68.0 1481 298 D T - 0 0 89 -2,-0.7 -2,-0.0 -21,-0.2 -3,-0.0 -0.920 26.4-149.6-118.6 129.1 -17.1 4.2 69.2 1482 299 D F - 0 0 64 -2,-0.4 -2,-0.0 1,-0.1 11,-0.0 -0.914 44.2-130.9 -96.9 120.2 -18.6 5.3 72.4 1483 300 D P > - 0 0 49 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 0.391 17.9-101.9 -80.2-173.0 -20.7 8.3 71.3 1484 301 D D T 3 S+ 0 0 167 1,-0.2 -2,-0.0 3,-0.0 0, 0.0 0.776 99.0 94.2 -60.3 -30.6 -21.5 11.9 71.9 1485 302 D D T 3 S- 0 0 111 -29,-0.1 2,-0.3 2,-0.0 -1,-0.2 0.565 96.3 -56.3 -50.5 -23.3 -24.7 10.6 73.6 1486 303 D N < - 0 0 98 -3,-0.5 2,-0.4 2,-0.1 -30,-0.0 -0.979 43.6 -90.2 179.6 175.5 -23.4 10.5 77.1 1487 304 D D - 0 0 143 -2,-0.3 2,-0.2 0, 0.0 3,-0.1 -0.930 56.4-178.8-111.1 104.5 -20.9 9.4 79.6 1488 305 D I - 0 0 31 -2,-0.4 -2,-0.1 1,-0.2 5,-0.0 -0.429 45.3 -40.2 -91.3-179.8 -22.8 6.2 80.5 1489 306 D S > - 0 0 31 -2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.055 38.5-145.2 -49.4 140.2 -21.5 3.9 83.2 1490 307 D K H > S+ 0 0 163 2,-0.2 4,-1.8 3,-0.2 -1,-0.2 0.823 108.9 50.8 -63.1 -35.3 -17.8 3.2 83.3 1491 308 D E H > S+ 0 0 79 2,-0.2 4,-2.2 3,-0.1 29,-0.3 0.945 111.0 45.0 -66.9 -52.5 -19.0 -0.3 84.4 1492 309 D A H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.954 113.3 50.1 -57.4 -53.1 -21.4 -0.7 81.5 1493 310 D K H X S+ 0 0 62 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.920 111.1 51.5 -48.2 -46.4 -18.9 0.6 79.0 1494 311 D N H X S+ 0 0 92 -4,-1.8 4,-1.0 2,-0.2 -1,-0.2 0.867 109.5 47.0 -66.6 -42.0 -16.3 -1.9 80.4 1495 312 D L H >X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 3,-1.5 0.981 112.5 49.7 -59.1 -58.6 -18.6 -4.9 80.2 1496 313 D I H 3X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.3 -2,-0.2 0.872 112.1 49.8 -48.5 -39.4 -19.6 -4.1 76.7 1497 314 D C H 3< S+ 0 0 53 -4,-2.3 -1,-0.3 -5,-0.3 -2,-0.2 0.718 108.1 52.9 -75.4 -20.1 -15.9 -3.7 75.9 1498 315 D A H << S+ 0 0 23 -3,-1.5 9,-2.0 -4,-1.0 3,-0.3 0.765 114.6 41.8 -82.1 -29.2 -15.1 -7.1 77.5 1499 316 D F H < S+ 0 0 0 -4,-2.1 -2,-0.2 7,-0.2 -3,-0.2 0.830 111.4 55.6 -79.9 -36.8 -17.8 -8.7 75.3 1500 317 D L S < S+ 0 0 4 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.1 0.233 90.5 94.1 -88.9 12.0 -16.9 -6.8 72.1 1501 318 D T S S- 0 0 42 -3,-0.3 2,-0.1 1,-0.2 5,-0.1 -0.352 90.3 -66.7 -86.7-177.2 -13.2 -7.9 72.1 1502 319 D D >> - 0 0 44 -2,-0.1 4,-0.7 1,-0.1 3,-0.6 -0.334 50.3-108.4 -68.7 152.6 -11.6 -10.8 70.3 1503 320 D R T 34 S+ 0 0 75 1,-0.2 -1,-0.1 2,-0.2 6,-0.1 0.714 112.3 58.4 -58.8 -28.3 -12.6 -14.3 71.4 1504 321 D E T 34 S+ 0 0 118 1,-0.2 -1,-0.2 5,-0.0 5,-0.0 0.906 120.4 28.2 -73.6 -40.8 -9.2 -15.3 73.1 1505 322 D V T <4 S+ 0 0 85 -3,-0.6 -1,-0.2 2,-0.1 -2,-0.2 0.358 99.9 129.0 -91.5 1.4 -9.4 -12.4 75.5 1506 323 D R >< - 0 0 0 -4,-0.7 3,-1.3 1,-0.1 2,-0.4 -0.216 65.6-105.0 -70.8 150.4 -13.3 -12.3 75.4 1507 324 D L T 3 S+ 0 0 16 -9,-2.0 -1,-0.1 1,-0.2 -2,-0.1 -0.539 102.5 29.3 -75.3 126.4 -15.4 -12.4 78.6 1508 325 D G T > S+ 0 0 2 -2,-0.4 3,-1.1 3,-0.1 -1,-0.2 0.372 79.5 110.2 105.7 -3.1 -17.1 -15.7 79.3 1509 326 D R T < S+ 0 0 100 -3,-1.3 -2,-0.1 1,-0.2 3,-0.1 0.763 84.2 50.7 -69.0 -23.7 -14.4 -18.0 77.7 1510 327 D N T 3 S- 0 0 100 1,-0.4 -1,-0.2 -4,-0.2 3,-0.2 0.210 130.4 -85.8 -92.8 8.9 -13.7 -19.0 81.4 1511 328 D G <> - 0 0 25 -3,-1.1 4,-0.5 1,-0.1 -1,-0.4 -0.345 50.0 -64.7 107.1 173.9 -17.4 -19.7 82.0 1512 329 D V H > S+ 0 0 14 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.625 115.9 72.2 -75.5 -15.3 -20.5 -17.8 83.0 1513 330 D E H > S+ 0 0 102 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.940 90.0 54.4 -70.5 -49.0 -19.2 -16.9 86.5 1514 331 D E H 4 S+ 0 0 37 -3,-0.3 4,-0.2 1,-0.2 -1,-0.2 0.810 111.9 49.9 -56.6 -26.1 -16.6 -14.3 85.5 1515 332 D I H >< S+ 0 0 0 -4,-0.5 3,-1.6 1,-0.2 -1,-0.2 0.930 107.7 51.2 -73.0 -48.0 -19.4 -12.6 83.7 1516 333 D K H 3< S+ 0 0 58 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.753 106.3 56.2 -62.3 -26.8 -21.8 -12.8 86.7 1517 334 D R T 3< S+ 0 0 159 -4,-2.0 -1,-0.3 3,-0.0 -2,-0.2 0.545 77.6 127.5 -83.5 -8.9 -19.2 -11.2 89.0 1518 335 D H X - 0 0 27 -3,-1.6 3,-2.2 -4,-0.2 4,-0.3 -0.208 68.9-126.1 -56.5 136.2 -18.8 -8.1 86.7 1519 336 D L G > S+ 0 0 123 1,-0.3 3,-1.1 2,-0.2 -1,-0.2 0.734 104.4 74.3 -60.2 -19.7 -19.2 -4.9 88.7 1520 337 D F G 3 S+ 0 0 0 -29,-0.3 -1,-0.3 1,-0.2 -28,-0.1 0.851 90.5 56.9 -58.2 -34.7 -21.9 -3.9 86.2 1521 338 D F G < S+ 0 0 5 -3,-2.2 -1,-0.2 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