==== 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 MEMBRANE PROTEIN 29-JAN-10 3LLQ . COMPND 2 MOLECULE: AQUAPORIN Z 2; . SOURCE 2 ORGANISM_SCIENTIFIC: AGROBACTERIUM TUMEFACIENS STR.; . AUTHOR Q.LIU,B.HILLERICH,J.LOVE,NEW YORK CONSORTIUM ON MEMBRANE PRO . 461 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17145.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 366 79.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 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 . 5 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 281 61.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 2.8 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 1 0 1 0 0 2 0 2 0 0 0 0 0 0 0 0 3 0 2 2 2 2 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 A M > 0 0 113 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -41.7 10.7 55.4 45.9 2 2 A G H > + 0 0 47 1,-0.2 4,-1.6 2,-0.2 5,-0.2 0.865 360.0 55.1 -62.4 -39.5 13.0 58.3 45.1 3 3 A R H > S+ 0 0 82 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.869 108.3 48.9 -55.2 -40.3 12.8 59.0 48.9 4 4 A K H > S+ 0 0 83 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.911 109.4 49.9 -73.5 -36.4 13.9 55.4 49.5 5 5 A L H X S+ 0 0 50 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.822 111.4 49.2 -69.2 -34.0 16.9 55.6 47.1 6 6 A L H X S+ 0 0 70 -4,-1.6 4,-3.1 2,-0.2 5,-0.3 0.894 108.6 54.2 -72.7 -38.2 18.0 58.8 48.8 7 7 A A H X S+ 0 0 0 -4,-2.0 4,-2.8 1,-0.2 -2,-0.2 0.972 112.5 43.7 -58.7 -47.8 17.7 57.1 52.3 8 8 A E H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 5,-0.3 0.856 113.6 51.2 -64.1 -37.3 20.0 54.3 51.0 9 9 A F H X S+ 0 0 47 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.952 114.3 40.8 -67.3 -55.8 22.4 56.8 49.4 10 10 A F H X S+ 0 0 33 -4,-3.1 4,-2.7 1,-0.2 -2,-0.2 0.955 116.4 52.9 -59.5 -41.5 22.8 59.0 52.5 11 11 A G H X S+ 0 0 1 -4,-2.8 4,-2.4 -5,-0.3 -2,-0.2 0.882 110.6 43.1 -58.6 -48.7 23.0 55.9 54.7 12 12 A T H X S+ 0 0 0 -4,-2.4 4,-2.4 -5,-0.2 5,-0.3 0.875 112.2 55.5 -70.7 -34.7 25.7 54.1 52.8 13 13 A F H X S+ 0 0 18 -4,-2.2 4,-3.4 -5,-0.3 5,-0.4 0.956 109.6 46.5 -53.8 -52.5 27.6 57.4 52.5 14 14 A W H X S+ 0 0 0 -4,-2.7 4,-2.9 2,-0.2 5,-0.5 0.950 110.1 54.7 -57.1 -43.5 27.4 57.7 56.4 15 15 A L H X S+ 0 0 5 -4,-2.4 4,-2.2 1,-0.2 5,-0.5 0.933 117.9 34.0 -56.7 -47.2 28.5 54.1 56.8 16 16 A V H X>S+ 0 0 0 -4,-2.4 4,-1.1 3,-0.2 5,-0.9 0.868 118.6 48.6 -79.9 -39.8 31.6 54.5 54.7 17 17 A F H X5S+ 0 0 0 -4,-3.4 4,-0.7 -5,-0.3 5,-0.2 0.937 121.4 38.3 -69.0 -37.3 32.5 58.1 55.6 18 18 A G H X5S+ 0 0 0 -4,-2.9 4,-2.0 -5,-0.4 -2,-0.2 0.977 125.1 36.5 -75.4 -53.8 32.1 57.3 59.4 19 19 A G H X5S+ 0 0 0 -4,-2.2 4,-1.7 -5,-0.5 -3,-0.2 0.973 127.0 34.3 -64.8 -58.3 33.6 53.8 59.4 20 20 A C H X5S+ 0 0 0 -4,-1.1 4,-3.0 -5,-0.5 5,-0.2 0.893 116.7 54.6 -65.4 -36.8 36.3 54.2 56.8 21 21 A G H XXS+ 0 0 0 -5,-0.9 4,-3.0 -4,-0.7 5,-0.6 0.942 106.1 52.7 -68.6 -32.0 37.0 57.8 57.8 22 22 A S H X>S+ 0 0 0 -4,-2.0 4,-1.5 -5,-0.2 5,-1.1 0.933 112.8 48.0 -67.6 -30.6 37.6 56.6 61.5 23 23 A A H X5S+ 0 0 30 -4,-1.7 4,-0.6 3,-0.2 5,-0.5 0.946 116.6 40.4 -72.3 -44.4 40.1 54.1 60.0 24 24 A V H <5S+ 0 0 33 -4,-3.0 -2,-0.2 1,-0.1 -1,-0.2 0.923 126.8 28.9 -69.8 -45.9 41.9 56.6 57.8 25 25 A F H <5S+ 0 0 7 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.872 133.8 15.4 -86.6 -34.2 42.1 59.6 60.2 26 26 A A H >< - 0 0 47 -3,-0.7 4,-2.0 3,-0.1 6,-0.1 -0.321 64.7 -95.8 -55.4 134.2 47.1 58.1 65.3 30 30 A P T 4 S- 0 0 89 0, 0.0 2,-2.9 0, 0.0 -1,-0.1 -0.236 90.5 -16.2 -62.9 138.1 50.2 58.0 67.7 31 31 A E T 4 S+ 0 0 188 1,-0.2 -2,-0.1 -3,-0.1 -3,-0.0 -0.259 142.0 43.4 74.6 -45.6 49.6 57.5 71.4 32 32 A L T 4 S+ 0 0 46 -2,-2.9 239,-2.4 238,-0.1 240,-0.5 0.390 79.0 130.3-117.5 -0.4 45.9 58.4 71.3 33 33 A G < - 0 0 27 -4,-2.0 -6,-0.2 237,-0.1 239,-0.2 0.009 60.8-121.8 -64.7 164.8 44.5 56.6 68.2 34 34 A I > - 0 0 7 -8,-2.0 4,-2.4 -12,-0.2 -7,-0.2 0.545 38.2-158.3 -95.5 -8.4 41.4 54.5 68.4 35 35 A G H > - 0 0 31 -8,-2.2 4,-1.7 -9,-0.4 -1,-0.2 0.013 51.7 -46.7 67.0-175.8 42.7 51.0 67.2 36 36 A F H > S+ 0 0 111 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.860 137.7 59.8 -63.3 -35.6 40.6 48.2 65.8 37 37 A T H > S+ 0 0 90 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.934 105.1 46.5 -58.8 -41.2 38.0 48.7 68.7 38 38 A G H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.881 112.8 48.8 -75.3 -34.8 37.3 52.3 67.8 39 39 A V H X S+ 0 0 9 -4,-1.7 4,-3.1 -5,-0.2 5,-0.2 0.935 113.2 49.8 -65.1 -42.5 36.9 51.5 64.0 40 40 A A H X S+ 0 0 0 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.918 112.5 45.2 -61.7 -49.9 34.6 48.6 65.0 41 41 A L H X S+ 0 0 43 -4,-2.8 4,-2.3 -5,-0.2 -1,-0.2 0.895 112.5 54.4 -57.8 -50.1 32.5 50.9 67.3 42 42 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.980 108.7 46.3 -44.8 -56.2 32.5 53.6 64.4 43 43 A F H X S+ 0 0 4 -4,-3.1 4,-1.5 1,-0.3 5,-0.2 0.930 113.2 48.5 -65.3 -39.6 31.1 51.3 61.8 44 44 A G H X S+ 0 0 0 -4,-1.9 4,-2.4 -5,-0.2 -1,-0.3 0.880 109.7 52.8 -63.6 -36.9 28.4 49.9 64.1 45 45 A L H X S+ 0 0 1 -4,-2.3 4,-2.8 2,-0.2 5,-0.4 0.856 100.4 60.7 -73.6 -27.3 27.4 53.4 65.2 46 46 A T H X S+ 0 0 2 -4,-2.2 4,-2.4 -5,-0.2 5,-0.3 0.977 112.9 40.7 -60.9 -36.4 27.0 54.6 61.4 47 47 A V H X S+ 0 0 6 -4,-1.5 4,-2.1 1,-0.2 5,-0.3 0.906 114.1 50.2 -80.5 -42.5 24.3 51.8 61.1 48 48 A L H X S+ 0 0 2 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.967 115.6 43.1 -59.1 -44.9 22.7 52.4 64.4 49 49 A T H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.901 119.2 39.5 -71.5 -45.3 22.4 56.1 63.9 50 50 A M H X>S+ 0 0 0 -4,-2.4 4,-3.1 -5,-0.4 5,-1.0 0.771 110.1 61.8 -77.0 -19.9 21.1 56.1 60.2 51 51 A A H X5S+ 0 0 17 -4,-2.1 4,-1.5 -5,-0.3 5,-0.4 0.974 110.7 40.0 -66.5 -42.6 18.9 53.1 60.9 52 52 A Y H <5S+ 0 0 6 -4,-2.3 4,-0.3 -5,-0.3 -2,-0.2 0.920 120.0 46.5 -64.0 -46.1 17.1 55.2 63.5 53 53 A A H <5S+ 0 0 1 -4,-2.1 -2,-0.2 -5,-0.2 -3,-0.2 0.940 137.2 0.9 -68.5 -44.0 17.2 58.4 61.1 54 54 A V H >X>S+ 0 0 0 -4,-3.1 3,-2.6 -5,-0.1 4,-1.8 0.466 99.8 98.1-127.4 0.3 16.1 56.7 57.8 55 55 A G H 3X> S- 0 0 3 1,-0.1 4,-1.8 123,-0.1 3,-0.9 -0.798 75.2-140.0-179.6 114.2 24.4 47.2 52.0 64 64 A P H 3> S+ 0 0 1 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.809 105.9 55.3 -57.5 -32.7 23.8 45.2 48.9 65 65 A A H 3> S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.817 106.8 50.4 -75.5 -29.3 24.2 41.9 50.8 66 66 A V H <> S+ 0 0 5 -3,-0.9 4,-3.1 2,-0.2 5,-0.3 0.927 109.6 50.1 -63.9 -48.9 21.5 43.0 53.2 67 67 A S H X S+ 0 0 0 -4,-1.8 4,-1.6 1,-0.2 -2,-0.2 0.932 113.2 47.7 -57.7 -42.7 19.1 43.9 50.3 68 68 A V H X S+ 0 0 25 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.933 113.2 47.5 -64.1 -44.7 19.8 40.4 48.8 69 69 A G H X S+ 0 0 0 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.913 111.6 48.3 -67.1 -41.7 19.2 38.6 52.1 70 70 A L H <>S+ 0 0 15 -4,-3.1 5,-2.3 2,-0.2 6,-1.1 0.817 112.2 51.3 -67.6 -30.6 16.0 40.4 52.8 71 71 A T H ><5S+ 0 0 28 -4,-1.6 3,-2.0 -5,-0.3 -2,-0.2 0.966 110.6 47.8 -67.5 -47.8 14.9 39.6 49.2 72 72 A V H 3<5S+ 0 0 51 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.822 109.9 54.1 -60.7 -29.2 15.7 35.9 49.7 73 73 A A T 3<5S- 0 0 8 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.558 114.6-118.7 -82.6 -4.8 13.8 36.0 53.0 74 74 A G T < 5S+ 0 0 66 -3,-2.0 -3,-0.2 -4,-0.2 -2,-0.1 0.689 86.1 113.7 73.9 16.5 10.7 37.4 51.2 75 75 A R S - 0 0 75 0, 0.0 3,-2.5 0, 0.0 4,-0.5 -0.367 19.9-139.7 -68.6 128.3 10.5 43.0 46.6 78 78 A A G >> S+ 0 0 69 1,-0.3 3,-1.5 2,-0.2 4,-0.5 0.837 99.8 71.8 -56.6 -25.0 13.1 41.6 44.2 79 79 A S G 34 S+ 0 0 104 1,-0.3 -1,-0.3 2,-0.1 3,-0.0 0.651 97.8 47.7 -68.0 -14.2 12.1 44.5 41.9 80 80 A S G <> S+ 0 0 11 -3,-2.5 4,-2.4 2,-0.1 -1,-0.3 0.500 87.9 90.9 -99.9 -3.4 13.8 47.1 44.2 81 81 A L H <> S+ 0 0 37 -3,-1.5 4,-2.7 -4,-0.5 5,-0.2 0.954 85.8 43.3 -59.5 -56.7 17.0 45.2 44.6 82 82 A V H X S+ 0 0 101 -4,-0.5 4,-2.5 1,-0.2 -1,-0.2 0.907 114.2 48.8 -60.5 -48.9 19.0 46.7 41.7 83 83 A P H > S+ 0 0 47 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.944 112.6 49.7 -55.8 -47.5 18.0 50.3 42.3 84 84 A Y H X S+ 0 0 3 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.935 110.1 51.6 -57.2 -43.0 18.9 49.9 46.1 85 85 A V H X S+ 0 0 26 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.909 111.1 47.6 -63.6 -35.8 22.3 48.3 45.0 86 86 A I H X S+ 0 0 112 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.874 111.5 48.9 -69.4 -43.3 23.0 51.3 42.7 87 87 A A H X S+ 0 0 12 -4,-2.5 4,-2.0 -5,-0.2 -1,-0.2 0.863 114.0 48.4 -61.0 -37.1 22.0 53.9 45.4 88 88 A Q H X S+ 0 0 0 -4,-2.2 4,-2.0 -5,-0.2 -2,-0.2 0.893 111.5 46.1 -72.2 -48.0 24.3 52.1 47.9 89 89 A V H X S+ 0 0 27 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.811 111.7 54.2 -66.8 -30.9 27.3 51.8 45.7 90 90 A A H X S+ 0 0 35 -4,-1.7 4,-2.5 -5,-0.2 5,-0.2 0.903 107.4 49.3 -68.4 -44.9 26.9 55.4 44.7 91 91 A G H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.922 111.7 50.2 -58.3 -42.9 26.9 56.6 48.4 92 92 A A H X S+ 0 0 0 -4,-2.0 4,-3.0 2,-0.2 -2,-0.2 0.930 112.3 46.0 -62.0 -46.0 30.0 54.5 49.1 93 93 A I H X S+ 0 0 61 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.917 113.3 48.3 -64.6 -43.1 31.9 56.0 46.1 94 94 A V H X S+ 0 0 67 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.924 114.0 47.8 -67.1 -38.2 30.8 59.6 46.9 95 95 A A H X S+ 0 0 0 -4,-2.5 4,-2.6 -5,-0.2 5,-0.2 0.935 109.0 53.4 -65.4 -42.6 31.9 59.0 50.6 96 96 A A H X S+ 0 0 0 -4,-3.0 4,-2.3 1,-0.2 -1,-0.2 0.907 111.1 47.9 -56.7 -39.5 35.3 57.5 49.5 97 97 A A H X S+ 0 0 33 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.813 110.3 49.1 -71.1 -36.6 35.8 60.6 47.4 98 98 A A H X S+ 0 0 23 -4,-1.8 4,-2.5 2,-0.2 5,-0.2 0.925 113.0 48.4 -70.6 -44.5 35.0 63.0 50.2 99 99 A L H X S+ 0 0 0 -4,-2.6 4,-3.4 2,-0.2 5,-0.2 0.908 110.7 52.9 -56.1 -43.1 37.3 61.1 52.5 100 100 A Y H X S+ 0 0 94 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.957 110.0 45.6 -59.8 -49.3 40.0 61.3 49.7 101 101 A V H < S+ 0 0 81 -4,-2.4 4,-0.3 1,-0.2 -2,-0.2 0.930 118.2 44.0 -58.2 -43.9 39.7 65.1 49.4 102 102 A I H >< S+ 0 0 1 -4,-2.5 3,-1.3 1,-0.2 -2,-0.2 0.926 111.0 53.4 -71.0 -43.8 39.8 65.6 53.1 103 103 A A H >< S+ 0 0 0 -4,-3.4 3,-1.2 1,-0.3 -1,-0.2 0.897 103.9 55.0 -56.4 -43.8 42.6 63.1 53.8 104 104 A T T 3< S+ 0 0 64 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.575 82.9 85.9 -75.4 -3.2 45.0 64.6 51.3 105 105 A G T < S+ 0 0 21 -3,-1.3 258,-1.9 -4,-0.3 2,-0.6 0.395 76.5 84.1 -71.5 7.1 44.6 68.0 53.1 106 106 A K B X S-A 362 0A 69 -3,-1.2 3,-1.4 256,-0.2 256,-0.2 -0.962 96.5-113.0-110.8 116.7 47.4 66.6 55.2 107 107 A A T 3 S- 0 0 96 -2,-0.6 -2,-0.1 254,-0.5 -3,-0.0 -0.128 88.2 -5.5 -53.3 131.5 50.7 67.2 53.6 108 108 A G T 3 S+ 0 0 88 1,-0.2 -1,-0.2 -4,-0.2 2,-0.2 0.779 87.6 166.8 57.1 30.1 52.6 64.2 52.3 109 109 A I < - 0 0 47 -3,-1.4 2,-0.7 -5,-0.1 -1,-0.2 -0.489 33.2-139.1 -73.7 143.3 50.2 61.7 53.8 110 110 A D - 0 0 145 -2,-0.2 4,-0.1 1,-0.1 -1,-0.0 -0.927 11.5-167.5-103.9 111.2 50.4 58.1 52.6 111 111 A L > + 0 0 39 -2,-0.7 3,-1.9 1,-0.2 4,-0.2 0.826 22.9 175.8 -67.5 -29.3 46.8 56.8 52.1 112 112 A G T 3 - 0 0 48 1,-0.3 -1,-0.2 2,-0.1 -3,-0.0 -0.430 68.4 -8.1 64.9-132.6 48.1 53.2 51.9 113 113 A G T > S- 0 0 31 -2,-0.2 3,-2.3 3,-0.1 -1,-0.3 0.571 85.2-142.0 -72.1 -10.6 45.3 50.6 51.6 114 114 A F T < - 0 0 7 -3,-1.9 -2,-0.1 1,-0.3 -90,-0.1 0.830 64.1 -59.2 51.4 39.3 42.8 53.4 52.2 115 115 A A T 3 S+ 0 0 17 1,-0.2 -1,-0.3 -4,-0.2 76,-0.1 0.633 93.1 156.3 65.9 16.6 40.6 51.0 54.4 116 116 A S < - 0 0 1 -3,-2.3 2,-0.3 75,-0.2 -1,-0.2 -0.371 44.4-118.4 -64.2 145.5 40.2 48.7 51.4 117 117 A N + 0 0 6 71,-0.2 2,-0.3 82,-0.1 63,-0.2 -0.686 44.6 161.9 -82.7 145.2 39.3 45.1 52.3 118 118 A G - 0 0 0 61,-0.7 2,-0.2 -2,-0.3 63,-0.2 -0.932 25.3-146.1-153.4 175.6 41.8 42.4 51.2 119 119 A Y > + 0 0 32 -2,-0.3 3,-2.7 4,-0.1 2,-0.2 -0.854 65.4 10.2-141.1 176.7 43.1 38.8 51.7 120 120 A G G > S+ 0 0 22 7,-2.0 3,-1.4 1,-0.3 6,-0.2 -0.322 138.4 5.9 47.6-115.5 46.4 36.9 51.5 121 121 A E G 3 S+ 0 0 176 1,-0.2 -1,-0.3 -2,-0.2 7,-0.1 0.735 139.7 49.7 -63.8 -22.5 49.2 39.5 51.3 122 122 A H G < S+ 0 0 55 -3,-2.7 -1,-0.2 5,-0.1 -2,-0.2 0.312 83.4 104.3-106.1 11.4 46.6 42.2 51.7 123 123 A S S X S- 0 0 6 -3,-1.4 3,-2.0 4,-0.2 56,-0.2 -0.804 77.3-130.7 -80.9 127.9 45.0 40.7 54.8 124 124 A P T 3 S+ 0 0 66 0, 0.0 54,-0.2 0, 0.0 -1,-0.1 0.836 109.8 34.6 -48.1 -34.2 46.1 42.7 57.8 125 125 A G T 3 S- 0 0 47 52,-1.7 53,-0.1 53,-0.1 -4,-0.1 0.336 116.5-109.7-109.4 6.1 47.0 39.4 59.5 126 126 A G < + 0 0 55 -3,-2.0 2,-0.2 1,-0.2 -5,-0.1 0.807 58.1 164.9 77.2 24.8 48.1 37.5 56.4 127 127 A Y - 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0 0 4 22,-0.2 4,-1.9 1,-0.1 5,-0.2 -0.765 66.1-160.4-168.4 101.0 29.1 44.9 52.5 185 185 A P H > S+ 0 0 0 0, 0.0 4,-1.9 0, 0.0 -1,-0.1 0.895 96.2 50.7 -60.7 -41.4 30.0 44.9 48.8 186 186 A A H > S+ 0 0 0 2,-0.2 4,-1.6 1,-0.2 -123,-0.1 0.906 106.9 53.5 -58.6 -42.3 29.3 48.6 48.5 187 187 A R H > S+ 0 0 6 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.859 113.1 45.0 -68.7 -27.7 31.6 49.5 51.5 188 188 A S H X S+ 0 0 2 -4,-1.9 4,-1.7 18,-0.2 -1,-0.2 0.858 107.5 59.2 -77.8 -32.1 34.4 47.6 49.8 189 189 A T H X S+ 0 0 12 -4,-1.9 4,-1.6 -5,-0.2 -2,-0.2 0.926 100.5 51.8 -68.3 -47.0 33.9 49.1 46.2 190 190 A G H X S+ 0 0 0 -4,-1.6 4,-0.9 1,-0.2 -1,-0.2 0.907 112.8 42.8 -56.9 -53.2 34.4 52.8 47.0 191 191 A Q H >X S+ 0 0 0 -4,-0.7 4,-1.1 1,-0.2 3,-0.9 0.930 114.2 52.5 -59.9 -49.1 37.7 52.5 48.8 192 192 A A H 3X S+ 0 0 3 -4,-1.7 4,-2.5 1,-0.3 8,-0.3 0.776 102.3 58.7 -56.4 -30.9 39.0 50.0 46.2 193 193 A L H 3< S+ 0 0 82 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.831 107.5 47.5 -72.2 -27.3 38.2 52.3 43.3 194 194 A F H << S+ 0 0 80 -4,-0.9 -1,-0.2 -3,-0.9 -2,-0.2 0.720 117.8 40.7 -83.8 -21.4 40.5 54.9 44.9 195 195 A V H < S+ 0 0 45 -4,-1.1 -2,-0.2 -82,-0.1 -3,-0.2 0.764 83.0 176.9 -91.7 -33.4 43.3 52.5 45.5 196 196 A G >X + 0 0 15 -4,-2.5 3,-1.3 -5,-0.2 4,-0.6 -0.276 46.7 69.8 53.4-150.1 43.1 50.6 42.2 197 197 A G H >> S- 0 0 49 1,-0.3 4,-1.8 2,-0.2 3,-0.6 -0.099 118.4 -1.3 48.3-134.7 45.8 47.9 41.9 198 198 A W H 3> S+ 0 0 55 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.857 129.6 64.4 -55.9 -36.2 45.5 45.0 44.2 199 199 A A H <> S+ 0 0 2 -3,-1.3 4,-0.7 1,-0.2 -1,-0.2 0.908 107.1 42.5 -55.5 -45.8 42.3 46.5 45.8 200 200 A L H << S+ 0 0 72 -3,-0.6 3,-0.4 -4,-0.6 4,-0.4 0.882 111.4 55.6 -68.0 -31.5 40.5 46.2 42.5 201 201 A Q H < S+ 0 0 142 -4,-1.8 3,-0.3 1,-0.2 -2,-0.2 0.839 113.6 39.9 -73.9 -27.3 41.9 42.7 41.9 202 202 A Q H >X S+ 0 0 17 -4,-2.3 3,-1.6 1,-0.2 4,-0.6 0.585 89.4 96.0 -93.6 -8.8 40.6 41.4 45.2 203 203 A L T >< S+ 0 0 22 -4,-0.7 3,-1.1 -3,-0.4 4,-0.4 0.785 70.8 67.2 -58.0 -30.9 37.2 43.2 45.0 204 204 A W T >> S+ 0 0 116 -4,-0.4 4,-3.0 -3,-0.3 3,-1.2 0.833 92.9 60.5 -57.0 -39.7 35.3 40.3 43.6 205 205 A L H <> S+ 0 0 0 -3,-1.6 4,-2.3 1,-0.2 -1,-0.3 0.852 102.4 52.6 -57.7 -32.0 35.8 38.4 46.8 206 206 A F H << S+ 0 0 2 -3,-1.1 -1,-0.2 -4,-0.6 -18,-0.2 0.401 112.9 43.2 -93.9 1.6 33.9 41.1 48.7 207 207 A W H <> S+ 0 0 73 -3,-1.2 4,-1.5 -4,-0.4 -2,-0.2 0.732 118.1 43.6 -97.3 -51.8 31.0 41.0 46.5 208 208 A L H X S+ 0 0 84 -4,-3.0 4,-1.9 1,-0.2 5,-0.2 0.932 115.0 45.3 -61.6 -52.4 30.8 37.2 46.2 209 209 A A H X S+ 0 0 0 -4,-2.3 4,-2.2 -5,-0.3 -1,-0.2 0.893 113.5 45.9 -66.6 -43.0 31.3 36.2 49.9 210 210 A P H > S+ 0 0 0 0, 0.0 4,-3.5 0, 0.0 5,-0.2 0.899 113.6 51.5 -66.9 -34.8 28.9 38.7 51.6 211 211 A I H X S+ 0 0 50 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.889 112.2 44.6 -69.1 -38.0 26.2 38.0 49.1 212 212 A V H X S+ 0 0 66 -4,-1.9 4,-2.5 -5,-0.2 -1,-0.2 0.887 116.1 47.8 -69.4 -39.1 26.5 34.2 49.6 213 213 A G H X S+ 0 0 0 -4,-2.2 4,-2.4 -5,-0.2 5,-0.2 0.959 113.5 47.8 -66.7 -46.1 26.6 34.8 53.5 214 214 A G H X S+ 0 0 0 -4,-3.5 4,-1.6 1,-0.2 -2,-0.2 0.891 114.3 45.6 -62.3 -42.7 23.5 37.2 53.3 215 215 A A H X S+ 0 0 28 -4,-2.0 4,-1.9 -5,-0.2 -1,-0.2 0.927 113.7 50.4 -64.9 -45.0 21.5 34.7 51.1 216 216 A A H X S+ 0 0 36 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.863 108.3 51.0 -61.1 -42.8 22.5 31.8 53.4 217 217 A G H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.885 109.3 52.4 -63.4 -36.5 21.5 33.6 56.6 218 218 A A H X S+ 0 0 0 -4,-1.6 4,-2.1 -5,-0.2 -2,-0.2 0.908 110.2 47.1 -60.4 -43.2 18.1 34.3 54.9 219 219 A V H X S+ 0 0 67 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.928 114.3 47.0 -69.4 -42.5 17.6 30.6 54.1 220 220 A I H X S+ 0 0 84 -4,-2.5 4,-1.1 1,-0.2 5,-0.3 0.930 111.1 51.8 -63.3 -43.8 18.6 29.5 57.6 221 221 A W H >X>S+ 0 0 16 -4,-2.6 4,-3.2 1,-0.2 5,-1.6 0.906 106.6 54.4 -58.6 -42.6 16.3 32.2 59.1 222 222 A K H 3<5S+ 0 0 85 -4,-2.1 5,-0.4 1,-0.2 -1,-0.2 0.888 103.5 57.1 -63.4 -35.8 13.4 31.0 57.0 223 223 A L H 3<5S+ 0 0 132 -4,-1.7 -1,-0.2 1,-0.1 -2,-0.2 0.797 130.9 0.2 -67.2 -28.8 13.8 27.4 58.3 224 224 A F H <<5S+ 0 0 148 -4,-1.1 -2,-0.2 -3,-0.7 -3,-0.2 0.602 129.8 40.8-139.0 -13.4 13.4 28.3 62.0 225 225 A G T <5S+ 0 0 2 -4,-3.2 -3,-0.2 -5,-0.3 -4,-0.1 0.814 96.4 61.3-110.2 -38.7 12.9 31.9 62.7 226 226 A E S > - 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0 0 53 0, 0.0 3,-1.3 0, 0.0 4,-0.2 -0.196 42.9 -96.0 -67.0 144.4 9.1 55.5 68.9 392 157 B A T 3 S+ 0 0 105 1,-0.2 -6,-0.1 2,-0.1 -4,-0.0 -0.210 103.4 34.6 -51.3 138.7 9.5 58.0 71.8 393 158 B G T 3 S+ 0 0 43 -3,-0.1 4,-0.3 -7,-0.0 -1,-0.2 0.122 91.7 86.4 108.7 -20.7 12.5 57.6 74.0 394 159 B F X> + 0 0 24 -3,-1.3 4,-1.9 -9,-0.2 3,-0.8 0.664 66.0 83.3 -87.3 -20.1 15.1 56.3 71.5 395 160 B A H 3> S+ 0 0 17 -10,-0.3 4,-3.1 -4,-0.2 5,-0.4 0.847 83.7 57.7 -50.2 -44.6 16.4 59.7 70.2 396 161 B P H 3> S+ 0 0 15 0, 0.0 4,-2.2 0, 0.0 5,-0.3 0.862 109.6 47.3 -60.2 -34.5 18.9 60.4 73.1 397 162 B I H <> S+ 0 0 35 -3,-0.8 4,-2.1 -4,-0.3 5,-0.2 0.931 115.6 41.7 -72.9 -44.6 20.6 57.1 72.3 398 163 B A H X S+ 0 0 0 -4,-1.9 4,-1.8 2,-0.2 5,-0.2 0.964 121.1 44.0 -64.9 -45.7 20.8 57.7 68.4 399 164 B I H X S+ 0 0 18 -4,-3.1 4,-1.9 2,-0.2 -2,-0.2 0.948 116.4 44.2 -67.7 -48.1 21.8 61.4 68.9 400 165 B G H X S+ 0 0 0 -4,-2.2 4,-1.4 -5,-0.4 -1,-0.2 0.935 116.0 47.2 -66.6 -39.2 24.3 60.8 71.7 401 166 B L H X S+ 0 0 33 -4,-2.1 4,-2.3 -5,-0.3 -1,-0.2 0.820 106.9 58.1 -70.8 -26.0 26.0 57.9 70.0 402 167 B A H X S+ 0 0 0 -4,-1.8 4,-2.8 -5,-0.2 -1,-0.2 0.911 105.7 50.9 -68.4 -37.2 26.1 59.8 66.7 403 168 B L H X S+ 0 0 6 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.886 108.3 50.2 -66.6 -34.4 28.1 62.4 68.5 404 169 B T H X S+ 0 0 2 -4,-1.4 4,-2.2 2,-0.2 5,-0.2 0.950 111.2 50.1 -65.5 -44.7 30.5 59.7 69.8 405 170 B L H X S+ 0 0 0 -4,-2.3 4,-1.7 1,-0.2 3,-0.3 0.958 106.9 55.1 -58.0 -46.0 30.8 58.5 66.2 406 171 B I H X S+ 0 0 0 -4,-2.8 4,-2.0 1,-0.3 -1,-0.2 0.856 109.4 46.6 -59.5 -37.1 31.6 62.0 64.9 407 172 B H H X S+ 0 0 3 -4,-1.7 4,-1.8 1,-0.2 -1,-0.3 0.815 106.6 57.8 -73.4 -34.9 34.5 62.3 67.4 408 173 B L H < S+ 0 0 0 -4,-2.2 -2,-0.2 -3,-0.3 -1,-0.2 0.832 114.8 39.6 -56.7 -36.5 35.8 58.9 66.4 409 174 B I H < S+ 0 0 0 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.923 127.3 25.4 -76.8 -44.7 36.1 60.1 62.8 410 175 B S H >X>S+ 0 0 0 -4,-2.0 4,-2.1 -5,-0.2 3,-1.3 0.470 80.5 99.6-118.4 -1.7 37.3 63.7 63.2 411 176 B I H 3X5S+ 0 0 4 -4,-1.8 4,-2.3 4,-0.3 5,-0.2 0.952 89.7 52.9 -53.3 -44.5 39.3 64.3 66.4 412 177 B P H 345S+ 0 0 0 0, 0.0 -52,-1.9 0, 0.0 -50,-0.4 0.792 113.1 46.3 -57.8 -23.8 42.5 64.0 64.4 413 178 B V H <45S- 0 0 0 -3,-1.3 -51,-0.3 -54,-0.2 -2,-0.2 0.952 140.7 -12.5 -88.8 -51.3 41.3 66.6 62.0 414 179 B T H <5S- 0 0 0 -4,-2.1 -61,-1.3 -56,-0.2 -3,-0.2 0.307 88.8-103.7-129.7 6.8 39.9 69.5 64.1 415 180 B N S < - 0 0 5 22,-0.2 4,-1.6 -119,-0.1 3,-0.2 -0.741 65.7-160.8-170.5 98.8 29.2 72.9 68.1 420 185 B P H > S+ 0 0 0 0, 0.0 4,-1.6 0, 0.0 21,-0.1 0.815 94.4 52.9 -64.0 -34.9 30.1 76.6 68.1 421 186 B A H > S+ 0 0 0 2,-0.2 4,-1.6 1,-0.2 -123,-0.1 0.897 107.1 52.3 -66.6 -38.9 29.4 77.0 71.9 422 187 B R H > S+ 0 0 6 1,-0.2 4,-0.8 -3,-0.2 -1,-0.2 0.879 112.0 46.0 -63.8 -38.0 31.6 74.1 72.8 423 188 B S H X S+ 0 0 2 -4,-1.6 4,-1.6 18,-0.2 -71,-0.2 0.813 108.3 59.2 -70.2 -33.9 34.5 75.6 70.7 424 189 B T H X S+ 0 0 12 -4,-1.6 4,-1.8 -5,-0.2 -2,-0.2 0.921 99.2 50.6 -69.3 -49.5 34.0 79.1 72.2 425 190 B G H X S+ 0 0 0 -4,-1.6 4,-0.9 1,-0.2 -1,-0.2 0.930 114.3 44.1 -57.9 -50.1 34.4 78.5 76.1 426 191 B Q H >X S+ 0 0 0 -4,-0.8 4,-1.9 1,-0.2 3,-0.8 0.916 113.1 52.3 -58.7 -46.2 37.8 76.6 75.7 427 192 B A H 3X S+ 0 0 2 -4,-1.6 4,-2.6 1,-0.3 8,-0.2 0.794 101.5 59.0 -68.2 -31.3 39.1 79.2 73.1 428 193 B L H 3< S+ 0 0 89 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.820 109.0 45.7 -68.5 -25.7 38.4 82.1 75.3 429 194 B F H << S+ 0 0 81 -4,-0.9 -2,-0.2 -3,-0.8 -1,-0.2 0.853 116.9 42.9 -85.2 -34.3 40.7 80.6 78.0 430 195 B V H < S+ 0 0 44 -4,-1.9 -2,-0.2 -82,-0.2 -3,-0.2 0.879 86.5 177.6 -74.8 -35.7 43.5 79.8 75.5 431 196 B G >< + 0 0 16 -4,-2.6 3,-1.7 -5,-0.2 4,-0.5 -0.262 45.6 64.6 61.9-156.6 43.2 83.1 73.7 432 197 B G T >> S+ 0 0 57 1,-0.3 4,-2.1 2,-0.2 3,-0.8 -0.167 118.4 3.1 54.5-133.9 45.8 83.6 70.8 433 198 B W H 3> S+ 0 0 59 1,-0.3 4,-2.5 2,-0.2 -1,-0.3 0.776 129.7 60.4 -57.7 -31.0 45.4 81.1 67.9 434 199 B A H <4 S+ 0 0 1 -3,-1.7 4,-0.4 2,-0.2 -1,-0.3 0.862 110.1 40.8 -69.8 -37.6 42.3 79.5 69.5 435 200 B L H <4 S+ 0 0 74 -3,-0.8 4,-0.4 -4,-0.5 3,-0.2 0.845 114.9 54.1 -73.1 -33.3 40.4 82.9 69.4 436 201 B Q H < S+ 0 0 152 -4,-2.1 3,-0.4 1,-0.2 -2,-0.2 0.887 115.2 36.9 -71.4 -33.0 41.9 83.6 66.0 437 202 B Q S >X S+ 0 0 21 -4,-2.5 3,-1.6 1,-0.2 4,-0.6 0.528 90.5 96.8 -92.8 -5.6 40.7 80.2 64.5 438 203 B L H >> + 0 0 26 -4,-0.4 3,-1.6 1,-0.3 4,-0.5 0.839 67.4 72.2 -57.3 -33.8 37.4 80.3 66.4 439 204 B W H >> S+ 0 0 109 -4,-0.4 4,-2.8 -3,-0.4 3,-1.2 0.845 91.6 58.8 -48.6 -38.3 35.5 81.8 63.4 440 205 B L H <> S+ 0 0 0 -3,-1.6 4,-2.4 1,-0.3 -1,-0.3 0.839 100.6 53.7 -66.5 -28.5 35.7 78.5 61.6 441 206 B F H << S+ 0 0 0 -3,-1.6 -1,-0.3 -4,-0.6 -18,-0.2 0.396 112.3 44.8 -95.2 5.5 33.9 76.6 64.3 442 207 B W H S+ 0 0 0 0, 0.0 4,-3.7 0, 0.0 5,-0.3 0.945 116.5 48.2 -61.4 -43.5 28.9 73.7 62.0 446 211 B I H X S+ 0 0 50 -4,-1.6 4,-2.3 1,-0.2 5,-0.2 0.925 113.9 46.4 -66.2 -42.5 26.2 76.3 61.4 447 212 B V H X S+ 0 0 62 -4,-2.6 4,-2.7 -5,-0.2 -1,-0.2 0.924 116.0 45.7 -60.2 -46.9 26.5 75.9 57.6 448 213 B G H X S+ 0 0 0 -4,-2.4 4,-3.2 -5,-0.2 5,-0.2 0.938 111.3 52.5 -65.5 -44.5 26.5 72.0 58.0 449 214 B G H X S+ 0 0 0 -4,-3.7 4,-2.2 2,-0.2 -1,-0.2 0.927 112.5 44.5 -57.4 -47.4 23.5 72.2 60.4 450 215 B A H X S+ 0 0 28 -4,-2.3 4,-2.5 -5,-0.3 -2,-0.2 0.951 114.2 50.1 -60.7 -44.9 21.5 74.2 57.9 451 216 B A H X S+ 0 0 35 -4,-2.7 4,-3.0 1,-0.2 5,-0.3 0.939 109.8 50.8 -61.9 -44.2 22.6 71.9 55.0 452 217 B G H X S+ 0 0 0 -4,-3.2 4,-2.7 1,-0.2 -1,-0.2 0.926 111.4 48.5 -58.2 -43.0 21.6 68.8 57.0 453 218 B A H X S+ 0 0 0 -4,-2.2 4,-2.6 -5,-0.2 -1,-0.2 0.907 111.5 49.0 -62.4 -41.8 18.2 70.4 57.6 454 219 B V H X S+ 0 0 73 -4,-2.5 4,-1.4 1,-0.2 -2,-0.2 0.968 113.0 47.4 -65.6 -49.4 17.7 71.3 53.9 455 220 B I H X S+ 0 0 51 -4,-3.0 4,-1.1 1,-0.2 5,-0.4 0.915 110.6 52.7 -53.8 -43.9 18.6 67.8 52.9 456 221 B W H >X>S+ 0 0 0 -4,-2.7 4,-3.1 -5,-0.3 5,-1.2 0.936 105.4 52.8 -62.5 -48.3 16.3 66.3 55.5 457 222 B K H 3<5S+ 0 0 96 -4,-2.6 5,-0.3 1,-0.2 -1,-0.2 0.835 102.7 63.1 -59.0 -28.2 13.3 68.3 54.3 458 223 B L H 3<5S- 0 0 132 -4,-1.4 -1,-0.2 -3,-0.2 -2,-0.2 0.884 130.0 -7.0 -63.0 -39.1 13.9 67.0 50.8 459 224 B F H <<5S+ 0 0 3 -4,-1.1 -2,-0.2 -3,-0.8 -3,-0.1 0.588 128.5 50.7-133.5 -19.3 13.3 63.3 51.5 460 225 B G T <5S+ 0 0 0 -4,-3.1 -3,-0.2 -5,-0.4 -4,-0.1 0.834 93.4 59.4 -99.8 -35.0 12.8 62.6 55.2 461 226 B E < 0 0 57 -5,-1.2 -4,-0.1 -74,-0.0 -3,-0.1 0.919 360.0 360.0 -73.4 -44.2 10.2 64.8 56.8 462 227 B K 0 0 199 -5,-0.3 -4,-0.0 0, 0.0 -3,-0.0 -0.036 360.0 360.0 -63.4 360.0 7.0 64.1 54.8