==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANKYRIN BINDING 05-JUN-98 1BG5 . COMPND 2 MOLECULE: FUSION PROTEIN OF ALPHA-NA,K-ATPASE WITH . SOURCE 2 FRAGMENT: RESIDUES 219-254; . AUTHOR Z.ZHANG,P.DEVARAJAN,J.S.MORROW . 254 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15186.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 133 52.4 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 . 2 0.8 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 . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 . 17 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 61 24.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.2 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 1 1 2 1 0 0 0 0 0 0 1 0 0 0 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 . 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 0 145 0, 0.0 27,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 53.5 44.8 54.5 68.2 2 2 A S + 0 0 56 1,-0.7 26,-0.1 57,-0.0 59,-0.1 -0.572 360.0 87.1 159.5 -81.5 46.5 56.5 65.4 3 3 A P - 0 0 1 0, 0.0 26,-3.6 0, 0.0 -1,-0.7 -0.077 63.8-149.6 -45.7 142.0 44.4 56.9 62.3 4 4 A I B -a 29 0A 39 55,-0.4 55,-0.5 24,-0.2 26,-0.3 -0.964 19.2-172.2-124.6 122.5 42.2 60.0 62.5 5 5 A L + 0 0 0 24,-1.8 2,-1.8 -2,-0.5 52,-1.1 0.943 21.2 165.2 -71.9 -52.9 38.8 60.3 60.8 6 6 A G + 0 0 0 50,-0.1 27,-0.6 1,-0.1 -1,-0.2 -0.478 25.9 121.5 73.8 -83.1 38.1 63.9 61.5 7 7 A Y S S- 0 0 7 -2,-1.8 2,-0.2 50,-0.4 26,-0.2 0.141 72.9 -76.5 24.4-105.6 35.2 64.8 59.1 8 8 A W - 0 0 75 2,-0.3 26,-0.1 24,-0.1 -2,-0.0 -0.773 36.2 -87.0-157.1-161.3 32.4 66.0 61.4 9 9 A K S S+ 0 0 39 24,-0.3 2,-0.1 -2,-0.2 25,-0.1 0.510 88.7 107.3-101.5 -10.7 29.7 64.9 63.8 10 10 A I - 0 0 3 1,-0.1 4,-0.3 23,-0.1 -2,-0.3 -0.394 63.0-140.1 -72.9 147.0 27.2 64.4 61.0 11 11 A K S >> S+ 0 0 0 191,-1.7 3,-1.5 189,-0.3 4,-0.8 0.891 76.9 51.7 -68.4-106.3 26.0 61.0 59.9 12 12 A G T 34 S+ 0 0 0 190,-0.2 193,-0.4 1,-0.2 -2,-0.0 -0.043 99.1 51.8 -38.7 132.1 25.7 60.5 56.1 13 13 A L T 34 S+ 0 0 55 191,-0.1 -1,-0.2 55,-0.0 -2,-0.1 -0.346 129.7 11.5 130.6 -45.7 28.8 61.6 54.3 14 14 A V T <> S+ 0 0 0 -3,-1.5 4,-1.8 -4,-0.3 3,-0.3 0.235 99.8 95.9-141.8 6.0 31.4 59.6 56.2 15 15 A Q H X S+ 0 0 1 -4,-0.8 4,-3.3 1,-0.2 5,-0.2 0.938 78.9 61.9 -66.0 -46.9 29.3 57.2 58.3 16 16 A P H > S+ 0 0 12 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.813 106.4 47.2 -49.4 -31.0 29.8 54.5 55.7 17 17 A T H > S+ 0 0 3 -3,-0.3 4,-1.2 2,-0.2 -2,-0.2 0.926 111.3 50.4 -73.7 -47.4 33.5 54.7 56.5 18 18 A R H >X S+ 0 0 1 -4,-1.8 3,-0.9 2,-0.2 4,-0.8 0.935 109.0 51.5 -54.2 -51.6 32.8 54.6 60.2 19 19 A L H >X S+ 0 0 0 -4,-3.3 3,-2.6 1,-0.3 4,-1.4 0.963 109.6 49.8 -47.9 -58.9 30.6 51.6 59.9 20 20 A L H 3X S+ 0 0 0 -4,-1.7 4,-1.3 1,-0.3 -1,-0.3 0.704 101.7 64.8 -55.3 -22.5 33.4 49.8 57.9 21 21 A L H <<>S+ 0 0 1 -4,-1.2 5,-0.8 -3,-0.9 -1,-0.3 0.715 102.7 47.2 -76.3 -19.4 35.8 50.8 60.7 22 22 A E H X<5S+ 0 0 39 -3,-2.6 3,-2.2 -4,-0.8 -2,-0.2 0.918 106.0 56.4 -84.5 -48.2 33.8 48.6 63.2 23 23 A Y H 3<5S+ 0 0 51 -4,-1.4 -2,-0.2 1,-0.3 -3,-0.1 0.855 105.9 50.4 -50.2 -44.8 33.6 45.5 60.9 24 24 A L T 3<5S- 0 0 26 -4,-1.3 -1,-0.3 1,-0.1 -2,-0.1 0.417 110.4-121.7 -78.0 4.2 37.4 45.3 60.5 25 25 A E T < 5 + 0 0 152 -3,-2.2 -3,-0.2 1,-0.2 -2,-0.1 0.741 54.9 171.2 61.4 22.3 37.8 45.5 64.3 26 26 A E < - 0 0 36 -5,-0.8 2,-0.4 -6,-0.2 -1,-0.2 -0.344 29.1-143.0 -70.4 143.2 39.9 48.6 63.5 27 27 A K + 0 0 101 -3,-0.1 2,-0.3 -2,-0.1 -1,-0.1 -0.881 35.5 144.5-105.2 133.5 41.2 51.0 66.1 28 28 A Y - 0 0 44 -2,-0.4 2,-0.2 -26,-0.1 -24,-0.2 -0.990 37.8-129.7-163.3 162.2 41.3 54.7 65.3 29 29 A E B +a 4 0A 98 -26,-3.6 -24,-1.8 -2,-0.3 2,-0.2 -0.566 28.1 166.2-108.0 175.1 40.9 58.3 66.7 30 30 A E - 0 0 45 -26,-0.3 2,-0.4 -2,-0.2 -26,-0.1 -0.791 30.6-126.1 172.7 144.5 38.8 61.1 65.3 31 31 A H - 0 0 53 -2,-0.2 2,-0.7 0, 0.0 -2,-0.0 -0.817 14.4-149.4-103.1 141.1 37.5 64.5 66.2 32 32 A L - 0 0 62 -2,-0.4 -23,-0.2 -23,-0.1 -24,-0.1 -0.845 19.0-148.4-112.7 90.0 33.8 65.1 65.8 33 33 A Y - 0 0 2 -2,-0.7 -24,-0.3 -27,-0.6 2,-0.3 -0.155 17.1-136.4 -51.8 153.6 33.5 68.8 65.0 34 34 A E >> - 0 0 50 -26,-0.1 3,-1.2 -25,-0.1 4,-1.0 -0.876 22.3 -89.7-123.1 154.9 30.4 70.5 66.3 35 35 A R G >4 S+ 0 0 118 -2,-0.3 3,-1.0 1,-0.3 -1,-0.1 0.713 122.0 7.0 -16.9 -90.6 27.8 72.9 65.0 36 36 A D G 34 S+ 0 0 147 1,-0.3 3,-0.4 2,-0.1 -1,-0.3 0.387 119.6 77.0 -84.4 2.6 29.2 76.3 66.0 37 37 A E G X4 + 0 0 79 -3,-1.2 3,-2.8 1,-0.2 4,-0.4 0.496 67.7 94.1 -84.8 -6.8 32.3 74.5 67.2 38 38 A G T S+ 0 0 91 -3,-0.4 4,-1.0 2,-0.2 -1,-0.3 0.675 84.0 62.6 -92.0 -26.3 34.8 77.6 64.2 40 40 A K H <> S+ 0 0 56 -3,-2.8 4,-0.9 -6,-0.2 -2,-0.2 0.763 98.2 62.3 -66.5 -24.5 37.5 75.2 65.3 41 41 A W H >> S+ 0 0 20 -4,-0.4 3,-2.9 2,-0.2 4,-1.3 0.998 95.5 48.1 -66.9 -75.6 37.5 74.0 61.7 42 42 A R H 3< S+ 0 0 156 -4,-0.8 3,-0.5 1,-0.3 4,-0.2 0.809 116.3 49.5 -32.8 -44.3 38.6 76.9 59.5 43 43 A N H 3< S+ 0 0 78 -4,-1.0 4,-0.3 1,-0.2 -1,-0.3 0.700 115.4 39.6 -74.9 -22.3 41.5 77.4 61.9 44 44 A K H 4 S+ 0 0 140 -4,-0.2 3,-1.1 -3,-0.2 4,-0.2 0.762 98.6 73.3-114.2 -32.1 45.8 73.8 57.6 47 47 A E T 34 S+ 0 0 172 -4,-0.3 -2,-0.1 1,-0.3 -1,-0.1 0.641 90.8 69.8 -60.8 -10.7 48.1 72.9 60.6 48 48 A L T 3< S- 0 0 47 -4,-0.5 -1,-0.3 2,-0.0 3,-0.2 0.014 104.1-120.0 -99.5 28.3 47.5 69.2 59.8 49 49 A G < - 0 0 50 -3,-1.1 2,-0.5 1,-0.2 15,-0.1 0.774 45.3-174.8 38.9 36.2 49.4 68.9 56.5 50 50 A L - 0 0 13 -5,-0.3 2,-0.4 -4,-0.2 -1,-0.2 -0.478 27.0-127.2 -66.1 114.1 46.1 67.9 55.0 51 51 A E S S- 0 0 85 13,-1.7 -1,-0.1 -2,-0.5 -2,-0.0 -0.503 92.6 -5.6 -62.2 115.0 46.7 66.8 51.4 52 52 A F S S- 0 0 168 -2,-0.4 -1,-0.2 14,-0.1 15,-0.2 0.976 103.1-103.4 55.7 85.2 44.1 69.0 49.5 53 53 A P + 0 0 59 0, 0.0 2,-0.2 0, 0.0 -7,-0.1 0.049 68.5 112.5 -36.5 129.6 42.2 70.7 52.5 54 54 A N - 0 0 61 -9,-0.2 3,-0.2 13,-0.1 -4,-0.0 -0.829 57.1 -75.9-168.3-154.7 38.8 69.3 53.2 55 55 A L S S+ 0 0 20 1,-0.5 2,-0.1 -2,-0.2 13,-0.1 -0.670 103.1 44.1-177.2 118.0 36.3 67.4 55.3 56 56 A P S S+ 0 0 8 0, 0.0 11,-0.7 0, 0.0 -1,-0.5 0.499 83.7 171.3 -69.1 153.7 36.3 64.3 55.7 57 57 A Y B -B 66 0B 0 -52,-1.1 -50,-0.4 9,-0.2 2,-0.3 -0.990 19.0-153.8-137.8 144.5 40.0 64.0 56.1 58 58 A Y + 0 0 0 7,-2.5 -53,-0.2 -2,-0.3 2,-0.1 -0.814 13.3 175.1-118.1 156.5 42.3 61.1 57.1 59 59 A I + 0 0 36 -55,-0.5 -55,-0.4 -2,-0.3 5,-0.2 -0.573 12.4 163.5-164.4 89.6 45.7 61.0 58.8 60 60 A D - 0 0 17 3,-1.4 2,-1.2 -57,-0.2 4,-0.1 0.273 62.7-111.7 -90.1 7.6 47.2 57.6 59.7 61 61 A G S S+ 0 0 43 2,-0.9 2,-1.1 -59,-0.1 -1,-0.1 -0.551 114.6 69.0 94.9 -68.2 50.5 59.3 60.0 62 62 A D S S+ 0 0 121 -2,-1.2 2,-0.2 1,-0.1 -1,-0.1 -0.008 119.6 7.8 -73.8 33.8 52.1 57.6 57.0 63 63 A V - 0 0 28 -2,-1.1 -3,-1.4 2,-0.1 -2,-0.9 -0.583 56.2-148.8 155.9 143.6 49.6 59.7 54.9 64 64 A K + 0 0 63 -5,-0.2 -13,-1.7 -2,-0.2 -5,-0.2 -0.642 33.9 179.3-128.8 70.6 47.0 62.5 55.3 65 65 A L - 0 0 52 -2,-0.2 -7,-2.5 -15,-0.1 2,-0.2 -0.123 9.4-160.6 -69.6 169.9 44.4 61.7 52.6 66 66 A T B +B 57 0B 7 -9,-0.2 5,-0.3 -16,-0.1 4,-0.2 -0.690 47.0 63.5-135.5-172.2 41.3 63.7 51.9 67 67 A Q S > S- 0 0 100 -11,-0.7 4,-0.6 -2,-0.2 -9,-0.1 0.233 71.1-116.3 68.0 158.3 38.0 63.0 50.2 68 68 A S H > S+ 0 0 21 2,-0.2 4,-1.0 -13,-0.1 5,-0.2 0.755 105.6 58.4-101.1 -32.4 35.5 60.4 51.5 69 69 A M H 4 S+ 0 0 41 1,-0.2 4,-0.3 2,-0.1 -1,-0.1 0.638 114.1 41.3 -74.1 -13.3 35.4 57.8 48.7 70 70 A A H > S+ 0 0 31 -4,-0.2 4,-3.3 2,-0.1 5,-0.3 0.808 106.2 56.1-102.6 -38.4 39.1 57.3 49.0 71 71 A I H X S+ 0 0 0 -4,-0.6 4,-0.8 -5,-0.3 -2,-0.1 0.761 113.6 44.5 -67.8 -22.7 39.8 57.3 52.8 72 72 A I H X S+ 0 0 2 -4,-1.0 4,-2.3 2,-0.2 -1,-0.2 0.848 114.9 51.1 -82.8 -39.4 37.3 54.4 53.1 73 73 A R H >> S+ 0 0 62 -4,-0.3 4,-2.6 -5,-0.2 3,-1.1 0.995 113.1 41.4 -56.2 -70.5 38.9 52.9 50.1 74 74 A Y H 3X S+ 0 0 62 -4,-3.3 4,-1.2 1,-0.3 -1,-0.2 0.784 115.0 53.8 -48.2 -33.9 42.5 53.0 51.4 75 75 A I H 3< S+ 0 0 2 -4,-0.8 -1,-0.3 -5,-0.3 -2,-0.2 0.881 115.0 41.0 -68.0 -40.6 41.1 52.0 54.8 76 76 A A H X< S+ 0 0 0 -4,-2.3 3,-4.3 -3,-1.1 5,-0.3 0.992 106.7 60.6 -67.7 -66.9 39.5 49.0 53.2 77 77 A D H >< S+ 0 0 56 -4,-2.6 3,-3.8 1,-0.3 5,-0.2 0.712 90.0 68.8 -33.3 -43.3 42.4 48.1 50.8 78 78 A K T 3< S+ 0 0 84 -4,-1.2 -1,-0.3 1,-0.3 -2,-0.1 0.756 103.7 47.9 -54.9 -19.3 44.8 47.4 53.7 79 79 A H T < S- 0 0 67 -3,-4.3 -1,-0.3 -4,-0.1 -2,-0.2 0.115 121.8-113.9-106.5 19.2 42.5 44.5 54.3 80 80 A N S < S+ 0 0 144 -3,-3.8 -3,-0.2 1,-0.1 -2,-0.1 0.795 77.9 127.8 51.5 42.1 42.6 43.5 50.6 81 81 A M + 0 0 37 -5,-0.3 69,-0.3 -8,-0.2 -4,-0.2 0.203 46.2 80.1-108.6 12.4 38.9 44.3 49.9 82 82 A L S S- 0 0 26 1,-0.3 2,-0.3 -5,-0.2 10,-0.2 0.942 102.8 -33.8 -85.0 -54.2 39.2 46.6 46.9 83 83 A G - 0 0 29 1,-0.1 -1,-0.3 -6,-0.1 4,-0.0 -0.911 32.2-157.6-155.6-178.9 39.6 44.2 44.1 84 84 A G S S+ 0 0 45 1,-0.6 -1,-0.1 -2,-0.3 -2,-0.0 0.527 82.7 8.5-131.2 -55.0 41.1 40.9 42.9 85 85 A C S >> S- 0 0 55 1,-0.0 3,-5.7 0, 0.0 4,-0.9 -0.933 89.0 -92.7-131.8 151.5 41.5 41.1 39.2 86 86 A P H 3> S+ 0 0 102 0, 0.0 4,-0.7 0, 0.0 -1,-0.0 0.792 130.7 46.1 -28.7 -47.6 41.0 44.1 36.8 87 87 A K H 34 S+ 0 0 178 1,-0.1 4,-0.1 2,-0.1 -4,-0.0 0.417 107.9 62.0 -82.9 2.9 37.4 43.1 36.3 88 88 A E H X> S+ 0 0 78 -3,-5.7 3,-1.5 2,-0.1 4,-1.4 0.927 101.9 41.8 -90.4 -60.1 36.9 42.6 40.1 89 89 A R H 3< S+ 0 0 98 -4,-0.9 -2,-0.1 1,-0.3 -1,-0.1 0.703 106.4 65.0 -61.1 -24.9 37.5 46.0 41.6 90 90 A A T 3X S+ 0 0 56 -4,-0.7 4,-3.1 -5,-0.3 -1,-0.3 0.724 101.1 52.4 -70.4 -23.9 35.6 47.7 38.8 91 91 A E H <> S+ 0 0 47 -3,-1.5 4,-4.8 2,-0.3 5,-0.4 0.967 110.5 43.1 -73.1 -58.7 32.6 45.8 40.2 92 92 A I H < S+ 0 0 10 -4,-1.4 4,-0.4 1,-0.3 -2,-0.2 0.541 118.8 50.9 -63.5 -4.0 33.1 47.1 43.7 93 93 A S H > S+ 0 0 50 -5,-0.3 4,-3.6 3,-0.2 -2,-0.3 0.809 112.0 41.7 -96.9 -47.2 33.7 50.3 41.8 94 94 A M H X S+ 0 0 101 -4,-3.1 4,-2.7 2,-0.2 -2,-0.2 0.907 118.2 48.4 -66.2 -42.2 30.5 50.0 39.7 95 95 A L H X S+ 0 0 4 -4,-4.8 4,-2.4 2,-0.2 -1,-0.2 0.956 113.3 48.3 -60.1 -51.1 28.7 49.0 42.9 96 96 A E H >> S+ 0 0 9 -4,-0.4 4,-2.1 -5,-0.4 3,-1.2 0.983 115.2 42.6 -50.6 -68.6 30.3 51.9 44.7 97 97 A G H 3X S+ 0 0 44 -4,-3.6 4,-0.7 1,-0.3 -1,-0.2 0.822 111.7 58.3 -48.6 -34.6 29.4 54.3 42.0 98 98 A A H 3< S+ 0 0 21 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.884 109.4 42.9 -64.8 -39.5 26.0 52.6 41.9 99 99 A V H XX S+ 0 0 0 -4,-2.4 3,-3.4 -3,-1.2 4,-1.9 0.946 105.7 57.0 -73.9 -51.4 25.3 53.4 45.6 100 100 A L H 3X>S+ 0 0 31 -4,-2.1 4,-3.2 1,-0.3 5,-0.7 0.753 94.8 75.3 -52.1 -19.6 26.6 57.0 45.8 101 101 A D H 3<5S+ 0 0 87 -4,-0.7 -1,-0.3 -5,-0.3 -2,-0.2 0.607 106.8 29.7 -67.2 -16.7 24.0 57.4 43.1 102 102 A I H <>5S+ 0 0 4 -3,-3.4 4,-0.7 3,-0.1 -2,-0.2 0.747 122.5 50.6-105.2 -50.9 21.3 57.2 45.8 103 103 A R H >X5S+ 0 0 12 -4,-1.9 4,-1.6 1,-0.2 3,-0.7 0.917 118.7 36.2 -51.8 -56.9 23.4 58.6 48.6 104 104 A Y H 3X5S+ 0 0 108 -4,-3.2 4,-2.2 1,-0.3 -1,-0.2 0.900 110.6 60.7 -66.5 -43.9 24.5 61.7 46.7 105 105 A G H 34 S- 0 0 42 -3,-0.4 3,-1.2 -4,-0.1 -1,-0.1 -0.793 76.5-131.5-101.7 143.0 18.3 73.9 50.0 113 113 A K T 3 S+ 0 0 162 -2,-0.4 -1,-0.1 1,-0.3 -3,-0.1 0.334 100.2 80.7 -72.9 8.9 14.9 75.0 51.3 114 114 A D T 3 S+ 0 0 121 -5,-0.1 3,-0.5 2,-0.1 -1,-0.3 0.207 71.8 102.8 -97.6 12.4 13.6 74.3 47.8 115 115 A F < + 0 0 8 -3,-1.2 -5,-0.1 1,-0.2 -6,-0.0 -0.628 46.0 72.9 -90.9 154.0 13.4 70.6 48.9 116 116 A E S S+ 0 0 130 -2,-0.2 -1,-0.2 94,-0.0 -2,-0.1 -0.185 108.2 43.4 126.9 -30.5 10.0 69.2 49.8 117 117 A T S S+ 0 0 100 -3,-0.5 -2,-0.2 2,-0.1 -3,-0.0 0.507 110.3 58.2-110.4 -18.6 9.1 69.2 46.1 118 118 A L S S+ 0 0 62 -4,-0.3 4,-0.5 1,-0.2 5,-0.2 0.873 99.4 52.7 -80.0 -43.8 12.5 67.8 45.1 119 119 A K S >> S+ 0 0 35 1,-0.3 4,-3.2 2,-0.2 2,-2.4 0.922 102.9 67.1 -56.6 -36.9 12.3 64.6 47.2 120 120 A V T 34 S+ 0 0 78 1,-0.3 -1,-0.3 2,-0.2 0, 0.0 -0.536 99.6 47.3 -81.0 72.3 9.1 64.5 45.2 121 121 A D T 34 S+ 0 0 90 -2,-2.4 -1,-0.3 -3,-0.0 -2,-0.2 0.102 123.5 27.8 176.8 -17.9 11.1 64.1 42.0 122 122 A F T X> S+ 0 0 32 -3,-1.9 3,-2.5 -4,-0.5 4,-1.0 0.601 108.0 65.9-124.5 -42.2 13.5 61.3 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153 A F H <> S+ 0 0 2 -3,-2.8 4,-0.7 -4,-0.3 -1,-0.2 0.659 113.9 48.8-101.3 -24.7 28.4 49.7 54.2 154 154 A M H X S+ 0 0 3 -4,-1.6 4,-1.2 2,-0.2 -2,-0.2 0.887 114.6 46.4 -79.0 -41.2 27.7 52.5 51.9 155 155 A L H X S+ 0 0 1 -4,-2.3 4,-1.9 2,-0.2 -3,-0.2 0.871 107.5 54.0 -68.3 -43.8 24.4 51.0 50.7 156 156 A Y H < S+ 0 0 6 -4,-0.5 -1,-0.2 1,-0.3 -2,-0.2 0.849 112.8 46.4 -61.3 -31.7 23.1 50.1 54.1 157 157 A D H >< S+ 0 0 0 -4,-0.7 3,-0.5 1,-0.1 -1,-0.3 0.789 105.4 62.8 -78.6 -27.4 23.7 53.8 55.0 158 158 A A H >< S+ 0 0 3 -4,-1.2 2,-3.4 1,-0.3 3,-1.0 0.984 101.4 48.3 -55.2 -74.1 22.0 54.6 51.7 159 159 A L T 3< S+ 0 0 1 -4,-1.9 -1,-0.3 1,-0.3 -4,-0.1 -0.295 107.2 58.5 -66.2 65.7 18.7 53.1 52.7 160 160 A D T < S+ 0 0 8 -2,-3.4 -1,-0.3 -3,-0.5 -148,-0.1 0.052 105.1 46.6 179.1 24.0 18.8 54.9 56.1 161 161 A V S < S+ 0 0 0 -3,-1.0 -2,-0.2 -149,-0.0 -3,-0.1 0.053 121.7 38.2-155.8 1.8 19.0 58.4 54.7 162 162 A V S > S+ 0 0 5 -4,-0.3 4,-1.5 -5,-0.1 -3,-0.2 0.416 111.8 56.5-129.0 -26.6 16.1 57.7 52.3 163 163 A L T 4 S+ 0 0 28 -5,-0.3 6,-0.1 2,-0.3 -4,-0.1 0.611 102.0 56.5 -83.5 -15.4 14.1 55.5 54.6 164 164 A Y T 4 S+ 0 0 98 2,-0.1 -1,-0.2 1,-0.1 -5,-0.0 0.607 111.6 45.7 -84.5 -15.6 14.0 58.5 57.1 165 165 A M T 4 S+ 0 0 13 1,-0.3 -2,-0.3 -46,-0.0 -1,-0.1 0.761 135.6 7.8 -92.0 -37.5 12.5 60.2 54.0 166 166 A D >X - 0 0 55 -4,-1.5 3,-1.1 1,-0.1 4,-0.6 -0.771 54.0-179.0-152.7 104.4 10.1 57.3 53.2 167 167 A P T 34 S+ 0 0 94 0, 0.0 3,-0.1 0, 0.0 -4,-0.1 0.714 88.5 62.4 -73.6 -20.3 9.6 54.3 55.5 168 168 A M T 34 S+ 0 0 135 1,-0.2 3,-0.5 2,-0.1 4,-0.3 0.526 89.5 74.9 -81.7 -6.2 7.1 52.9 53.0 169 169 A C T X4 S+ 0 0 22 -3,-1.1 2,-2.2 1,-0.2 3,-0.9 0.949 84.2 56.3 -76.3 -49.5 9.9 52.7 50.4 170 170 A L T 3< S+ 0 0 11 -4,-0.6 -1,-0.2 1,-0.2 -2,-0.1 -0.139 93.3 82.0 -76.6 48.5 11.9 49.7 51.6 171 171 A D T 3 S+ 0 0 93 -2,-2.2 -1,-0.2 -3,-0.5 -2,-0.1 0.718 77.5 56.4-116.9 -42.0 8.7 47.7 51.4 172 172 A A S < S+ 0 0 81 -3,-0.9 -2,-0.1 -4,-0.3 -3,-0.1 -0.054 109.6 56.8 -84.3 31.8 8.3 46.7 47.7 173 173 A F > + 0 0 27 -39,-0.0 4,-0.8 -42,-0.0 3,-0.5 -0.614 57.3 170.3-163.0 89.9 11.8 45.1 48.1 174 174 A P H > S+ 0 0 89 0, 0.0 4,-1.6 0, 0.0 5,-0.1 0.580 75.9 68.8 -80.8 -12.4 12.0 42.5 50.9 175 175 A K H > S+ 0 0 76 2,-0.2 4,-1.0 1,-0.2 5,-0.0 0.684 104.6 41.6 -80.2 -17.8 15.5 41.4 49.7 176 176 A L H > S+ 0 0 0 -3,-0.5 4,-2.9 2,-0.2 5,-0.2 0.689 107.2 62.0 -96.7 -27.3 16.9 44.8 50.9 177 177 A V H < S+ 0 0 42 -4,-0.8 4,-0.3 2,-0.2 -2,-0.2 0.937 110.3 40.9 -61.9 -44.8 14.8 44.7 54.0 178 178 A C H X S+ 0 0 49 -4,-1.6 4,-3.7 2,-0.2 3,-0.4 0.918 118.9 45.0 -69.1 -44.8 16.7 41.5 55.0 179 179 A F H X S+ 0 0 0 -4,-1.0 4,-0.9 2,-0.3 5,-0.3 0.987 107.9 55.0 -60.9 -62.0 20.1 42.8 53.8 180 180 A K H < S+ 0 0 40 -4,-2.9 4,-0.3 1,-0.3 -1,-0.2 0.699 120.7 36.6 -45.3 -18.1 19.8 46.2 55.4 181 181 A K H >4 S+ 0 0 106 -3,-0.4 3,-0.7 -4,-0.3 -2,-0.3 0.765 105.1 65.5-101.9 -39.6 19.2 44.1 58.4 182 182 A R H 3< S+ 0 0 78 -4,-3.7 -2,-0.2 1,-0.2 4,-0.2 0.431 103.9 53.2 -63.1 2.1 21.7 41.3 57.6 183 183 A I T 3< S+ 0 0 0 -4,-0.9 3,-0.5 -5,-0.2 -1,-0.2 0.715 104.7 47.2-107.5 -35.1 24.3 44.1 58.1 184 184 A E S < S+ 0 0 44 -3,-0.7 -2,-0.2 -4,-0.3 -3,-0.1 0.152 101.6 78.5 -90.0 17.1 23.3 45.4 61.5 185 185 A A + 0 0 58 -4,-0.1 -1,-0.2 4,-0.0 -2,-0.1 0.769 67.2 90.8 -93.8 -35.4 23.3 41.7 62.3 186 186 A I S >> S- 0 0 31 -3,-0.5 4,-4.0 -4,-0.2 3,-1.2 -0.492 82.5-127.3 -67.0 128.7 27.1 41.2 62.7 187 187 A P H 3> S+ 0 0 93 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.783 108.5 63.5 -45.3 -34.2 28.2 41.7 66.3 188 188 A Q H 34 S+ 0 0 63 2,-0.2 4,-0.4 1,-0.2 -4,-0.1 0.940 118.8 23.4 -59.2 -49.3 30.8 44.1 65.0 189 189 A I H X> S+ 0 0 0 -3,-1.2 4,-1.9 -6,-0.2 3,-1.2 0.896 117.7 65.4 -82.1 -44.5 28.1 46.5 63.7 190 190 A D H 3X S+ 0 0 49 -4,-4.0 4,-1.0 1,-0.3 3,-0.2 0.901 107.4 40.6 -39.3 -58.3 25.4 45.2 66.1 191 191 A K H 3< S+ 0 0 116 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.658 109.0 62.6 -69.8 -19.0 27.3 46.5 69.1 192 192 A Y H X4>S+ 0 0 10 -3,-1.2 3,-1.9 -4,-0.4 6,-0.5 0.917 100.4 49.3 -73.5 -47.2 28.3 49.8 67.4 193 193 A L H 3<5S+ 0 0 42 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.836 115.3 45.3 -61.3 -35.0 24.7 51.1 66.9 194 194 A K T 3<5S+ 0 0 163 -4,-1.0 -1,-0.3 -5,-0.3 2,-0.2 0.147 102.7 104.0 -92.5 17.7 24.0 50.4 70.6 195 195 A S T X 5S- 0 0 46 -3,-1.9 3,-1.0 -5,-0.1 -3,-0.1 -0.558 86.1-114.8 -99.0 164.1 27.4 52.0 71.3 196 196 A S T 3 5S+ 0 0 110 1,-0.2 -3,-0.1 -2,-0.2 -4,-0.1 0.062 112.8 59.1 -83.8 27.0 28.3 55.4 72.8 197 197 A K T 3 S+ 0 0 118 -2,-0.4 5,-2.3 3,-0.1 2,-0.1 -0.557 86.9 140.0 75.8 -79.1 19.5 72.5 59.4 208 208 A A T 5S- 0 0 20 -2,-2.1 -97,-0.3 3,-0.2 -3,-0.1 -0.216 77.2 -84.9 48.0-109.9 19.6 71.7 55.6 209 209 A T T 5S+ 0 0 52 -99,-0.8 -1,-0.2 -5,-0.3 -98,-0.1 0.216 122.5 12.9-156.1 -46.1 16.0 70.7 55.0 210 210 A F T 5S+ 0 0 26 -100,-0.6 -7,-0.3 -6,-0.1 -6,-0.1 0.465 120.3 76.1-111.5 -16.6 15.8 67.0 55.8 211 211 A G T 5 + 0 0 0 -101,-0.8 -8,-0.7 -8,-0.2 -3,-0.2 0.989 63.3 139.1 -56.5 -75.5 19.2 67.4 57.4 212 212 A G < - 0 0 18 -5,-2.3 2,-0.3 -8,-0.2 -8,-0.2 0.036 38.3-140.0 54.8-173.7 18.1 69.1 60.6 213 213 A G + 0 0 17 -7,-0.2 -1,-0.1 -11,-0.1 -12,-0.1 -0.901 53.8 133.9 177.3 152.4 19.7 68.0 63.8 214 214 A D - 0 0 99 -2,-0.3 -1,-0.1 -13,-0.1 -13,-0.1 0.197 61.0-123.7 177.6 3.5 19.7 67.2 67.5 215 215 A H S S+ 0 0 34 -15,-0.1 -14,-0.1 1,-0.1 -16,-0.1 0.321 84.0 10.8 55.3 166.2 21.8 64.0 67.6 216 216 A P S S+ 0 0 91 0, 0.0 -1,-0.1 0, 0.0 -17,-0.0 0.434 102.4 163.1 -8.9 71.2 20.4 60.6 69.0 217 217 A P + 0 0 50 0, 0.0 -2,-0.1 0, 0.0 -3,-0.0 0.010 40.7 147.1 -93.7-167.5 16.9 62.2 69.2 218 218 A K + 0 0 130 4,-0.0 2,-0.8 -2,-0.0 0, 0.0 -0.351 28.1 139.8 170.5 -70.8 13.1 61.6 69.5 219 219 A S + 0 0 131 3,-0.0 3,-0.1 0, 0.0 0, 0.0 -0.144 54.4 70.7 44.6 -86.3 11.5 64.5 71.4 220 220 A D S S- 0 0 140 -2,-0.8 0, 0.0 1,-0.2 0, 0.0 0.180 109.3 -53.5 -50.4 174.8 8.3 65.0 69.5 221 221 A L - 0 0 154 1,-0.1 -1,-0.2 2,-0.0 4,-0.1 -0.273 63.5-150.2 -54.9 139.8 5.4 62.6 69.6 222 222 A V - 0 0 57 -3,-0.1 -1,-0.1 2,-0.1 3,-0.1 -0.404 31.9 -76.2-104.1 179.4 6.6 59.1 68.7 223 223 A P S S+ 0 0 105 0, 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