==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 12-JAN-10 2KSQ . COMPND 2 MOLECULE: ADP-RIBOSYLATION FACTOR 1; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR Y.LIU,R.KAHN,J.PRESTEGARD . 180 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11117.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 128 71.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 13.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 5.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 1 0.6 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 . 18 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 49 27.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 1 0 0 1 1 0 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 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 PARALLEL BRIDGES PER LADDER . 1 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 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 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 G > 0 0 95 0, 0.0 4,-1.8 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -39.1 -6.9 -34.5 10.2 2 3 A L H > + 0 0 166 2,-0.2 4,-1.1 3,-0.1 0, 0.0 0.935 360.0 37.2 -69.6 -48.6 -3.9 -32.5 9.1 3 4 A F H > S+ 0 0 153 2,-0.2 4,-2.2 1,-0.1 5,-0.2 0.923 116.7 52.4 -70.1 -45.9 -5.5 -31.0 6.0 4 5 A A H > S+ 0 0 61 1,-0.2 4,-1.5 2,-0.2 5,-0.2 0.959 108.5 48.8 -54.4 -58.3 -8.9 -30.5 7.7 5 6 A S H X S+ 0 0 77 -4,-1.8 4,-1.2 1,-0.2 -1,-0.2 0.834 109.5 55.4 -52.8 -34.9 -7.5 -28.6 10.7 6 7 A K H >X S+ 0 0 122 -4,-1.1 4,-1.6 1,-0.2 3,-0.9 0.955 103.4 52.4 -63.6 -50.5 -5.5 -26.4 8.3 7 8 A L H 3< S+ 0 0 91 -4,-2.2 4,-0.4 1,-0.3 -1,-0.2 0.793 109.2 52.4 -55.7 -28.8 -8.7 -25.4 6.4 8 9 A F H 3< S+ 0 0 146 -4,-1.5 3,-0.4 -5,-0.2 4,-0.3 0.786 103.7 57.1 -77.3 -29.9 -10.1 -24.4 9.8 9 10 A S H X< S+ 0 0 55 -4,-1.2 3,-1.2 -3,-0.9 -2,-0.2 0.834 97.8 59.9 -70.8 -34.2 -7.1 -22.3 10.6 10 11 A N G >X S+ 0 0 63 -4,-1.6 4,-3.8 1,-0.2 3,-2.7 0.736 83.7 83.5 -66.2 -22.1 -7.5 -20.1 7.5 11 12 A L G 34 S+ 0 0 118 -3,-0.4 -1,-0.2 -4,-0.4 -2,-0.2 0.845 98.3 38.5 -49.8 -37.1 -11.0 -19.1 8.8 12 13 A F G <4 S+ 0 0 161 -3,-1.2 -1,-0.3 -4,-0.3 -2,-0.1 -0.088 126.9 36.8-105.7 33.0 -9.2 -16.5 10.9 13 14 A G T X4 S+ 0 0 42 -3,-2.7 3,-0.7 1,-0.1 -2,-0.2 0.467 96.0 78.2-146.3 -42.6 -6.7 -15.6 8.2 14 15 A N T 3< S+ 0 0 58 -4,-3.8 -1,-0.1 1,-0.2 3,-0.1 -0.329 86.6 37.0 -76.5 160.6 -8.2 -15.7 4.8 15 16 A K T 3 S+ 0 0 121 1,-0.1 46,-1.5 -3,-0.1 2,-0.4 0.518 102.3 91.6 76.0 5.6 -10.4 -12.9 3.3 16 17 A E E < -a 61 0A 89 -3,-0.7 2,-0.4 44,-0.2 46,-0.2 -0.973 52.4-175.6-137.5 122.6 -8.3 -10.3 5.1 17 18 A M E -a 62 0A 12 44,-0.7 46,-1.9 -2,-0.4 2,-0.5 -0.916 17.5-138.6-117.8 143.1 -5.2 -8.6 3.7 18 19 A R E -a 63 0A 100 -2,-0.4 68,-1.8 65,-0.2 67,-1.8 -0.865 23.9-178.9-104.1 130.1 -2.9 -6.2 5.5 19 20 A I E -ab 64 86A 1 44,-3.3 46,-1.5 -2,-0.5 2,-0.4 -0.906 11.9-157.6-127.2 155.3 -1.6 -3.0 3.7 20 21 A L E -ab 65 87A 0 66,-2.0 68,-2.6 -2,-0.3 2,-0.5 -0.988 1.8-159.4-133.3 142.0 0.7 -0.1 4.6 21 22 A M E +ab 66 88A 5 44,-3.4 46,-1.6 -2,-0.4 2,-0.3 -0.960 34.7 124.6-126.0 114.9 0.9 3.4 3.2 22 23 A V E + b 0 89A 0 66,-1.5 68,-1.5 -2,-0.5 2,-0.4 -0.910 9.0 103.5-153.8-180.0 4.1 5.4 3.6 23 24 A G E S+ b 0 90A 0 44,-0.3 2,-0.2 -2,-0.3 68,-0.1 -0.961 70.2 15.1 145.7-125.3 6.9 7.4 1.9 24 25 A L >> - 0 0 10 66,-1.0 3,-0.5 -2,-0.4 4,-0.5 -0.501 63.4-122.9 -86.8 157.3 7.5 11.1 1.6 25 26 A D T 34 S+ 0 0 63 44,-0.5 45,-0.1 1,-0.2 22,-0.1 0.458 112.5 38.3 -76.9 -1.1 5.8 13.8 3.6 26 27 A G T 34 S+ 0 0 50 64,-0.1 -1,-0.2 43,-0.1 65,-0.1 0.371 88.1 91.1-128.9 1.5 4.5 15.4 0.4 27 28 A A T <4 S- 0 0 2 -3,-0.5 66,-0.2 63,-0.2 64,-0.1 0.956 94.7-113.7 -63.7 -51.6 3.6 12.5 -1.8 28 29 A G X + 0 0 14 -4,-0.5 4,-2.0 62,-0.2 5,-0.2 0.658 58.5 152.6 120.7 32.9 -0.0 12.2 -0.7 29 30 A K H > S+ 0 0 7 -5,-0.4 4,-1.9 1,-0.2 5,-0.2 0.856 80.8 49.8 -57.3 -36.9 -0.3 8.9 1.1 30 31 A T H > S+ 0 0 9 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.858 107.1 54.6 -70.6 -37.4 -3.1 10.4 3.2 31 32 A T H > S+ 0 0 26 2,-0.2 4,-1.3 1,-0.2 -2,-0.2 0.927 113.4 39.8 -62.9 -48.3 -5.0 11.6 0.1 32 33 A V H X S+ 0 0 7 -4,-2.0 4,-2.6 2,-0.2 5,-0.4 0.945 111.4 55.5 -67.6 -51.5 -5.1 8.3 -1.7 33 34 A L H X S+ 0 0 2 -4,-1.9 4,-1.4 1,-0.3 -1,-0.2 0.838 111.6 45.5 -51.0 -38.2 -5.8 6.1 1.4 34 35 A Y H X S+ 0 0 49 -4,-1.5 4,-2.9 3,-0.2 6,-0.7 0.809 110.7 53.5 -76.8 -32.0 -8.9 8.3 2.1 35 36 A K H X S+ 0 0 40 -4,-1.3 4,-1.5 -3,-0.4 -2,-0.2 0.927 115.9 37.0 -69.4 -46.5 -10.1 8.2 -1.5 36 37 A L H < S+ 0 0 30 -4,-2.6 -2,-0.2 2,-0.2 -1,-0.2 0.820 125.5 41.5 -74.9 -31.7 -10.0 4.4 -1.9 37 38 A K H < S+ 0 0 71 -4,-1.4 -2,-0.2 -5,-0.4 -3,-0.2 0.872 132.2 22.1 -82.5 -41.7 -11.2 3.9 1.7 38 39 A L H < S- 0 0 91 -4,-2.9 -3,-0.2 2,-0.2 -2,-0.2 0.585 94.1-132.4-102.3 -14.0 -13.9 6.7 1.8 39 40 A G S < S+ 0 0 48 -4,-1.5 2,-0.3 -5,-0.4 -4,-0.2 0.434 79.4 80.0 77.3 -3.0 -14.5 7.0 -2.0 40 41 A E S S- 0 0 128 -6,-0.7 2,-0.4 122,-0.0 -2,-0.2 -0.994 80.5-116.8-139.8 145.3 -14.1 10.8 -1.7 41 42 A V + 0 0 48 -2,-0.3 2,-0.2 119,-0.3 -10,-0.1 -0.649 37.9 179.9 -82.3 130.4 -11.3 13.3 -1.5 42 43 A I - 0 0 59 -2,-0.4 2,-0.5 -11,-0.2 -8,-0.1 -0.699 42.0 -65.2-122.4 175.8 -11.1 15.3 1.7 43 44 A T - 0 0 137 -2,-0.2 2,-0.3 1,-0.0 -1,-0.0 -0.480 56.5-158.5 -65.3 113.8 -8.9 18.0 3.2 44 45 A T + 0 0 51 -2,-0.5 -1,-0.0 3,-0.0 -3,-0.0 -0.683 14.5 175.2 -97.6 151.1 -5.5 16.4 3.7 45 46 A I - 0 0 126 -2,-0.3 2,-0.3 0, 0.0 -15,-0.1 -0.949 45.5 -65.4-147.4 164.6 -2.8 17.6 6.1 46 47 A P - 0 0 85 0, 0.0 2,-0.6 0, 0.0 22,-0.1 -0.356 52.2-138.5 -57.5 114.3 0.7 16.5 7.4 47 48 A T - 0 0 28 -2,-0.3 2,-0.9 -22,-0.1 23,-0.3 -0.668 13.9-164.6 -80.9 119.6 0.1 13.3 9.4 48 49 A I S S- 0 0 143 -2,-0.6 2,-0.3 2,-0.1 -1,-0.1 -0.608 70.3 -8.8-103.0 70.7 2.2 13.2 12.6 49 50 A G S S- 0 0 14 -2,-0.9 19,-2.7 17,-0.0 2,-0.3 -0.981 101.6 -43.1 148.3-132.7 1.9 9.5 13.4 50 51 A F E -C 67 0A 123 -2,-0.3 2,-0.3 17,-0.3 17,-0.2 -0.959 35.5-164.4-137.3 155.1 -0.1 6.7 11.9 51 52 A N E -C 66 0A 60 15,-0.5 15,-2.8 -2,-0.3 2,-0.2 -0.906 9.7-153.0-145.3 113.6 -3.7 6.2 10.7 52 53 A V - 0 0 58 -2,-0.3 2,-0.4 13,-0.3 13,-0.2 -0.542 8.8-163.3 -84.5 150.0 -5.4 2.9 10.0 53 54 A E - 0 0 18 11,-0.3 11,-2.0 -2,-0.2 2,-0.8 -0.953 10.2-149.6-140.3 118.6 -8.2 2.5 7.6 54 55 A C E +D 63 0A 108 -2,-0.4 2,-0.4 9,-0.2 9,-0.2 -0.768 28.9 165.4 -89.5 110.2 -10.7 -0.4 7.3 55 56 A V E -D 62 0A 17 7,-2.0 7,-1.7 -2,-0.8 2,-0.5 -0.976 26.2-143.2-128.4 140.1 -11.8 -0.9 3.7 56 57 A Q E +D 61 0A 121 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.877 23.8 167.5-105.9 131.7 -13.6 -3.8 2.1 57 58 A Y E > -D 60 0A 83 3,-2.6 3,-1.7 -2,-0.5 -2,-0.0 -0.951 67.1 -11.1-147.5 123.5 -12.9 -4.9 -1.4 58 59 A C T 3 S- 0 0 105 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.883 128.8 -53.1 57.7 41.7 -13.9 -8.1 -3.3 59 60 A N T 3 S+ 0 0 110 1,-0.3 -1,-0.3 -43,-0.0 2,-0.3 0.453 118.3 116.8 75.1 -0.2 -15.0 -9.7 0.0 60 61 A I E < - D 0 57A 22 -3,-1.7 -3,-2.6 -44,-0.1 2,-0.8 -0.689 64.8-134.0-102.2 156.4 -11.6 -8.9 1.5 61 62 A S E -aD 16 56A 61 -46,-1.5 -44,-0.7 -2,-0.3 2,-0.5 -0.809 23.3-167.8-110.0 89.5 -10.8 -6.6 4.4 62 63 A F E -aD 17 55A 2 -7,-1.7 -7,-2.0 -2,-0.8 2,-0.7 -0.668 4.9-157.7 -81.1 122.9 -7.8 -4.4 3.3 63 64 A T E -aD 18 54A 28 -46,-1.9 -44,-3.3 -2,-0.5 2,-0.6 -0.890 8.9-172.3-104.1 114.2 -6.2 -2.6 6.2 64 65 A V E -a 19 0A 1 -11,-2.0 2,-0.5 -2,-0.7 -11,-0.3 -0.898 2.4-168.3-112.6 108.8 -4.2 0.5 5.1 65 66 A W E -a 20 0A 69 -46,-1.5 -44,-3.4 -2,-0.6 2,-0.8 -0.811 8.6-153.3 -95.6 128.1 -2.2 2.2 7.8 66 67 A D E -aC 21 51A 2 -15,-2.8 -15,-0.5 -2,-0.5 2,-0.3 -0.861 14.4-175.1-106.6 105.0 -0.8 5.7 6.8 67 68 A V E - C 0 50A 4 -46,-1.6 -44,-0.3 -2,-0.8 -17,-0.3 -0.753 38.8 -90.1 -97.9 143.5 2.4 6.6 8.7 68 69 A G - 0 0 0 -19,-2.7 -43,-0.1 -2,-0.3 -45,-0.1 -0.200 28.0-154.7 -51.4 133.2 4.0 9.9 8.4 69 70 A G + 0 0 6 -45,-0.3 -44,-0.5 -47,-0.1 -1,-0.2 0.547 56.3 116.4 -88.3 -8.0 6.6 10.0 5.6 70 71 A Q S > S- 0 0 80 -23,-0.3 4,-1.4 -46,-0.3 3,-0.3 -0.037 80.3-109.5 -56.3 163.9 8.6 12.8 7.1 71 72 A D H >> S+ 0 0 100 1,-0.2 3,-0.8 2,-0.2 4,-0.6 0.944 121.0 52.7 -60.5 -50.2 12.2 12.3 8.3 72 73 A R H 34 S+ 0 0 206 1,-0.3 4,-0.3 2,-0.2 3,-0.3 0.765 111.9 48.3 -57.7 -25.7 11.2 12.6 12.0 73 74 A I H >> S+ 0 0 9 -3,-0.3 3,-1.0 1,-0.2 4,-0.8 0.719 86.6 87.9 -86.5 -24.6 8.6 9.9 11.2 74 75 A R H X< S+ 0 0 49 -4,-1.4 3,-0.8 -3,-0.8 -1,-0.2 0.828 89.6 49.8 -41.9 -42.0 11.1 7.6 9.4 75 76 A S G >< S+ 0 0 88 -4,-0.6 3,-2.0 -3,-0.3 -1,-0.3 0.871 99.5 64.2 -68.1 -37.9 11.9 6.0 12.8 76 77 A L G X4 S+ 0 0 74 -3,-1.0 3,-2.0 -4,-0.3 -1,-0.2 0.689 80.4 84.5 -59.5 -18.6 8.3 5.4 13.6 77 78 A W G X< S+ 0 0 8 -4,-0.8 3,-0.9 -3,-0.8 -1,-0.3 0.698 78.0 67.1 -59.2 -17.9 8.1 3.1 10.6 78 79 A R G < S+ 0 0 163 -3,-2.0 -1,-0.3 1,-0.2 3,-0.1 0.229 89.6 66.0 -87.8 15.6 9.5 0.4 13.0 79 80 A H G < + 0 0 119 -3,-2.0 -1,-0.2 1,-0.1 -2,-0.1 0.131 56.5 120.7-119.7 17.2 6.2 0.4 15.0 80 81 A Y S < S- 0 0 14 -3,-0.9 -1,-0.1 1,-0.1 -2,-0.1 0.731 80.1-124.2 -52.5 -23.4 4.0 -0.9 12.2 81 82 A Y - 0 0 170 -3,-0.1 -1,-0.1 2,-0.1 -2,-0.1 0.718 45.8 -87.7 81.9 25.0 3.2 -3.7 14.7 82 83 A C S S+ 0 0 111 1,-0.1 3,-0.1 32,-0.1 -1,-0.0 0.886 100.7 95.9 38.3 101.8 4.3 -6.5 12.2 83 84 A N + 0 0 43 1,-0.2 -65,-0.2 -65,-0.0 2,-0.2 0.250 37.3 122.5-179.6 -28.4 1.3 -7.4 10.0 84 85 A T - 0 0 16 1,-0.2 -65,-0.2 -67,-0.1 -1,-0.2 -0.365 35.0-172.3 -58.3 121.4 1.3 -5.4 6.7 85 86 A E S S+ 0 0 92 -67,-1.8 34,-0.7 1,-0.3 2,-0.3 0.780 72.8 18.3 -86.6 -28.2 1.3 -7.9 3.8 86 87 A G E S-b 19 0A 0 -68,-1.8 -66,-2.0 32,-0.2 2,-0.3 -1.000 71.3-144.2-145.3 141.8 1.9 -5.3 1.2 87 88 A V E -b 20 0A 3 -2,-0.3 34,-3.7 -68,-0.2 2,-0.5 -0.738 4.7-147.3-106.5 155.7 3.2 -1.7 1.2 88 89 A I E -be 21 121A 15 -68,-2.6 -66,-1.5 -2,-0.3 2,-0.6 -0.907 11.5-161.0-124.6 102.4 2.1 1.3 -0.8 89 90 A F E -be 22 122A 3 32,-2.3 34,-2.7 -2,-0.5 2,-0.6 -0.728 7.3-152.8 -87.3 121.5 4.9 3.8 -1.6 90 91 A V E -be 23 123A 1 -68,-1.5 -66,-1.0 -2,-0.6 2,-0.5 -0.840 15.0-179.0 -98.1 119.7 3.6 7.2 -2.7 91 92 A V E - e 0 124A 0 32,-1.2 34,-1.6 -2,-0.6 2,-0.1 -0.969 29.0-122.3-122.4 121.9 5.9 9.2 -4.9 92 93 A D E - e 0 125A 14 -2,-0.5 34,-0.2 32,-0.2 -65,-0.1 -0.381 21.2-168.7 -60.9 128.2 5.1 12.7 -6.1 93 94 A S S S+ 0 0 3 32,-2.2 33,-0.2 -66,-0.2 -1,-0.2 0.846 85.8 47.6 -86.9 -38.9 5.1 12.8 -9.9 94 95 A N S S+ 0 0 53 31,-0.4 2,-0.7 1,-0.2 3,-0.2 0.459 98.3 78.4 -81.8 -1.3 4.9 16.5 -10.4 95 96 A D > + 0 0 63 1,-0.2 4,-0.6 2,-0.1 3,-0.4 -0.690 46.2 158.7-111.0 78.6 7.7 17.1 -7.9 96 97 A R T 4 + 0 0 195 -2,-0.7 4,-0.4 1,-0.2 3,-0.2 0.766 67.5 71.7 -67.9 -27.5 10.9 16.3 -9.7 97 98 A S T 4 S+ 0 0 104 1,-0.2 3,-0.4 -3,-0.2 -1,-0.2 0.913 111.7 26.6 -55.6 -47.0 12.9 18.3 -7.2 98 99 A R T >> S+ 0 0 114 -3,-0.4 4,-1.7 1,-0.2 3,-1.4 0.422 88.3 111.7 -96.0 -1.7 12.4 15.7 -4.5 99 100 A I H 3X S+ 0 0 19 -4,-0.6 4,-1.2 1,-0.3 -1,-0.2 0.733 81.1 50.3 -44.9 -25.0 12.0 12.8 -6.9 100 101 A G H 3> S+ 0 0 33 -3,-0.4 4,-3.1 -4,-0.4 -1,-0.3 0.830 103.6 57.4 -84.4 -32.5 15.4 11.5 -5.6 101 102 A E H <> S+ 0 0 77 -3,-1.4 4,-3.0 2,-0.2 5,-0.2 0.956 107.9 46.7 -60.7 -50.9 14.4 11.8 -1.9 102 103 A A H X S+ 0 0 0 -4,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.917 114.2 48.7 -57.0 -45.2 11.4 9.5 -2.5 103 104 A R H X S+ 0 0 102 -4,-1.2 4,-1.5 -5,-0.3 -1,-0.2 0.926 115.1 43.5 -61.2 -47.2 13.6 7.0 -4.4 104 105 A E H X S+ 0 0 112 -4,-3.1 4,-1.3 1,-0.2 -2,-0.2 0.843 111.8 54.9 -68.7 -33.5 16.3 7.1 -1.7 105 106 A V H X S+ 0 0 3 -4,-3.0 4,-1.6 -5,-0.2 3,-0.4 0.936 106.1 50.0 -66.0 -47.0 13.7 6.8 1.1 106 107 A M H X S+ 0 0 10 -4,-2.3 4,-3.1 1,-0.2 5,-0.2 0.883 104.6 60.3 -58.8 -38.6 12.1 3.7 -0.3 107 108 A Q H X S+ 0 0 95 -4,-1.5 4,-2.0 1,-0.2 -1,-0.2 0.893 102.1 51.9 -56.2 -42.2 15.5 2.1 -0.6 108 109 A R H < S+ 0 0 177 -4,-1.3 -1,-0.2 -3,-0.4 4,-0.2 0.910 113.9 43.4 -61.6 -42.0 16.0 2.5 3.2 109 110 A M H >< S+ 0 0 5 -4,-1.6 3,-0.8 1,-0.2 -2,-0.2 0.871 115.5 48.9 -69.4 -38.7 12.7 0.7 3.7 110 111 A L H 3< S+ 0 0 21 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.728 108.6 53.7 -73.8 -23.6 13.5 -1.9 1.1 111 112 A N T 3< S+ 0 0 130 -4,-2.0 2,-0.4 -5,-0.2 -1,-0.2 0.433 85.7 108.9 -90.2 -0.4 16.9 -2.5 2.6 112 113 A E X - 0 0 63 -3,-0.8 3,-1.1 -4,-0.2 -3,-0.0 -0.649 60.7-151.9 -82.8 130.6 15.4 -3.2 6.1 113 114 A D G > S+ 0 0 137 -2,-0.4 3,-1.0 1,-0.3 -1,-0.1 0.837 99.3 58.8 -65.9 -33.2 15.5 -6.8 7.3 114 115 A E G 3 S+ 0 0 94 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.596 114.6 36.9 -72.0 -11.4 12.4 -6.1 9.3 115 116 A L G X S+ 0 0 9 -3,-1.1 3,-0.8 -6,-0.1 -1,-0.2 0.146 81.7 105.7-126.3 17.9 10.6 -5.2 6.1 116 117 A C T < S+ 0 0 91 -3,-1.0 -2,-0.1 1,-0.2 -3,-0.1 0.491 83.3 51.3 -76.6 -2.0 12.2 -7.7 3.7 117 118 A N T 3 S+ 0 0 148 -4,-0.1 2,-0.3 -3,-0.1 -1,-0.2 0.460 93.2 88.3-111.1 -5.7 8.9 -9.6 3.8 118 119 A A S < S- 0 0 6 -3,-0.8 -32,-0.2 1,-0.1 -33,-0.1 -0.657 76.9-114.8 -96.4 151.5 6.5 -6.7 3.0 119 120 A A - 0 0 23 -34,-0.7 33,-0.2 -2,-0.3 2,-0.1 -0.126 13.6-145.2 -75.3 175.8 5.5 -5.6 -0.5 120 121 A W E + f 0 152A 6 31,-1.5 33,-1.1 -34,-0.1 2,-0.7 -0.559 18.2 177.3-147.3 77.6 6.3 -2.3 -2.2 121 122 A L E -ef 88 153A 24 -34,-3.7 -32,-2.3 31,-0.2 2,-0.4 -0.732 17.3-153.2 -86.0 116.8 3.6 -1.0 -4.5 122 123 A V E -ef 89 154A 1 31,-3.3 33,-1.9 -2,-0.7 2,-0.5 -0.772 11.5-173.1 -95.0 133.3 4.6 2.4 -5.9 123 124 A F E -ef 90 155A 7 -34,-2.7 -32,-1.2 -2,-0.4 2,-0.7 -0.930 21.5-137.0-129.0 107.2 1.8 4.9 -6.9 124 125 A A E -ef 91 156A 1 31,-2.6 33,-2.5 -2,-0.5 3,-0.5 -0.482 29.2-157.1 -65.4 106.7 2.9 8.1 -8.7 125 126 A N E +e 92 0A 10 -34,-1.6 -32,-2.2 -2,-0.7 -31,-0.4 -0.288 67.3 39.5 -81.2 169.5 0.7 10.8 -7.0 126 127 A K > + 0 0 76 -34,-0.2 3,-1.9 -33,-0.2 -1,-0.2 0.681 67.5 140.8 65.2 18.6 -0.3 14.1 -8.5 127 128 A Q T 3 + 0 0 37 30,-1.6 5,-0.3 -3,-0.5 31,-0.2 0.793 62.5 67.8 -60.7 -26.6 -0.7 12.5 -11.9 128 129 A D T 3 S+ 0 0 76 29,-0.3 -1,-0.3 3,-0.1 30,-0.1 0.700 77.4 105.4 -66.5 -19.5 -3.8 14.7 -12.3 129 130 A L S X S- 0 0 51 -3,-1.9 3,-3.0 1,-0.1 0, 0.0 -0.395 82.5-123.9 -64.8 136.3 -1.4 17.8 -12.5 130 131 A P T 3 S+ 0 0 132 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.802 116.4 44.3 -49.5 -31.3 -1.0 19.2 -16.1 131 132 A E T 3 S+ 0 0 167 -5,-0.1 2,-0.1 2,-0.0 -2,-0.1 0.013 84.6 150.3-103.3 26.3 2.7 18.7 -15.6 132 133 A A < - 0 0 28 -3,-3.0 -38,-0.1 -5,-0.3 -5,-0.1 -0.376 50.3-112.9 -62.8 132.3 2.3 15.2 -14.0 133 134 A M - 0 0 55 -2,-0.1 -1,-0.1 1,-0.1 -39,-0.1 -0.365 29.9-117.8 -67.8 144.6 5.3 13.0 -14.8 134 135 A S > - 0 0 64 1,-0.1 4,-2.0 -41,-0.1 3,-0.3 -0.336 21.4-112.7 -78.3 163.8 4.8 10.0 -17.0 135 136 A A H > S+ 0 0 45 1,-0.2 4,-2.2 2,-0.2 5,-0.3 0.815 115.1 61.8 -65.9 -30.6 5.3 6.4 -15.9 136 137 A A H > S+ 0 0 63 2,-0.2 4,-1.8 3,-0.2 -1,-0.2 0.874 108.9 40.1 -63.7 -39.6 8.3 6.1 -18.2 137 138 A E H > S+ 0 0 89 -3,-0.3 4,-2.6 2,-0.2 5,-0.3 0.937 117.1 46.1 -76.6 -48.8 10.2 8.8 -16.4 138 139 A I H X S+ 0 0 2 -4,-2.0 4,-1.1 1,-0.2 -2,-0.2 0.876 116.8 47.2 -61.4 -37.6 9.3 7.9 -12.8 139 140 A T H <>S+ 0 0 30 -4,-2.2 5,-2.4 -5,-0.2 4,-0.3 0.954 114.0 45.0 -68.7 -52.3 10.0 4.3 -13.5 140 141 A E H ><5S+ 0 0 140 -4,-1.8 3,-2.3 -5,-0.3 -2,-0.2 0.954 113.6 48.6 -57.1 -55.0 13.4 4.9 -15.2 141 142 A K H 3<5S+ 0 0 131 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.798 110.3 53.7 -56.9 -30.2 14.7 7.3 -12.7 142 143 A L T 3<5S- 0 0 4 -4,-1.1 -1,-0.3 -5,-0.3 -2,-0.2 0.459 112.0-121.9 -84.7 -1.2 13.6 4.9 -9.9 143 144 A G T <>5 + 0 0 21 -3,-2.3 4,-1.1 -4,-0.3 -3,-0.2 0.863 54.8 158.0 63.9 34.8 15.6 2.1 -11.6 144 145 A L T 4> +G 163 0B 27 5,-1.5 4,-3.3 -2,-0.3 5,-0.6 -0.925 10.0 178.6-128.7 102.5 -4.7 10.5 -9.2 159 160 A A T 45S+ 0 0 1 -2,-0.5 -1,-0.1 2,-0.2 -34,-0.0 0.839 77.2 69.7 -72.3 -34.7 -6.0 10.8 -5.6 160 161 A T T 45S+ 0 0 68 1,-0.2 -119,-0.3 2,-0.1 -1,-0.2 0.854 123.3 14.5 -51.8 -36.2 -7.8 14.1 -6.3 161 162 A S T 45S- 0 0 82 -3,-0.3 -2,-0.2 2,-0.1 -1,-0.2 0.752 100.5-127.3-106.5 -39.5 -10.3 12.0 -8.4 162 163 A G T >X5 + 0 0 13 -4,-3.3 3,-1.2 1,-0.3 4,-0.6 0.480 50.3 154.9 102.3 5.9 -9.4 8.5 -7.3 163 164 A E B 34< +G 158 0B 109 -5,-0.6 -5,-1.5 1,-0.2 -1,-0.3 -0.436 68.6 14.1 -69.0 138.1 -8.8 7.1 -10.8 164 165 A G T 3> S+ 0 0 1 -7,-0.2 4,-1.4 -2,-0.1 -1,-0.2 0.226 98.5 102.8 84.3 -16.1 -6.5 4.1 -10.9 165 166 A L H <> S+ 0 0 5 -3,-1.2 4,-1.4 -7,-0.2 5,-0.2 0.902 78.6 51.1 -65.9 -41.8 -6.8 3.6 -7.2 166 167 A Y H X S+ 0 0 102 -4,-0.6 4,-1.5 1,-0.2 3,-0.2 0.918 106.0 55.1 -61.8 -44.4 -9.2 0.7 -7.4 167 168 A E H > S+ 0 0 65 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.861 102.9 57.7 -57.3 -37.9 -6.9 -1.1 -9.9 168 169 A G H X S+ 0 0 3 -4,-1.4 4,-1.9 1,-0.2 -1,-0.2 0.914 105.7 47.6 -60.8 -44.4 -4.1 -0.9 -7.4 169 170 A L H X S+ 0 0 8 -4,-1.4 4,-1.7 -3,-0.2 -1,-0.2 0.793 112.3 51.8 -67.1 -28.2 -6.0 -2.8 -4.7 170 171 A E H X S+ 0 0 96 -4,-1.5 4,-1.3 2,-0.2 -2,-0.2 0.863 107.0 51.7 -76.1 -37.7 -7.0 -5.4 -7.3 171 172 A W H X S+ 0 0 125 -4,-2.2 4,-1.2 2,-0.2 -2,-0.2 0.913 111.9 46.5 -65.3 -43.8 -3.4 -6.0 -8.5 172 173 A L H >X S+ 0 0 15 -4,-1.9 4,-1.2 1,-0.2 3,-0.8 0.949 108.3 54.1 -63.7 -51.5 -2.2 -6.6 -4.9 173 174 A S H 3X S+ 0 0 13 -4,-1.7 4,-1.7 1,-0.3 -1,-0.2 0.804 108.3 52.1 -53.9 -31.7 -5.0 -8.9 -3.9 174 175 A N H 3< S+ 0 0 82 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.810 101.6 60.1 -74.6 -32.7 -4.2 -11.0 -7.0 175 176 A C H << S+ 0 0 94 -4,-1.2 -1,-0.2 -3,-0.8 -2,-0.2 0.788 115.3 32.5 -67.4 -29.2 -0.5 -11.3 -6.0 176 177 A L H X + 0 0 27 -4,-1.2 4,-3.1 4,-0.2 -2,-0.2 0.917 64.5 169.9 -92.1 -58.3 -1.2 -13.0 -2.7 177 178 A K T < S- 0 0 128 -4,-1.7 2,-3.3 3,-0.2 -3,-0.1 0.811 73.1 -91.0 46.4 31.7 -4.4 -15.0 -3.3 178 179 A N T 4 S+ 0 0 85 1,-0.2 -1,-0.2 -5,-0.2 -4,-0.0 -0.325 130.5 70.7 67.3 -65.8 -3.5 -16.4 0.1 179 180 A S T 4 0 0 113 -2,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.768 360.0 360.0 -50.9 -27.2 -1.4 -19.3 -1.3 180 181 A T < 0 0 126 -4,-3.1 -3,-0.2 -6,-0.1 -1,-0.2 0.686 360.0 360.0-114.7 360.0 1.1 -16.5 -2.3