==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 14-JUL-11 3SWL . COMPND 2 MOLECULE: CHLORIDE INTRACELLULAR CHANNEL PROTEIN 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.FANUCCHI,I.A.ACHILONU,M.A.FERNANDES,H.W.DIRR . 232 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12243.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 151 65.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 2.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 6.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 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 0.9 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 . 11 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 89 38.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 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 1 0 1 0 1 0 1 2 0 1 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 2 0 0 2 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 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 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 6 A P 0 0 111 0, 0.0 2,-0.1 0, 0.0 34,-0.0 0.000 360.0 360.0 360.0 131.9 4.6 16.5 11.0 2 7 A Q - 0 0 153 62,-0.1 63,-3.3 1,-0.1 2,-0.5 -0.202 360.0-176.8 -59.2 121.2 7.4 15.2 8.7 3 8 A V E +A 64 0A 9 32,-0.2 34,-1.7 61,-0.2 2,-0.4 -0.976 5.3 172.8-122.8 118.3 6.7 11.8 7.1 4 9 A E E -Ab 63 37A 60 59,-2.3 59,-2.2 -2,-0.5 2,-0.4 -0.959 16.8-154.1-131.8 114.7 9.4 10.1 5.0 5 10 A L E -Ab 62 38A 0 32,-2.2 34,-3.1 -2,-0.4 2,-0.5 -0.746 6.8-152.5 -90.1 127.9 9.0 6.6 3.6 6 11 A F E +Ab 61 39A 16 55,-2.4 55,-1.0 -2,-0.4 2,-0.3 -0.920 23.2 178.3-102.8 119.7 12.3 4.7 2.9 7 12 A V E - b 0 40A 3 32,-3.2 34,-3.0 -2,-0.5 2,-0.3 -0.787 35.0 -88.7-126.9 160.7 11.9 2.0 0.2 8 13 A K E - b 0 41A 76 -2,-0.3 9,-3.1 32,-0.2 2,-0.2 -0.481 41.4-141.9 -66.1 124.7 13.9 -0.6 -1.8 9 14 A A B -D 16 0B 8 32,-2.9 7,-0.3 -2,-0.3 34,-0.2 -0.589 19.0-120.1 -86.7 159.9 15.5 0.8 -4.9 10 15 A G > - 0 0 14 5,-3.7 3,-0.8 -2,-0.2 7,-0.2 0.249 44.6 -65.0 -83.4-156.9 15.6 -1.2 -8.1 11 16 A S T 3 S+ 0 0 85 1,-0.2 6,-0.1 5,-0.2 -2,-0.1 0.900 130.8 54.7 -62.6 -41.9 18.4 -2.5 -10.3 12 17 A D T 3 S- 0 0 108 1,-0.1 -1,-0.2 30,-0.0 30,-0.1 0.646 112.0-118.7 -70.1 -14.0 19.5 1.0 -11.4 13 18 A G S < S+ 0 0 17 -3,-0.8 -4,-0.1 2,-0.2 -2,-0.1 0.375 99.6 49.1 92.6 -2.5 19.9 2.0 -7.7 14 19 A A S S+ 0 0 61 2,-0.1 26,-0.1 27,-0.1 3,-0.1 0.569 84.9 82.8-136.6 -34.2 17.3 4.8 -7.8 15 20 A K S S- 0 0 60 1,-0.1 -5,-3.7 -6,-0.1 -2,-0.2 -0.349 96.6 -81.3 -71.0 162.4 14.0 3.6 -9.4 16 21 A I B -D 9 0B 55 -7,-0.3 204,-0.4 202,-0.1 -7,-0.3 -0.447 52.5-150.5 -68.6 134.4 11.6 1.8 -7.1 17 22 A G - 0 0 2 -9,-3.1 2,-0.3 -7,-0.2 -7,-0.2 -0.426 29.8 -71.0 -99.2 176.1 12.5 -1.9 -6.7 18 23 A N S S+ 0 0 32 205,-0.3 -1,-0.1 -2,-0.1 200,-0.0 -0.501 72.5 122.0 -68.8 129.8 10.6 -5.0 -6.1 19 24 A C > - 0 0 19 -2,-0.3 4,-1.9 158,-0.1 5,-0.1 -0.471 43.1-157.3 168.6 109.5 9.1 -5.3 -2.6 20 25 A P H > S+ 0 0 7 0, 0.0 4,-1.8 0, 0.0 158,-0.2 0.587 96.4 55.1 -73.6 -15.4 5.5 -5.7 -1.6 21 26 A F H > S+ 0 0 84 2,-0.2 4,-1.8 3,-0.1 5,-0.2 0.863 107.5 49.4 -86.0 -44.3 6.0 -4.3 1.9 22 27 A S H > S+ 0 0 3 2,-0.2 4,-2.0 1,-0.2 3,-0.2 0.944 114.4 47.0 -50.2 -53.1 7.5 -1.1 0.5 23 28 A Q H X S+ 0 0 6 -4,-1.9 4,-3.1 1,-0.2 5,-0.2 0.943 107.4 56.0 -58.3 -50.2 4.5 -0.9 -1.8 24 29 A R H X S+ 0 0 13 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.845 110.3 43.8 -51.4 -40.8 2.0 -1.6 1.0 25 30 A L H X S+ 0 0 0 -4,-1.8 4,-3.0 2,-0.2 -1,-0.2 0.880 112.6 52.3 -75.9 -38.8 3.3 1.4 3.1 26 31 A F H X S+ 0 0 29 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.887 110.5 48.3 -56.1 -45.9 3.4 3.6 0.1 27 32 A M H X S+ 0 0 0 -4,-3.1 4,-2.1 -5,-0.2 -2,-0.2 0.874 110.7 53.1 -64.5 -36.8 -0.2 2.7 -0.6 28 33 A V H X S+ 0 0 0 -4,-1.7 4,-1.7 -5,-0.2 -2,-0.2 0.962 109.1 45.7 -64.5 -53.8 -1.0 3.4 3.0 29 34 A L H X>S+ 0 0 0 -4,-3.0 4,-1.4 2,-0.2 5,-0.5 0.900 113.5 51.0 -54.5 -44.2 0.4 6.9 3.1 30 35 A W H ><5S+ 0 0 82 -4,-2.0 3,-1.0 1,-0.2 -2,-0.2 0.973 110.1 48.6 -53.4 -62.8 -1.3 7.8 -0.3 31 36 A L H 3<5S+ 0 0 22 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.730 106.8 56.9 -48.1 -34.8 -4.7 6.5 0.9 32 37 A K H 3<5S- 0 0 6 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.855 100.3-138.4 -70.6 -33.1 -4.3 8.6 4.2 33 38 A G T <<5 + 0 0 61 -4,-1.4 -3,-0.1 -3,-1.0 -2,-0.1 0.316 53.6 142.1 88.8 -5.4 -3.9 11.8 2.1 34 39 A V < - 0 0 12 -5,-0.5 -1,-0.3 1,-0.1 2,-0.2 -0.328 59.1-105.9 -60.8 144.8 -1.1 12.9 4.4 35 40 A T + 0 0 126 -3,-0.1 2,-0.3 -34,-0.0 -32,-0.2 -0.574 53.6 154.1 -74.9 140.0 1.8 14.7 2.8 36 41 A F - 0 0 38 -2,-0.2 2,-0.3 -34,-0.1 -32,-0.2 -0.979 35.5-136.9-156.1 155.1 5.0 12.6 2.5 37 42 A N E -b 4 0A 116 -34,-1.7 -32,-2.2 -2,-0.3 2,-0.4 -0.802 20.7-141.0-108.3 165.6 8.1 12.2 0.5 38 43 A V E -b 5 0A 48 -2,-0.3 2,-0.4 -34,-0.2 -32,-0.2 -0.976 11.3-163.1-131.0 138.5 9.5 8.8 -0.5 39 44 A T E -b 6 0A 41 -34,-3.1 -32,-3.2 -2,-0.4 2,-0.3 -0.990 8.5-146.2-133.8 125.4 13.1 7.8 -0.6 40 45 A T E -b 7 0A 46 -2,-0.4 2,-0.4 -34,-0.2 -32,-0.2 -0.698 15.3-148.8 -97.5 140.9 14.6 4.9 -2.4 41 46 A V E -b 8 0A 4 -34,-3.0 -32,-2.9 -2,-0.3 2,-0.7 -0.915 14.9-152.5-119.5 138.2 17.6 3.0 -1.0 42 47 A D > - 0 0 35 3,-0.5 3,-0.8 -2,-0.4 -32,-0.1 -0.927 14.5-162.2 -95.3 106.2 20.5 1.1 -2.6 43 48 A T T 3 S+ 0 0 49 -2,-0.7 3,-0.3 1,-0.3 -1,-0.1 0.768 91.3 48.0 -72.6 -19.3 21.4 -1.4 0.1 44 49 A K T 3 S+ 0 0 162 1,-0.2 -1,-0.3 -3,-0.1 2,-0.1 0.545 121.9 38.4 -90.2 -9.5 24.9 -2.1 -1.4 45 50 A R S < S- 0 0 167 -3,-0.8 -3,-0.5 -32,-0.1 2,-0.3 -0.595 82.8-179.6-139.0 73.2 25.4 1.7 -1.6 46 51 A R - 0 0 58 -3,-0.3 -3,-0.1 -2,-0.1 -5,-0.1 -0.558 22.6-125.1 -84.3 137.4 23.9 3.3 1.6 47 52 A T > - 0 0 74 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.215 22.4-109.4 -74.8 166.4 24.0 7.0 2.2 48 53 A E H > S+ 0 0 141 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.962 120.3 46.2 -54.2 -55.5 25.4 8.8 5.3 49 54 A T H > S+ 0 0 93 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.818 109.8 53.7 -62.4 -34.3 21.9 9.8 6.4 50 55 A V H > S+ 0 0 4 2,-0.2 4,-2.4 1,-0.2 3,-0.3 0.957 111.2 45.7 -65.5 -52.0 20.4 6.3 5.8 51 56 A Q H < S+ 0 0 100 -4,-2.1 -2,-0.2 1,-0.2 6,-0.2 0.961 114.5 49.9 -45.6 -59.9 23.1 4.7 8.0 52 57 A K H < S+ 0 0 142 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.721 116.0 40.1 -53.8 -34.8 22.6 7.4 10.6 53 58 A L H < S+ 0 0 54 -4,-1.7 -1,-0.2 -3,-0.3 -2,-0.2 0.738 129.4 24.6 -94.7 -28.8 18.8 7.1 10.8 54 59 A C >< + 0 0 4 -4,-2.4 3,-0.8 -5,-0.2 -1,-0.2 -0.687 61.5 163.7-137.1 84.0 18.5 3.3 10.6 55 60 A P T 3 S+ 0 0 107 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.878 78.0 67.2 -64.7 -37.8 21.7 1.7 11.8 56 61 A G T 3 S- 0 0 59 1,-0.1 -5,-0.1 -3,-0.1 -2,-0.0 0.795 106.4-135.9 -49.8 -30.9 19.8 -1.6 12.2 57 62 A G < + 0 0 23 -3,-0.8 2,-0.2 1,-0.2 -1,-0.1 0.608 42.2 162.0 85.2 19.3 19.7 -1.3 8.4 58 63 A Q - 0 0 92 2,-0.0 -1,-0.2 13,-0.0 -2,-0.0 -0.440 29.9-127.1 -85.3 144.0 16.1 -2.2 7.7 59 64 A L S S+ 0 0 41 1,-0.2 2,-0.1 -2,-0.2 -52,-0.1 -0.993 87.7 31.7-131.5 128.9 13.9 -1.6 4.6 60 65 A P S S+ 0 0 5 0, 0.0 11,-0.5 0, 0.0 2,-0.3 0.505 80.8 164.4 -82.1 154.6 11.3 -0.3 4.6 61 66 A F E -AC 6 70A 0 -55,-1.0 -55,-2.4 9,-0.1 2,-0.5 -0.959 25.5-139.6-127.8 153.3 11.6 2.1 7.4 62 67 A L E -AC 5 69A 0 7,-3.1 7,-2.5 -2,-0.3 2,-0.6 -0.954 3.2-158.7-112.7 131.5 9.5 5.1 8.4 63 68 A L E -AC 4 68A 29 -59,-2.2 -59,-2.3 -2,-0.5 2,-0.5 -0.955 14.5-178.4 -97.6 114.8 10.8 8.5 9.7 64 69 A Y E > S-AC 3 67A 49 3,-2.5 3,-2.8 -2,-0.6 2,-1.2 -0.960 70.2 -43.0-116.8 112.3 7.9 10.2 11.5 65 70 A G T 3 S- 0 0 25 -63,-3.3 -2,-0.0 -2,-0.5 3,-0.0 -0.620 123.5 -37.8 64.2 -98.9 9.0 13.6 12.8 66 71 A T T 3 S+ 0 0 122 -2,-1.2 2,-0.6 2,-0.0 -1,-0.3 0.250 117.4 107.5-129.5 1.1 12.4 12.4 14.0 67 72 A E E < -C 64 0A 144 -3,-2.8 -3,-2.5 2,-0.0 2,-0.3 -0.766 59.1-146.6 -92.3 120.4 11.2 9.0 15.3 68 73 A V E -C 63 0A 45 -2,-0.6 2,-0.4 -5,-0.2 -5,-0.2 -0.643 15.0-173.2 -89.6 140.7 12.3 6.0 13.3 69 74 A A E -C 62 0A 32 -7,-2.5 -7,-3.1 -2,-0.3 2,-0.2 -0.992 1.8-175.1-134.9 136.8 10.0 3.0 13.0 70 75 A T E +C 61 0A 52 -2,-0.4 -9,-0.1 -9,-0.2 4,-0.1 -0.746 46.0 71.9-125.1 171.5 10.8 -0.4 11.4 71 76 A D >> - 0 0 87 -11,-0.5 4,-2.5 -2,-0.2 3,-0.7 0.892 68.1-130.0 79.8 91.5 8.7 -3.6 10.7 72 77 A T H 3> S+ 0 0 18 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.832 105.8 50.1 -29.4 -60.6 6.0 -3.1 7.9 73 78 A N H 3> S+ 0 0 86 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.891 114.6 44.8 -56.9 -42.7 3.1 -4.5 10.0 74 79 A K H <> S+ 0 0 119 -3,-0.7 4,-1.9 2,-0.2 -1,-0.2 0.870 111.6 51.7 -69.5 -39.7 4.0 -2.2 12.9 75 80 A I H X S+ 0 0 1 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.911 112.1 48.0 -63.3 -41.0 4.5 0.9 10.8 76 81 A E H X S+ 0 0 17 -4,-2.6 4,-2.6 -5,-0.3 3,-0.4 0.991 111.5 47.0 -61.8 -61.7 1.1 0.4 9.2 77 82 A E H X S+ 0 0 100 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.798 113.0 52.2 -48.7 -35.1 -0.8 -0.2 12.4 78 83 A F H X S+ 0 0 84 -4,-1.9 4,-3.3 2,-0.2 -1,-0.2 0.900 109.8 47.3 -64.8 -47.7 1.0 3.0 13.8 79 84 A L H X S+ 0 0 0 -4,-2.1 4,-3.1 -3,-0.4 -2,-0.2 0.890 111.9 50.9 -63.0 -43.5 -0.0 5.2 10.9 80 85 A E H < S+ 0 0 16 -4,-2.6 -2,-0.2 2,-0.2 -1,-0.2 0.951 115.6 41.3 -57.7 -52.9 -3.6 3.9 11.1 81 86 A A H < S+ 0 0 59 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.938 121.6 42.2 -60.8 -47.5 -3.7 4.7 14.9 82 87 A V H < S+ 0 0 57 -4,-3.3 2,-1.1 1,-0.2 -2,-0.2 0.961 104.7 62.5 -69.0 -53.6 -1.9 8.0 14.5 83 88 A L S < S+ 0 0 3 -4,-3.1 -1,-0.2 -5,-0.2 -49,-0.0 -0.619 83.6 169.3 -83.4 97.4 -3.6 9.4 11.3 84 89 A C > - 0 0 51 -2,-1.1 4,-3.3 1,-0.1 3,-0.5 -0.555 24.9 -68.5-112.6 157.3 -7.1 9.7 12.6 85 90 A P T 4 S+ 0 0 66 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.585 104.4 44.2 -69.8 156.2 -10.5 11.1 11.8 86 91 A P T 4 S+ 0 0 143 0, 0.0 4,-0.0 0, 0.0 0, 0.0 -0.984 131.1 31.0 -81.5 -10.3 -11.7 13.7 11.6 87 92 A R T 4 S+ 0 0 193 -3,-0.5 -4,-0.1 1,-0.1 0, 0.0 0.911 126.8 25.3 -70.7 -45.5 -8.6 14.8 9.6 88 93 A Y S < S- 0 0 30 -4,-3.3 -1,-0.1 -55,-0.0 -55,-0.1 -0.926 89.3 -97.8-127.4 144.3 -7.6 11.5 7.9 89 94 A P - 0 0 60 0, 0.0 2,-0.3 0, 0.0 -6,-0.0 -0.265 28.0-120.1 -62.7 141.0 -9.7 8.4 6.9 90 95 A K - 0 0 116 1,-0.1 -6,-0.1 -6,-0.1 -9,-0.0 -0.601 33.2-179.5 -64.3 140.7 -9.9 5.3 9.0 91 96 A L + 0 0 14 -2,-0.3 79,-2.6 2,-0.1 80,-0.3 0.473 36.4 114.6-129.7 -11.7 -8.6 2.6 6.6 92 97 A A S S- 0 0 50 77,-0.2 2,-0.2 78,-0.1 -2,-0.0 -0.211 72.7-105.6 -59.1 154.6 -8.8 -0.6 8.6 93 98 A A - 0 0 17 1,-0.1 -1,-0.1 76,-0.1 -2,-0.1 -0.487 15.7-143.3 -78.3 160.9 -11.3 -3.2 7.2 94 99 A L S S+ 0 0 157 70,-0.2 -1,-0.1 -2,-0.2 3,-0.1 0.549 86.5 65.5-100.4 -18.9 -14.6 -3.7 9.0 95 100 A N S >> S- 0 0 28 1,-0.1 3,-2.1 49,-0.0 4,-0.7 -0.940 75.3-147.3-111.8 107.5 -14.8 -7.5 8.4 96 101 A P G >4 S+ 0 0 109 0, 0.0 3,-1.3 0, 0.0 4,-0.4 0.828 98.1 63.3 -49.0 -31.2 -12.0 -9.3 10.3 97 102 A E G >> S+ 0 0 112 1,-0.3 3,-2.4 2,-0.2 4,-2.1 0.853 85.7 67.7 -58.8 -40.5 -12.0 -11.8 7.4 98 103 A S G <4 S+ 0 0 1 -3,-2.1 -1,-0.3 1,-0.3 66,-0.1 0.781 97.9 59.4 -54.1 -23.3 -11.0 -9.2 4.7 99 104 A N G << S+ 0 0 74 -3,-1.3 -1,-0.3 -4,-0.7 -2,-0.2 0.718 113.3 32.7 -77.2 -22.8 -7.7 -9.3 6.7 100 105 A T T X4 S+ 0 0 93 -3,-2.4 3,-2.2 -4,-0.4 4,-0.4 0.594 86.2 112.3-110.4 -12.7 -7.1 -13.0 6.1 101 106 A A T 3< S+ 0 0 12 -4,-2.1 34,-0.1 1,-0.3 74,-0.0 -0.425 96.8 1.9 -64.2 126.4 -8.6 -13.7 2.7 102 107 A G T > S+ 0 0 3 -2,-0.2 3,-1.4 29,-0.1 4,-0.5 0.481 93.1 128.8 78.9 2.3 -5.8 -14.5 0.3 103 108 A L T < S+ 0 0 87 -3,-2.2 4,-0.3 1,-0.3 3,-0.2 0.808 70.8 48.7 -66.8 -23.3 -3.3 -14.2 3.1 104 109 A D T 3> S+ 0 0 69 -4,-0.4 4,-1.5 1,-0.2 -1,-0.3 0.576 87.2 89.1 -90.8 -3.5 -1.7 -17.6 2.3 105 110 A I H <> S+ 0 0 2 -3,-1.4 4,-2.4 1,-0.2 5,-0.2 0.897 81.7 54.8 -62.3 -45.8 -1.3 -17.0 -1.5 106 111 A F H > S+ 0 0 36 -4,-0.5 4,-2.8 -3,-0.2 -1,-0.2 0.881 107.6 47.7 -58.9 -45.4 2.2 -15.4 -1.4 107 112 A A H > S+ 0 0 70 -4,-0.3 4,-3.2 2,-0.2 -1,-0.2 0.914 113.1 49.8 -61.9 -42.5 3.9 -18.3 0.4 108 113 A K H X S+ 0 0 78 -4,-1.5 4,-1.3 2,-0.2 20,-0.2 0.866 111.7 48.0 -64.0 -39.1 2.3 -20.8 -1.9 109 114 A F H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 5,-0.3 0.924 113.2 49.3 -65.6 -47.4 3.5 -18.7 -4.9 110 115 A S H X S+ 0 0 26 -4,-2.8 4,-1.6 1,-0.2 5,-0.2 0.913 108.9 49.9 -56.6 -50.6 7.0 -18.5 -3.4 111 116 A A H X S+ 0 0 51 -4,-3.2 4,-1.0 1,-0.2 -1,-0.2 0.858 114.7 49.2 -58.6 -30.4 7.2 -22.2 -2.7 112 117 A Y H < S+ 0 0 4 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.890 111.5 40.9 -78.3 -47.2 6.1 -22.8 -6.4 113 118 A I H < S+ 0 0 0 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.791 116.0 52.8 -79.8 -24.2 8.4 -20.5 -8.4 114 119 A K H < S+ 0 0 107 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.793 86.9 97.5 -74.5 -36.7 11.4 -21.4 -6.2 115 120 A N < + 0 0 29 -4,-1.0 -3,-0.0 -5,-0.2 6,-0.0 -0.333 44.4 176.7 -55.7 138.7 10.9 -25.2 -6.7 116 121 A S + 0 0 117 1,-0.0 -1,-0.1 4,-0.0 5,-0.1 0.443 47.8 104.6-115.4 -8.8 13.2 -26.6 -9.4 117 122 A N > - 0 0 85 3,-0.2 3,-1.7 1,-0.2 -2,-0.1 -0.639 56.1-158.4 -85.1 102.6 12.2 -30.3 -9.1 118 123 A P G > S+ 0 0 112 0, 0.0 3,-1.0 0, 0.0 4,-0.3 0.849 87.1 63.7 -45.3 -49.9 9.9 -31.3 -11.9 119 124 A A G 3 S+ 0 0 99 1,-0.3 2,-0.3 2,-0.1 3,-0.2 0.755 106.7 44.1 -49.6 -35.5 8.5 -34.3 -10.0 120 125 A L G < S+ 0 0 71 -3,-1.7 -1,-0.3 1,-0.1 4,-0.3 -0.483 84.5 100.7-105.4 57.9 7.0 -32.0 -7.4 121 126 A N S <> S+ 0 0 44 -3,-1.0 4,-2.4 -2,-0.3 5,-0.2 0.841 73.6 54.6 -96.4 -48.9 5.5 -29.4 -9.6 122 127 A D H > S+ 0 0 117 -4,-0.3 4,-2.4 1,-0.2 5,-0.2 0.788 105.1 55.2 -56.4 -40.0 1.8 -30.2 -9.8 123 128 A N H > S+ 0 0 106 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.969 113.4 40.1 -50.3 -61.7 1.4 -30.2 -6.0 124 129 A L H > S+ 0 0 30 -4,-0.3 4,-2.5 1,-0.2 -2,-0.2 0.865 117.2 49.1 -60.9 -40.6 2.8 -26.7 -5.6 125 130 A E H X S+ 0 0 58 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.871 113.2 45.9 -71.6 -39.6 1.0 -25.4 -8.7 126 131 A K H X S+ 0 0 129 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.840 111.3 53.8 -72.8 -37.6 -2.4 -26.9 -7.6 127 132 A G H X S+ 0 0 20 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.918 108.5 48.8 -56.4 -51.7 -1.8 -25.5 -4.1 128 133 A L H X S+ 0 0 0 -4,-2.5 4,-2.1 -20,-0.2 -2,-0.2 0.931 112.3 48.8 -52.9 -51.2 -1.3 -22.0 -5.5 129 134 A L H X S+ 0 0 41 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.882 108.8 54.1 -57.1 -40.8 -4.5 -22.3 -7.6 130 135 A K H X S+ 0 0 127 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.904 107.7 48.6 -61.6 -41.4 -6.4 -23.5 -4.6 131 136 A A H X S+ 0 0 2 -4,-2.0 4,-1.4 2,-0.2 -1,-0.2 0.877 110.9 50.6 -71.6 -34.8 -5.4 -20.5 -2.5 132 137 A L H X S+ 0 0 0 -4,-2.1 4,-3.1 2,-0.2 -1,-0.2 0.892 109.3 52.4 -60.5 -39.2 -6.4 -18.3 -5.5 133 138 A K H X S+ 0 0 68 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.883 105.9 54.0 -65.8 -38.3 -9.8 -20.2 -5.4 134 139 A V H X S+ 0 0 67 -4,-2.3 4,-1.2 2,-0.2 -1,-0.2 0.835 112.9 43.0 -64.8 -31.5 -10.1 -19.4 -1.7 135 140 A L H >X S+ 0 0 0 -4,-1.4 4,-2.4 2,-0.2 3,-0.5 0.963 110.1 54.0 -75.5 -55.0 -9.7 -15.7 -2.5 136 141 A D H 3X S+ 0 0 6 -4,-3.1 4,-1.5 1,-0.3 5,-0.2 0.900 109.5 51.8 -40.8 -51.6 -12.0 -15.7 -5.5 137 142 A N H 3X S+ 0 0 87 -4,-2.3 4,-1.0 1,-0.2 3,-0.3 0.873 108.0 49.2 -51.8 -47.1 -14.6 -17.3 -3.2 138 143 A Y H << S+ 0 0 17 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.2 0.842 111.2 52.1 -66.4 -32.5 -14.2 -14.6 -0.6 139 144 A L H < S+ 0 0 9 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.772 109.5 46.3 -76.0 -29.1 -14.5 -12.0 -3.3 140 145 A T H < S+ 0 0 34 -4,-1.5 18,-3.1 -3,-0.3 -1,-0.2 0.559 92.3 101.5 -90.1 -11.6 -17.7 -13.3 -4.7 141 146 A S S < S- 0 0 57 -4,-1.0 2,-0.2 -5,-0.2 16,-0.1 -0.566 80.7-117.0 -70.9 127.4 -19.3 -13.7 -1.3 142 147 A P - 0 0 56 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.485 29.8-137.0 -64.9 131.9 -21.7 -11.0 -0.3 143 148 A L >> - 0 0 9 -2,-0.2 3,-1.4 -4,-0.1 4,-1.3 -0.386 27.8-100.8 -80.1 162.3 -20.4 -9.0 2.7 144 149 A P T 34 S+ 0 0 90 0, 0.0 -1,-0.1 0, 0.0 -49,-0.0 0.880 123.6 61.8 -49.1 -43.6 -22.7 -8.0 5.7 145 150 A E T 34 S+ 0 0 160 1,-0.1 20,-0.0 2,-0.1 0, 0.0 0.836 108.4 42.7 -44.2 -42.7 -22.9 -4.5 4.1 146 151 A E T <4 + 0 0 38 -3,-1.4 -1,-0.1 1,-0.1 3,-0.0 0.998 60.7 147.1 -77.7 -72.2 -24.5 -6.0 1.0 147 152 A V < + 0 0 113 -4,-1.3 2,-0.3 1,-0.1 -1,-0.1 0.626 54.0 95.8 46.5 19.3 -27.1 -8.5 2.3 148 153 A D - 0 0 127 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 -0.993 59.8-157.3-142.7 131.1 -29.2 -7.5 -0.8 149 154 A E + 0 0 109 -2,-0.3 6,-0.1 1,-0.2 9,-0.1 -0.826 17.1 171.4-116.6 93.2 -29.4 -9.2 -4.2 150 155 A T + 0 0 150 -2,-0.7 -1,-0.2 4,-0.1 5,-0.1 0.954 62.8 54.5 -69.4 -58.6 -30.6 -6.7 -6.8 151 156 A S - 0 0 36 3,-0.2 0, 0.0 1,-0.1 0, 0.0 -0.272 65.9-152.8 -68.8 161.6 -30.1 -8.7 -10.0 152 157 A A S > S+ 0 0 64 3,-0.1 3,-0.7 2,-0.0 -1,-0.1 0.605 93.5 63.8-108.3 -24.8 -31.7 -12.1 -10.5 153 158 A E T 3 S+ 0 0 159 1,-0.3 2,-0.1 0, 0.0 -1,-0.0 0.733 114.7 35.0 -69.2 -24.9 -29.1 -13.4 -13.0 154 159 A D T > S+ 0 0 69 3,-0.1 3,-0.7 -5,-0.0 2,-0.4 -0.583 77.5 162.7-133.7 68.0 -26.6 -13.0 -10.1 155 160 A E T < S+ 0 0 129 -3,-0.7 3,-0.1 1,-0.2 -3,-0.1 -0.731 72.6 16.2 -83.4 135.1 -28.3 -13.9 -6.8 156 161 A G T 3 S+ 0 0 37 -2,-0.4 2,-0.4 1,-0.3 -1,-0.2 0.649 99.0 118.2 79.7 15.2 -25.9 -14.7 -4.0 157 162 A V < - 0 0 44 -3,-0.7 -1,-0.3 -16,-0.1 -16,-0.2 -0.947 64.1-120.5-117.1 135.9 -22.9 -13.1 -5.8 158 163 A S - 0 0 2 -18,-3.1 -17,-0.1 -2,-0.4 -9,-0.0 -0.490 16.4-167.2 -78.0 144.5 -21.0 -10.1 -4.4 159 164 A Q + 0 0 103 -2,-0.2 -1,-0.1 -18,-0.0 -19,-0.1 0.563 45.3 124.0-100.0 -15.2 -20.8 -6.8 -6.4 160 165 A R - 0 0 14 1,-0.1 6,-0.2 -21,-0.1 -2,-0.0 0.034 54.6-143.7 -59.5 154.1 -18.0 -5.1 -4.4 161 166 A K S S+ 0 0 72 4,-0.1 46,-0.2 46,-0.1 5,-0.2 0.831 75.4 27.8 -86.7 -33.2 -14.8 -3.8 -5.9 162 167 A F B > S-E 165 0C 2 3,-2.6 3,-0.9 45,-0.1 6,-0.1 -0.598 95.7 -80.0-126.5 179.4 -12.2 -4.5 -3.1 163 168 A L T 3 S+ 0 0 1 1,-0.2 5,-0.1 -2,-0.2 3,-0.1 0.854 123.4 21.5 -48.4 -43.1 -11.6 -6.9 -0.2 164 169 A D T 3 S- 0 0 17 3,-0.4 2,-0.3 1,-0.2 -1,-0.2 0.225 128.2 -58.6-117.3 8.5 -13.9 -5.2 2.4 165 170 A G B < S-E 162 0C 13 -3,-0.9 -3,-2.6 1,-0.1 -1,-0.2 -0.992 86.8 -34.0 146.4-152.4 -16.3 -3.2 0.2 166 171 A N S S+ 0 0 96 -2,-0.3 2,-0.4 -5,-0.2 -1,-0.1 0.476 112.6 73.9 -88.7 -5.2 -16.3 -0.5 -2.4 167 172 A E S S- 0 0 111 -5,-0.1 -3,-0.4 -76,-0.0 2,-0.2 -0.875 88.4-107.0-114.5 141.8 -13.3 1.3 -0.8 168 173 A L - 0 0 5 -2,-0.4 2,-0.2 -6,-0.1 -2,-0.1 -0.470 47.0-173.8 -55.6 124.6 -9.6 0.5 -0.7 169 174 A T >> - 0 0 14 -2,-0.2 4,-1.6 -4,-0.1 3,-0.7 -0.659 42.8 -91.5-115.1 176.3 -8.7 -0.7 2.8 170 175 A L H 3> S+ 0 0 16 -79,-2.6 4,-0.9 1,-0.2 -78,-0.1 0.817 124.5 60.7 -48.5 -33.3 -5.5 -1.7 4.8 171 176 A A H >> S+ 0 0 7 -80,-0.3 4,-2.3 1,-0.2 3,-0.6 0.902 102.0 49.2 -72.0 -34.9 -6.2 -5.2 3.7 172 177 A D H <> S+ 0 0 0 -3,-0.7 4,-2.8 1,-0.3 -1,-0.2 0.896 103.6 60.0 -67.9 -40.6 -5.9 -4.3 0.0 173 178 A C H 3< S+ 0 0 0 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.752 111.8 42.1 -55.0 -27.7 -2.6 -2.5 0.7 174 179 A N H X S+ 0 0 8 -4,-2.3 4,-3.4 2,-0.1 3,-0.6 0.947 107.9 60.3 -74.1 -47.1 -2.7 -8.3 -0.6 176 181 A L H 3X S+ 0 0 0 -4,-2.8 4,-1.8 1,-0.3 -3,-0.1 0.829 103.0 49.4 -61.7 -39.9 -2.4 -6.2 -4.0 177 182 A P H 3> S+ 0 0 0 0, 0.0 4,-1.4 0, 0.0 -1,-0.3 0.908 119.4 41.6 -59.3 -37.9 1.4 -5.7 -4.0 178 183 A K H S+ 0 0 2 -4,-1.9 6,-1.9 -5,-0.3 4,-1.8 0.846 113.6 47.4 -66.3 -40.3 4.1 -16.7 -12.9 187 192 A K H X5S+ 0 0 119 -4,-1.8 4,-0.9 4,-0.3 -2,-0.2 0.959 115.3 46.1 -62.0 -57.0 3.1 -15.3 -16.4 188 193 A K H <5S+ 0 0 113 -4,-2.0 -2,-0.2 -5,-0.3 -3,-0.1 0.892 124.9 27.1 -52.9 -48.6 6.8 -14.4 -17.2 189 194 A Y H <5S+ 0 0 63 -4,-2.3 -1,-0.2 -5,-0.1 -3,-0.2 0.698 135.8 15.8 -98.8 -23.6 8.4 -17.7 -16.1 190 195 A R H <5S- 0 0 87 -4,-1.8 -3,-0.2 -5,-0.2 -2,-0.1 0.512 89.1-118.0-129.8 -18.1 5.9 -20.5 -16.4 191 196 A G << + 0 0 59 -5,-1.1 2,-0.6 -4,-0.9 -4,-0.3 0.654 63.0 149.7 80.8 14.9 3.0 -19.3 -18.6 192 197 A F - 0 0 21 -6,-1.9 2,-0.3 -7,-0.1 -1,-0.3 -0.749 22.2-178.0 -85.0 118.8 0.7 -19.7 -15.6 193 198 A T - 0 0 86 -2,-0.6 3,-0.1 -3,-0.1 -10,-0.0 -0.827 39.9 -99.7-109.5 157.3 -2.2 -17.3 -15.5 194 199 A I - 0 0 9 -2,-0.3 4,-0.0 1,-0.1 -65,-0.0 -0.681 57.6-103.6 -68.4 116.4 -4.9 -16.9 -12.9 195 200 A P > - 0 0 43 0, 0.0 3,-1.7 0, 0.0 7,-0.2 -0.138 20.9-125.8 -47.6 141.7 -7.7 -18.9 -14.6 196 201 A E T 3 S+ 0 0 152 1,-0.3 6,-0.1 5,-0.1 -2,-0.1 0.757 106.5 71.0 -62.2 -22.2 -10.4 -16.5 -16.2 197 202 A A T 3 S+ 0 0 70 1,-0.2 2,-1.8 2,-0.1 -1,-0.3 0.596 73.9 85.3 -75.6 -7.1 -13.1 -18.4 -14.2 198 203 A F <> + 0 0 23 -3,-1.7 4,-2.0 1,-0.2 -1,-0.2 -0.561 60.0 162.6 -83.9 69.9 -11.7 -16.8 -11.1 199 204 A R H > + 0 0 146 -2,-1.8 4,-2.3 1,-0.2 5,-0.2 0.818 66.0 55.2 -70.4 -33.6 -14.0 -13.9 -11.9 200 205 A G H > S+ 0 0 3 -3,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.945 109.0 48.0 -59.7 -48.3 -13.9 -12.3 -8.5 201 206 A V H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.942 113.8 47.0 -59.0 -43.4 -10.1 -12.2 -8.6 202 207 A H H X S+ 0 0 37 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.858 112.5 48.6 -71.6 -34.2 -10.1 -10.7 -12.1 203 208 A R H X S+ 0 0 76 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.906 110.9 52.8 -63.4 -48.8 -12.8 -8.0 -11.1 204 209 A Y H X S+ 0 0 3 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.905 112.2 43.4 -53.0 -50.7 -10.7 -7.2 -8.1 205 210 A L H X S+ 0 0 6 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.786 110.5 54.6 -72.9 -30.8 -7.5 -6.6 -10.1 206 211 A S H X S+ 0 0 80 -4,-1.7 4,-0.5 2,-0.2 -1,-0.2 0.913 112.2 45.5 -66.2 -42.8 -9.3 -4.7 -12.8 207 212 A N H < S+ 0 0 51 -4,-2.5 3,-0.5 -46,-0.2 -2,-0.2 0.900 113.2 48.2 -67.2 -41.4 -10.6 -2.3 -10.1 208 213 A A H >< S+ 0 0 0 -4,-2.0 3,-1.5 1,-0.2 7,-0.4 0.843 107.2 54.9 -70.5 -35.0 -7.3 -2.0 -8.3 209 214 A Y H 3< S+ 0 0 79 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.640 102.6 60.1 -74.0 -9.5 -5.4 -1.3 -11.5 210 215 A A T 3< S+ 0 0 81 -4,-0.5 2,-0.5 -3,-0.5 -1,-0.3 0.381 90.1 87.6 -93.9 5.0 -7.9 1.6 -12.0 211 216 A R X> - 0 0 48 -3,-1.5 4,-2.7 1,-0.1 3,-1.2 -0.925 69.0-153.1-100.4 124.3 -6.7 3.0 -8.7 212 217 A E H 3> S+ 0 0 114 -2,-0.5 4,-2.0 1,-0.3 5,-0.2 0.779 94.3 67.4 -64.0 -27.3 -3.7 5.4 -9.0 213 218 A E H 34 S+ 0 0 14 2,-0.2 -1,-0.3 1,-0.2 -183,-0.1 0.821 113.1 29.5 -61.3 -35.2 -2.8 4.5 -5.4 214 219 A F H X4 S+ 0 0 1 -3,-1.2 3,-0.7 -6,-0.4 4,-0.3 0.891 120.6 50.6 -86.0 -52.6 -2.0 0.9 -6.6 215 220 A A H >< S+ 0 0 47 -4,-2.7 3,-0.6 -7,-0.4 -3,-0.2 0.803 110.9 47.2 -58.5 -40.0 -0.9 1.6 -10.2 216 221 A S T 3< S+ 0 0 73 -4,-2.0 -1,-0.2 1,-0.2 -3,-0.1 0.570 111.3 52.2 -85.1 -9.7 1.6 4.3 -9.4 217 222 A T T < S+ 0 0 1 -3,-0.7 -1,-0.2 -5,-0.2 -2,-0.2 0.428 84.7 106.0-102.1 2.6 3.2 2.4 -6.6 218 223 A C S < S- 0 0 24 -3,-0.6 3,-0.1 -4,-0.3 -202,-0.1 -0.664 73.3-124.7 -79.9 127.2 3.8 -0.7 -8.7 219 224 A P - 0 0 8 0, 0.0 -202,-0.1 0, 0.0 5,-0.1 -0.339 47.3 -74.8 -59.7 155.2 7.4 -1.3 -9.6 220 225 A D > - 0 0 89 -204,-0.4 4,-1.3 1,-0.1 3,-0.2 -0.185 40.5-121.7 -37.0 138.0 8.1 -1.6 -13.3 221 226 A D H >> S+ 0 0 92 1,-0.2 4,-1.9 2,-0.2 3,-0.6 0.934 114.8 56.3 -48.3 -51.5 7.0 -5.0 -14.6 222 227 A E H 3> S+ 0 0 129 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.791 102.6 55.4 -49.8 -43.3 10.6 -5.6 -15.7 223 228 A E H 3> S+ 0 0 16 -3,-0.2 4,-1.4 2,-0.2 -205,-0.3 0.815 107.1 47.8 -65.8 -37.2 11.9 -4.9 -12.2 224 229 A I H X S+ 0 0 32 -4,-1.9 4,-0.7 1,-0.2 3,-0.6 0.911 109.7 47.3 -65.7 -45.5 10.9 -10.0 -13.4 226 231 A L H >< S+ 0 0 84 -4,-2.5 3,-0.8 1,-0.2 4,-0.5 0.885 108.0 57.5 -61.7 -36.6 14.6 -9.3 -12.9 227 232 A A H 3< S+ 0 0 63 -4,-1.4 -1,-0.2 1,-0.3 4,-0.2 0.727 114.4 36.9 -71.2 -23.9 14.2 -9.8 -9.2 228 233 A Y H