==== 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 ISOMERASE 18-JUL-06 2HQ6 . COMPND 2 MOLECULE: SEROLOGICALLY DEFINED COLON CANCER ANTIGEN 10; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.R.WALKER,T.DAVIS,R.PARAMANATHAN,E.M.NEWMAN,P.J.FINERTY JR. . 170 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8305.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 106 62.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 47 27.6 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 . 2 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.2 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 . 12 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 18 10.6 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+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 0 0 1 0 0 0 0 0 1 0 0 0 0 0 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 . 3 1 4 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 3 A V 0 0 174 0, 0.0 4,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 102.5 44.7 15.5 27.7 2 4 A P > - 0 0 97 0, 0.0 3,-1.3 0, 0.0 2,-0.1 -0.282 360.0-103.5 -60.5 145.7 42.2 16.0 24.8 3 5 A R T 3 S+ 0 0 248 1,-0.3 3,-0.1 2,-0.0 0, 0.0 -0.392 111.8 30.9 -57.0 140.1 39.7 13.3 23.8 4 6 A G T 3 S+ 0 0 35 1,-0.2 -1,-0.3 -3,-0.1 86,-0.2 0.699 85.1 173.4 80.9 19.0 40.8 11.6 20.7 5 7 A S < - 0 0 42 -3,-1.3 -1,-0.2 -4,-0.1 -2,-0.0 -0.400 20.3-143.0 -64.2 130.7 44.4 12.3 21.7 6 8 A E - 0 0 41 -2,-0.1 83,-0.1 1,-0.1 3,-0.1 -0.593 17.2-101.5 -98.4 155.5 46.7 10.5 19.2 7 9 A P - 0 0 27 0, 0.0 -1,-0.1 0, 0.0 23,-0.0 -0.273 53.9 -83.2 -66.4 163.1 50.0 8.7 19.9 8 10 A P - 0 0 115 0, 0.0 21,-0.2 0, 0.0 2,-0.2 -0.345 45.3-127.3 -68.9 148.9 53.2 10.6 19.0 9 11 A T - 0 0 44 18,-0.1 2,-0.2 -3,-0.1 18,-0.2 -0.527 18.7-166.8 -90.0 167.5 54.4 10.5 15.4 10 12 A N B +a 27 0A 79 16,-3.5 18,-0.6 -2,-0.2 2,-0.1 -0.785 56.6 39.9-159.2 104.0 57.9 9.5 14.3 11 13 A G - 0 0 7 -2,-0.2 15,-3.0 156,-0.1 2,-0.4 -0.274 60.9-145.7 121.1 140.6 58.9 10.1 10.7 12 14 A K E -BC 25 166B 51 154,-2.2 154,-2.0 13,-0.2 153,-1.5 -0.992 11.3-175.6-146.1 132.3 58.3 13.1 8.4 13 15 A V E -BC 24 164B 0 11,-2.3 11,-3.3 -2,-0.4 2,-0.5 -0.983 12.3-152.2-128.7 139.3 57.8 13.4 4.6 14 16 A L E -BC 23 163B 23 149,-3.0 149,-2.2 -2,-0.4 2,-0.5 -0.966 6.8-162.4-114.7 116.9 57.4 16.6 2.6 15 17 A L E -BC 22 162B 0 7,-3.1 7,-2.7 -2,-0.5 2,-0.9 -0.903 7.7-152.8 -95.3 128.0 55.4 16.5 -0.6 16 18 A K E +BC 21 161B 69 145,-3.2 144,-2.7 -2,-0.5 145,-1.4 -0.877 31.1 174.6 -99.2 103.7 56.0 19.5 -2.9 17 19 A T E > -BC 20 159B 14 3,-1.9 3,-2.0 -2,-0.9 142,-0.2 -0.657 50.0-108.4-111.9 167.0 52.8 19.7 -4.7 18 20 A T T 3 S+ 0 0 83 140,-2.4 141,-0.1 1,-0.3 3,-0.1 0.512 123.2 53.8 -69.4 -4.0 51.1 22.0 -7.3 19 21 A A T 3 S- 0 0 2 1,-0.5 -1,-0.3 139,-0.3 2,-0.2 0.224 126.5 -90.3-104.8 6.3 48.9 23.2 -4.4 20 22 A G E < -B 17 0B 22 -3,-2.0 -3,-1.9 121,-0.1 -1,-0.5 -0.530 65.9 -31.9 111.5-178.1 51.9 24.0 -2.1 21 23 A D E -B 16 0B 76 -5,-0.2 2,-0.4 -2,-0.2 117,-0.2 -0.547 49.5-163.7 -78.1 141.1 54.0 22.0 0.4 22 24 A I E -B 15 0B 0 -7,-2.7 -7,-3.1 -2,-0.2 2,-0.6 -0.992 4.0-158.4-128.9 124.2 52.4 19.3 2.4 23 25 A D E -B 14 0B 25 -2,-0.4 109,-2.6 -9,-0.2 2,-0.5 -0.897 8.8-164.9-111.7 120.9 54.2 18.1 5.5 24 26 A I E -BD 13 131B 0 -11,-3.3 -11,-2.3 -2,-0.6 2,-0.4 -0.924 8.4-155.3-115.6 123.8 53.2 14.6 6.8 25 27 A E E -BD 12 130B 48 105,-3.2 105,-2.2 -2,-0.5 2,-0.4 -0.842 24.6-135.1 -94.9 133.4 54.0 13.3 10.2 26 28 A L E - D 0 129B 0 -15,-3.0 -16,-3.5 -2,-0.4 2,-1.3 -0.748 16.3-146.8-101.8 140.6 54.1 9.5 10.3 27 29 A W B > +a 10 0A 1 101,-2.5 4,-2.3 -2,-0.4 8,-0.2 -0.590 38.8 157.6 -90.4 68.4 52.7 6.9 12.7 28 30 A S T 4 + 0 0 10 -2,-1.3 -1,-0.2 -18,-0.6 8,-0.1 0.728 67.8 53.9 -69.4 -24.6 55.6 4.5 12.0 29 31 A K T 4 S+ 0 0 178 -21,-0.2 -1,-0.2 -3,-0.2 -2,-0.1 0.927 117.2 35.3 -73.0 -43.6 55.2 2.7 15.4 30 32 A E T 4 S+ 0 0 28 1,-0.2 -2,-0.2 2,-0.1 -1,-0.1 0.765 133.9 25.4 -81.9 -30.4 51.5 1.9 14.8 31 33 A A X + 0 0 0 -4,-2.3 4,-2.9 97,-0.1 -1,-0.2 -0.455 69.7 155.4-135.1 60.4 51.6 1.4 11.0 32 34 A P H > S+ 0 0 52 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.843 74.0 51.2 -61.9 -40.1 55.2 0.3 10.3 33 35 A K H > S+ 0 0 90 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.940 114.4 43.1 -63.7 -44.7 54.4 -1.6 7.0 34 36 A A H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.908 116.2 48.4 -66.7 -42.9 52.5 1.4 5.6 35 37 A C H X S+ 0 0 0 -4,-2.9 4,-2.7 2,-0.2 -2,-0.2 0.906 112.1 47.5 -66.1 -41.1 55.1 3.9 6.8 36 38 A R H X S+ 0 0 115 -4,-2.5 4,-2.7 -5,-0.2 5,-0.3 0.934 113.3 49.8 -64.3 -45.4 58.1 1.9 5.4 37 39 A N H X S+ 0 0 0 -4,-2.2 4,-2.6 -5,-0.2 5,-0.3 0.948 113.5 45.6 -57.3 -49.5 56.2 1.5 2.0 38 40 A F H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.922 114.4 47.4 -63.8 -43.7 55.5 5.2 1.9 39 41 A I H X S+ 0 0 4 -4,-2.7 4,-3.0 2,-0.2 -1,-0.2 0.931 113.8 46.8 -63.0 -45.2 59.0 6.3 2.8 40 42 A Q H X S+ 0 0 68 -4,-2.7 4,-2.1 2,-0.2 6,-0.2 0.922 113.3 47.5 -69.9 -42.6 60.7 3.9 0.3 41 43 A L H <>S+ 0 0 3 -4,-2.6 5,-2.3 -5,-0.3 6,-0.6 0.919 112.1 51.7 -60.7 -44.5 58.4 4.8 -2.6 42 44 A a H ><5S+ 0 0 3 -4,-2.2 3,-1.5 -5,-0.3 120,-0.3 0.947 112.3 45.7 -52.7 -54.3 59.1 8.5 -1.7 43 45 A L H 3<5S+ 0 0 108 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.794 108.2 56.1 -61.5 -33.3 62.8 7.9 -1.8 44 46 A E T 3<5S- 0 0 112 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.343 112.9-117.5 -82.9 6.8 62.7 5.9 -5.0 45 47 A A T X 5S+ 0 0 49 -3,-1.5 3,-1.0 -4,-0.1 -3,-0.2 0.633 73.1 136.7 70.0 13.4 61.0 8.8 -6.7 46 48 A Y T 3 S+ 0 0 0 -6,-0.6 3,-1.2 -5,-0.1 -1,-0.3 0.497 86.7 115.9 -90.9 -8.4 55.5 9.4 -6.3 48 50 A D T < S+ 0 0 57 -3,-1.0 112,-0.2 1,-0.3 113,-0.2 -0.414 85.1 9.0 -62.7 139.7 57.3 12.2 -8.3 49 51 A N T 3 S+ 0 0 110 110,-1.5 2,-0.3 111,-0.5 -1,-0.3 0.848 96.4 139.6 58.5 36.7 55.2 13.7 -11.1 50 52 A T E < -E 159 0B 6 -3,-1.2 109,-3.0 109,-1.1 -1,-0.2 -0.865 43.5-131.3-110.6 153.3 52.0 11.8 -10.0 51 53 A I E -E 158 0B 27 14,-0.5 2,-0.9 -2,-0.3 13,-0.6 -0.472 15.9-119.9-100.0 167.5 48.6 13.3 -10.0 52 54 A F + 0 0 0 105,-2.5 105,-0.4 11,-0.2 11,-0.3 -0.877 40.4 177.3-102.0 94.9 45.8 13.5 -7.5 53 55 A H + 0 0 11 -2,-0.9 2,-0.4 9,-0.2 10,-0.2 0.521 53.9 50.6 -84.6 -11.3 43.3 11.7 -9.7 54 56 A R E +F 62 0B 79 8,-1.7 8,-3.1 98,-0.2 2,-0.4 -0.985 53.8 174.0-139.0 127.0 40.3 11.4 -7.4 55 57 A V E -F 61 0B 1 96,-2.4 6,-0.2 -2,-0.4 88,-0.0 -0.994 8.3-175.9-133.5 125.0 38.4 14.1 -5.4 56 58 A V E >> -F 60 0B 30 4,-2.8 3,-2.7 -2,-0.4 4,-1.3 -0.951 40.3-115.2-117.6 104.2 35.2 13.6 -3.5 57 59 A P T 34 S+ 0 0 100 0, 0.0 4,-0.1 0, 0.0 87,-0.0 -0.030 93.7 1.2 -44.3 125.7 34.3 17.0 -2.1 58 60 A G T 34 S+ 0 0 57 1,-0.1 59,-0.2 57,-0.1 3,-0.1 0.517 131.0 61.6 78.2 2.0 34.3 17.2 1.6 59 61 A F T <4 S- 0 0 46 -3,-2.7 56,-2.8 1,-0.3 57,-1.0 0.663 103.0 -22.4-123.0 -71.7 35.5 13.6 1.9 60 62 A I E < -FG 56 114B 4 -4,-1.3 -4,-2.8 54,-0.3 2,-0.4 -0.978 30.3-152.8-146.9 153.5 38.9 12.7 0.3 61 63 A V E -FG 55 113B 0 52,-1.9 52,-2.4 -2,-0.3 2,-0.3 -0.993 30.0-164.9-123.7 132.6 41.5 13.5 -2.2 62 64 A Q E +FG 54 112B 15 -8,-3.1 -8,-1.7 -2,-0.4 50,-0.3 -0.876 20.8 138.0-127.1 143.8 43.4 10.5 -3.5 63 65 A G E + G 0 111B 0 48,-2.9 48,-1.4 -2,-0.3 -11,-0.2 -0.640 23.9 110.1-152.3-152.9 46.7 10.0 -5.4 64 66 A G + 0 0 0 -13,-0.6 -12,-0.1 46,-0.3 -1,-0.1 0.612 48.0 129.5 77.7 15.7 49.8 7.9 -5.5 65 67 A D > - 0 0 1 -14,-0.5 3,-1.3 1,-0.1 -14,-0.5 -0.904 46.9-156.6-101.8 112.5 49.0 6.0 -8.7 66 68 A P T 3 S+ 0 0 62 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.723 95.6 51.8 -62.7 -20.0 52.1 6.2 -11.1 67 69 A T T 3 S- 0 0 81 -3,-0.1 -17,-0.0 -17,-0.0 -2,-0.0 0.617 98.0-139.8 -85.4 -17.6 49.7 5.6 -14.0 68 70 A G S < S+ 0 0 9 -3,-1.3 -18,-0.0 -17,-0.1 -3,-0.0 0.463 74.3 108.9 70.8 1.6 47.3 8.4 -13.0 69 71 A T S S- 0 0 92 1,-0.0 -1,-0.1 0, 0.0 0, 0.0 0.739 87.4-117.8 -83.4 -23.1 44.4 6.2 -14.0 70 72 A G S S+ 0 0 23 -16,-0.0 -1,-0.0 -5,-0.0 40,-0.0 0.204 102.7 68.5 103.5 -14.0 43.0 5.4 -10.6 71 73 A S S S+ 0 0 116 -6,-0.0 2,-0.0 39,-0.0 39,-0.0 0.444 83.2 82.4-115.7 -3.9 43.7 1.6 -10.8 72 74 A G + 0 0 18 2,-0.0 38,-0.3 36,-0.0 37,-0.3 -0.143 44.5 86.7 -97.3-171.4 47.5 1.4 -10.8 73 75 A G - 0 0 24 -8,-0.1 2,-0.3 36,-0.1 36,-0.1 0.306 42.3-149.7 95.0 139.3 50.3 1.4 -8.3 74 76 A E - 0 0 141 34,-0.2 34,-0.2 35,-0.1 -2,-0.0 -0.956 18.0-110.7-139.1 155.4 52.0 -1.3 -6.2 75 77 A S > - 0 0 13 -2,-0.3 3,-0.6 32,-0.3 34,-0.1 -0.175 31.7-109.7 -74.9 174.5 53.7 -1.6 -2.8 76 78 A I T 3 S+ 0 0 39 32,-0.2 -1,-0.1 1,-0.2 32,-0.0 0.510 107.7 74.2 -80.4 -6.3 57.5 -2.2 -2.2 77 79 A Y T 3 S- 0 0 95 2,-0.3 -1,-0.2 31,-0.1 31,-0.0 0.516 107.2-111.8 -93.1 -8.2 56.7 -5.7 -1.0 78 80 A G S < S+ 0 0 75 -3,-0.6 -2,-0.1 1,-0.1 -1,-0.0 0.330 96.5 38.9 92.0 -8.2 55.9 -7.5 -4.3 79 81 A A S S- 0 0 55 28,-0.1 -2,-0.3 29,-0.1 -1,-0.1 -0.962 105.2 -72.7-159.9 161.1 52.2 -7.9 -3.4 80 82 A P - 0 0 74 0, 0.0 28,-0.2 0, 0.0 2,-0.2 -0.316 57.7-134.5 -61.4 145.7 49.6 -5.8 -1.6 81 83 A F B -J 107 0C 13 26,-2.0 26,-2.0 1,-0.1 -3,-0.0 -0.564 19.5 -80.8-110.5 168.1 50.2 -5.6 2.1 82 84 A K - 0 0 94 -2,-0.2 -1,-0.1 23,-0.2 2,-0.1 -0.143 42.2-106.5 -68.6 155.1 48.2 -6.0 5.3 83 85 A D - 0 0 10 40,-0.1 2,-0.3 -50,-0.1 -1,-0.1 -0.430 26.0-158.7 -72.3 152.0 46.1 -3.4 7.0 84 86 A E + 0 0 13 -2,-0.1 43,-0.5 -53,-0.1 2,-0.3 -0.867 16.7 174.3-136.0 107.2 47.3 -1.8 10.2 85 87 A F - 0 0 80 -2,-0.3 2,-0.3 41,-0.1 41,-0.1 -0.683 11.8-169.2-109.5 160.7 44.7 -0.2 12.5 86 88 A H B > -K 89 0D 69 3,-0.5 3,-1.8 -2,-0.3 37,-0.1 -0.981 28.5-131.1-149.6 139.1 44.9 1.4 15.9 87 89 A S T 3 S+ 0 0 93 -2,-0.3 -1,-0.0 1,-0.3 35,-0.0 0.700 109.9 51.4 -66.3 -19.6 42.0 2.4 18.2 88 90 A R T 3 S+ 0 0 135 1,-0.1 2,-0.7 -3,-0.0 -1,-0.3 0.393 95.4 75.0 -96.1 -1.1 43.7 5.8 18.7 89 91 A L B < S+K 86 0D 7 -3,-1.8 -3,-0.5 -83,-0.1 2,-0.3 -0.925 70.1 157.8-111.1 99.7 44.1 6.5 15.0 90 92 A R - 0 0 52 -2,-0.7 2,-2.2 -86,-0.2 3,-0.3 -0.921 54.6-116.0-129.7 153.2 40.5 7.3 13.9 91 93 A F S S+ 0 0 1 -2,-0.3 27,-2.2 1,-0.2 28,-0.2 -0.370 72.5 123.9 -82.8 58.7 38.9 9.2 11.0 92 94 A N + 0 0 43 -2,-2.2 2,-0.3 25,-0.2 -1,-0.2 0.316 69.1 24.0-105.4 9.7 37.4 11.8 13.3 93 95 A R S S- 0 0 83 23,-0.3 3,-0.4 -3,-0.3 23,-0.2 -0.976 83.7 -94.1-162.6 163.9 38.9 14.9 11.7 94 96 A R S S+ 0 0 141 -2,-0.3 21,-0.2 21,-0.2 23,-0.1 -0.385 93.0 56.4 -81.2 157.7 40.2 16.3 8.5 95 97 A G S S+ 0 0 0 19,-2.9 36,-3.1 1,-0.3 2,-0.2 0.644 70.3 132.7 96.6 19.1 43.9 16.2 7.6 96 98 A L E -H 130 0B 0 -3,-0.4 18,-2.2 34,-0.2 2,-0.5 -0.659 47.2-138.9 -98.7 160.2 44.7 12.5 8.0 97 99 A V E +HI 129 113B 0 32,-2.7 31,-2.2 -2,-0.2 32,-1.6 -0.970 30.4 165.9-123.5 125.9 46.7 10.4 5.6 98 100 A A E -HI 127 112B 0 14,-2.6 14,-2.7 -2,-0.5 2,-0.4 -0.935 36.7 -99.4-141.3 158.6 45.5 6.8 4.8 99 101 A M E - I 0 111B 0 27,-2.4 12,-0.3 -2,-0.3 27,-0.2 -0.669 31.3-133.1 -83.0 137.0 46.0 4.0 2.4 100 102 A A + 0 0 9 10,-1.9 8,-0.5 -2,-0.4 2,-0.3 -0.416 35.7 163.2 -70.8 154.1 43.5 3.4 -0.5 101 103 A N - 0 0 40 6,-0.1 6,-0.1 -2,-0.1 3,-0.1 -0.981 44.3-140.0-163.5 169.5 42.3 -0.1 -1.0 102 104 A A S S- 0 0 96 4,-0.4 2,-0.3 -2,-0.3 5,-0.1 -0.025 85.5 -23.2-123.2 29.7 39.7 -2.2 -2.7 103 105 A G S > S- 0 0 35 21,-0.2 3,-0.6 3,-0.1 -1,-0.2 -0.932 98.6 -29.0 156.9-175.8 39.3 -4.7 0.1 104 106 A S T 3 S+ 0 0 97 -2,-0.3 -2,-0.1 1,-0.2 21,-0.1 -0.419 121.2 2.4 -62.5 140.9 41.0 -6.2 3.2 105 107 A H T 3 S+ 0 0 110 1,-0.1 -1,-0.2 -2,-0.1 -23,-0.2 0.891 93.1 127.5 55.7 47.7 44.8 -6.4 3.2 106 108 A D < + 0 0 57 -3,-0.6 2,-0.4 -26,-0.0 -4,-0.4 -0.244 23.5 149.6-136.4 38.7 45.0 -4.7 -0.2 107 109 A N B +J 81 0C 0 -26,-2.0 -26,-2.0 -6,-0.1 -32,-0.3 -0.674 7.6 151.8 -82.6 129.8 47.5 -1.8 0.3 108 110 A G - 0 0 16 -8,-0.5 -34,-0.2 -2,-0.4 -32,-0.2 0.304 65.4 -62.4-121.9-112.2 49.5 -0.8 -2.7 109 111 A S S S+ 0 0 1 -37,-0.3 -36,-0.1 -34,-0.1 -46,-0.1 0.600 96.1 103.6-116.9 -23.0 50.9 2.7 -3.3 110 112 A Q + 0 0 22 -38,-0.3 -10,-1.9 -37,-0.1 -2,-0.3 -0.370 44.5 168.3 -66.7 140.5 47.7 4.8 -3.6 111 113 A F E -GI 63 99B 0 -48,-1.4 -48,-2.9 -12,-0.3 2,-0.3 -0.898 15.7-151.0-144.7 167.4 46.9 6.9 -0.6 112 114 A F E -GI 62 98B 3 -14,-2.7 -14,-2.6 -2,-0.3 2,-0.4 -0.978 12.0-131.3-144.4 156.3 44.5 9.8 0.3 113 115 A F E -GI 61 97B 0 -52,-2.4 -52,-1.9 -2,-0.3 2,-0.5 -0.879 30.2-121.3-102.1 142.3 44.0 12.8 2.5 114 116 A T E -G 60 0B 0 -18,-2.2 -19,-2.9 -2,-0.4 -54,-0.3 -0.712 21.6-174.1 -87.5 130.3 40.8 13.3 4.5 115 117 A L S S- 0 0 12 -56,-2.8 -21,-0.2 -2,-0.5 2,-0.2 0.576 75.5 -8.1 -94.2 -17.6 39.0 16.5 3.7 116 118 A G S S- 0 0 17 -57,-1.0 -23,-0.3 1,-0.2 2,-0.1 -0.615 105.3 -43.3-144.4-148.4 36.4 15.9 6.5 117 119 A R - 0 0 143 -2,-0.2 -1,-0.2 -59,-0.2 -25,-0.2 -0.419 41.5-179.1 -79.3 163.6 35.4 13.1 8.9 118 120 A A > + 0 0 0 -27,-2.2 3,-2.8 -2,-0.1 4,-0.4 -0.104 17.4 155.7-156.0 49.5 35.3 9.6 7.5 119 121 A D G > S+ 0 0 65 1,-0.3 3,-1.9 -28,-0.2 -28,-0.2 0.789 70.2 68.0 -47.6 -34.2 34.2 7.4 10.5 120 122 A E G 3 S+ 0 0 116 1,-0.3 -1,-0.3 -29,-0.1 -3,-0.0 0.665 95.6 57.4 -65.4 -15.6 32.8 4.8 8.1 121 123 A L G X> S+ 0 0 23 -3,-2.8 3,-2.2 -30,-0.1 4,-1.7 0.543 76.6 119.6 -89.8 -8.8 36.4 4.1 7.1 122 124 A N T <4 S+ 0 0 26 -3,-1.9 -32,-0.1 -4,-0.4 4,-0.1 -0.311 85.4 11.4 -54.0 137.0 37.6 3.3 10.6 123 125 A N T 34 S+ 0 0 96 2,-0.3 -1,-0.3 -37,-0.1 3,-0.1 0.658 122.7 72.2 67.0 12.5 38.9 -0.3 10.8 124 126 A K T <4 S+ 0 0 129 -3,-2.2 2,-0.4 1,-0.4 -2,-0.2 0.566 94.6 39.9-123.7 -31.6 38.9 -0.5 7.0 125 127 A H S < S- 0 0 27 -4,-1.7 -1,-0.4 -21,-0.1 2,-0.3 -0.988 82.7-115.0-126.4 137.3 41.7 1.8 5.9 126 128 A T - 0 0 0 -2,-0.4 -27,-2.4 -27,-0.2 2,-0.6 -0.526 22.5-153.3 -66.0 123.6 45.2 2.1 7.4 127 129 A I E + H 0 98B 7 -43,-0.5 -29,-0.3 -2,-0.3 3,-0.1 -0.904 27.3 160.9 -95.1 120.6 45.7 5.6 8.8 128 130 A F E + 0 0 0 -31,-2.2 -101,-2.5 -2,-0.6 2,-0.3 0.492 53.1 8.6-121.8 -5.6 49.5 6.1 8.7 129 131 A G E -DH 26 97B 0 -32,-1.6 -32,-2.7 -103,-0.3 2,-0.3 -0.976 53.8-138.9-161.1 174.0 50.2 9.9 8.9 130 132 A K E -DH 25 96B 56 -105,-2.2 -105,-3.2 -2,-0.3 2,-0.3 -0.991 26.1-115.4-141.0 153.4 48.7 13.3 9.5 131 133 A V E -D 24 0B 5 -36,-3.1 -107,-0.2 -2,-0.3 5,-0.1 -0.667 38.8-106.3 -87.6 138.1 49.3 16.7 7.8 132 134 A T >> - 0 0 14 -109,-2.6 3,-2.0 -2,-0.3 4,-1.0 -0.252 27.7-115.1 -58.6 150.1 50.9 19.4 10.0 133 135 A G G >4 S+ 0 0 72 1,-0.3 3,-0.7 2,-0.2 4,-0.4 0.882 116.4 54.3 -52.6 -39.1 48.5 22.2 11.1 134 136 A D G 34 S+ 0 0 134 1,-0.2 -1,-0.3 2,-0.1 4,-0.1 0.492 111.7 43.2 -83.8 -2.0 50.5 24.7 9.0 135 137 A T G <> S+ 0 0 11 -3,-2.0 4,-2.0 -112,-0.2 -1,-0.2 0.387 83.9 94.6-117.9 2.3 50.1 22.6 5.7 136 138 A V H S+ 0 0 149 -4,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.923 107.8 45.4 -64.3 -42.1 45.4 24.6 3.9 138 140 A N H > S+ 0 0 33 -117,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.884 111.1 53.5 -64.2 -39.9 47.6 23.4 1.0 139 141 A M H >< S+ 0 0 0 -4,-2.0 3,-0.7 1,-0.2 4,-0.4 0.925 110.1 47.5 -59.4 -43.8 46.3 19.8 1.5 140 142 A L H >< S+ 0 0 36 -4,-2.8 3,-1.7 1,-0.3 4,-0.2 0.862 102.4 63.9 -69.5 -32.1 42.7 21.2 1.2 141 143 A R H >< S+ 0 0 81 -4,-1.8 3,-1.9 1,-0.3 -1,-0.3 0.800 85.9 72.3 -62.6 -26.1 43.7 23.1 -1.9 142 144 A L T << S+ 0 0 1 -4,-1.0 15,-0.4 -3,-0.7 -1,-0.3 0.825 100.9 47.6 -53.5 -28.3 44.4 19.8 -3.7 143 145 A S T < S+ 0 0 32 -3,-1.7 2,-2.1 -4,-0.4 -1,-0.3 0.452 81.4 100.7 -92.5 -3.7 40.6 19.5 -3.7 144 146 A E < + 0 0 133 -3,-1.9 2,-0.3 -4,-0.2 -1,-0.1 -0.509 64.6 113.4 -82.4 69.0 39.9 23.1 -5.0 145 147 A V S S- 0 0 35 -2,-2.1 2,-0.4 12,-0.0 -3,-0.0 -0.948 75.3-105.2-144.1 150.4 39.3 21.8 -8.5 146 148 A D - 0 0 123 -2,-0.3 8,-2.6 9,-0.1 9,-0.5 -0.684 47.3-153.1 -73.5 135.5 36.6 21.4 -11.2 147 149 A I B -L 153 0E 48 -2,-0.4 2,-0.0 6,-0.3 -93,-0.0 -0.936 10.0-138.3-123.9 137.8 35.6 17.7 -11.2 148 150 A D > - 0 0 66 4,-3.1 3,-1.2 -2,-0.4 6,-0.0 -0.188 43.5 -90.8 -74.8 179.1 34.2 15.3 -13.9 149 151 A D T 3 S+ 0 0 160 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.519 123.8 59.0 -76.8 -5.3 31.4 12.7 -13.2 150 152 A D T 3 S- 0 0 131 2,-0.2 -1,-0.3 0, 0.0 -2,-0.0 -0.033 122.5-102.5-106.3 22.6 34.0 9.9 -12.4 151 153 A E S < S+ 0 0 75 -3,-1.2 -96,-2.4 1,-0.2 -2,-0.1 0.613 80.2 137.8 66.7 17.4 35.4 12.1 -9.6 152 154 A R - 0 0 90 -98,-0.2 -4,-3.1 4,-0.0 -1,-0.2 -0.809 55.2-123.0 -97.4 127.7 38.4 13.1 -11.7 153 155 A P B -L 147 0E 3 0, 0.0 -6,-0.3 0, 0.0 -1,-0.0 -0.374 11.7-134.1 -60.5 145.3 39.6 16.7 -11.7 154 156 A H S S+ 0 0 136 -8,-2.6 -7,-0.1 1,-0.3 -2,-0.0 0.908 107.4 21.8 -63.2 -39.5 39.7 18.3 -15.1 155 157 A N S S- 0 0 119 -9,-0.5 -1,-0.3 -3,-0.0 -9,-0.1 -0.771 92.9-154.2-128.6 80.8 43.2 19.7 -14.1 156 158 A P - 0 0 36 0, 0.0 -103,-0.1 0, 0.0 2,-0.1 -0.269 15.4-120.8 -54.4 140.5 44.5 17.3 -11.3 157 159 A H - 0 0 33 -15,-0.4 -105,-2.5 -105,-0.4 2,-0.3 -0.350 34.9-147.0 -66.4 164.4 47.0 18.7 -8.9 158 160 A K E - E 0 51B 77 -107,-0.3 -140,-2.4 -2,-0.1 2,-0.7 -0.974 18.5-121.9-136.6 152.5 50.3 16.9 -8.8 159 161 A I E -CE 17 50B 0 -109,-3.0 -110,-1.5 -2,-0.3 -109,-1.1 -0.835 24.5-174.1 -84.0 116.5 53.1 15.8 -6.5 160 162 A K E - 0 0 130 -144,-2.7 -111,-0.5 -2,-0.7 2,-0.3 0.944 68.2 -11.5 -72.3 -50.0 56.2 17.3 -8.1 161 163 A S E -C 16 0B 18 -145,-1.4 -145,-3.2 -113,-0.2 2,-0.4 -0.992 56.0-148.0-150.6 156.0 58.6 15.7 -5.6 162 164 A a E -C 15 0B 12 -2,-0.3 2,-0.4 -120,-0.3 -147,-0.2 -0.953 19.2-176.0-121.5 137.0 58.5 13.8 -2.3 163 165 A E E -C 14 0B 70 -149,-2.2 -149,-3.0 -2,-0.4 2,-0.8 -0.998 25.0-129.9-136.9 147.4 61.3 14.0 0.2 164 166 A V E +C 13 0B 31 -2,-0.4 -151,-0.2 -151,-0.2 3,-0.2 -0.843 22.0 178.4 -95.3 111.5 61.9 12.2 3.5 165 167 A L E S+ 0 0 83 -153,-1.5 2,-0.3 -2,-0.8 -152,-0.2 0.806 78.5 14.1 -81.3 -33.7 62.8 14.8 6.2 166 168 A F E -C 12 0B 113 -154,-2.0 -154,-2.2 -156,-0.0 -1,-0.3 -0.914 68.7-158.0-145.2 120.1 63.1 12.2 8.9 167 169 A N > - 0 0 28 -2,-0.3 3,-1.2 -3,-0.2 -156,-0.1 -0.851 2.1-168.3 -99.6 108.4 63.4 8.5 8.3 168 170 A P T 3 S+ 0 0 26 0, 0.0 -1,-0.1 0, 0.0 -157,-0.1 0.508 84.1 62.3 -77.7 -2.0 62.4 6.5 11.4 169 171 A F T 3 0 0 59 -133,-0.0 -158,-0.0 0, 0.0 -2,-0.0 0.585 360.0 360.0 -99.4 -12.2 63.7 3.3 9.9 170 172 A D < 0 0 170 -3,-1.2 0, 0.0 0, 0.0 0, 0.0 -0.385 360.0 360.0 -58.5 360.0 67.3 4.5 9.8