==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DE NOVO PROTEIN 23-JUL-13 4LT9 . COMPND 2 MOLECULE: ENGINEERED PROTEIN OR404; . SOURCE 2 ORGANISM_SCIENTIFIC: ARTIFICIAL GENE; . AUTHOR S.VOROBIEV,M.SU,S.BJELIC,Y.KIPNIS,L.WANG,S.SAHDEV,R.XIAO,S.K . 250 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11392.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 187 74.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 14.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 . 31 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 77 30.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.0 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 0 0 3 2 4 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 3 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 0 PARALLEL 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 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 2 A P 0 0 59 0, 0.0 135,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 163.7 -3.9 43.6 64.3 2 3 A R - 0 0 85 133,-1.3 2,-0.9 1,-0.2 135,-0.1 0.070 360.0 -65.6 -61.0 175.9 -2.2 41.5 67.1 3 4 A Y + 0 0 194 133,-0.1 2,-0.4 2,-0.0 -1,-0.2 -0.537 69.0 159.6 -69.6 103.5 -0.3 42.9 70.0 4 5 A L + 0 0 25 -2,-0.9 2,-0.3 -3,-0.1 131,-0.0 -0.944 12.8 178.5-125.5 149.2 2.8 44.5 68.6 5 6 A K + 0 0 120 -2,-0.4 3,-0.5 4,-0.0 2,-0.2 -0.981 45.1 20.4-147.1 154.7 5.0 47.1 70.2 6 7 A G S > S- 0 0 50 -2,-0.3 4,-1.2 1,-0.2 3,-0.4 -0.543 118.4 -11.0 89.0-155.2 8.1 49.0 69.2 7 8 A W H > S+ 0 0 103 1,-0.2 4,-1.7 -2,-0.2 -1,-0.2 0.827 134.3 51.6 -49.1 -43.4 9.4 49.4 65.6 8 9 A L H > S+ 0 0 27 -3,-0.5 4,-1.6 1,-0.2 -1,-0.2 0.883 104.3 53.1 -68.6 -40.5 6.9 47.0 64.1 9 10 A E H > S+ 0 0 40 -3,-0.4 4,-1.2 2,-0.2 -1,-0.2 0.783 108.2 56.9 -67.0 -21.7 3.7 48.3 65.6 10 11 A D H >X S+ 0 0 41 -4,-1.2 4,-1.5 2,-0.2 3,-0.9 0.986 108.1 40.6 -70.5 -60.2 4.8 51.7 64.1 11 12 A V H 3X S+ 0 0 0 -4,-1.7 4,-1.7 1,-0.3 -2,-0.2 0.772 111.0 64.3 -60.6 -21.8 5.1 50.7 60.5 12 13 A V H 3X S+ 0 0 7 -4,-1.6 4,-1.2 1,-0.2 -1,-0.3 0.875 107.8 37.3 -68.5 -39.7 1.9 48.7 61.1 13 14 A Q H < S+ 0 0 2 -4,-1.7 3,-1.7 1,-0.2 -2,-0.2 0.867 104.6 62.2 -68.6 -38.9 0.3 51.1 56.7 16 17 A L H 3< S+ 0 0 84 -4,-1.2 -1,-0.2 1,-0.3 -2,-0.2 0.845 110.6 38.7 -58.1 -34.6 -3.2 51.5 58.3 17 18 A R T 3< S+ 0 0 192 -4,-1.2 -1,-0.3 -3,-0.2 -2,-0.2 0.239 83.7 132.1 -99.7 13.0 -3.3 55.2 57.2 18 19 A R < - 0 0 16 -3,-1.7 -3,-0.1 1,-0.1 -4,-0.0 -0.547 63.8-117.9 -71.6 115.1 -1.6 54.6 53.9 19 20 A P - 0 0 102 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.220 29.5-116.0 -52.8 130.9 -3.7 56.4 51.3 20 21 A S - 0 0 71 1,-0.1 2,-0.3 -3,-0.0 97,-0.1 -0.242 29.2-129.1 -66.8 161.9 -5.2 54.1 48.7 21 22 A V - 0 0 45 95,-0.3 2,-0.6 2,-0.0 102,-0.1 -0.825 2.2-139.2-117.3 150.8 -4.1 54.5 45.0 22 23 A H + 0 0 182 -2,-0.3 2,-0.3 2,-0.0 98,-0.0 -0.936 51.5 114.3-111.3 114.2 -6.1 54.8 41.8 23 24 A A - 0 0 24 -2,-0.6 2,-0.3 2,-0.0 101,-0.1 -0.950 47.9-133.4-162.6 174.4 -4.6 52.8 38.9 24 25 A S - 0 0 81 -2,-0.3 99,-0.1 100,-0.1 100,-0.1 -0.984 25.1-112.7-146.5 133.2 -5.3 49.8 36.7 25 26 A R - 0 0 35 -2,-0.3 99,-0.1 97,-0.2 100,-0.1 -0.348 12.7-155.9 -66.8 140.8 -3.1 46.9 35.6 26 27 A Q S S+ 0 0 173 98,-0.1 -1,-0.1 2,-0.1 98,-0.0 0.192 80.8 32.0-101.3 14.3 -2.0 46.6 32.0 27 28 A R S S- 0 0 41 3,-0.0 3,-0.1 0, 0.0 -1,-0.0 -0.952 88.3-109.6-159.1 152.8 -1.5 42.8 32.1 28 29 A P - 0 0 99 0, 0.0 2,-0.2 0, 0.0 -2,-0.1 -0.066 50.5 -64.4 -80.4-168.4 -3.4 40.2 34.0 29 30 A I - 0 0 46 122,-0.1 2,-0.6 -4,-0.1 98,-0.1 -0.534 35.3-161.8 -77.8 139.0 -2.2 38.0 36.9 30 31 A I - 0 0 47 -2,-0.2 76,-0.2 76,-0.1 2,-0.1 -0.950 32.2-123.0-119.9 101.6 0.7 35.6 36.3 31 32 A S > - 0 0 39 -2,-0.6 4,-1.6 1,-0.1 5,-0.1 -0.242 20.2-162.7 -52.9 120.0 0.4 33.2 39.3 32 33 A L H > S+ 0 0 2 95,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.927 89.3 46.8 -69.8 -48.6 3.6 33.0 41.5 33 34 A N H > S+ 0 0 20 121,-0.3 4,-1.6 1,-0.2 3,-0.2 0.932 115.3 47.5 -61.4 -43.9 2.7 29.7 43.3 34 35 A E H > S+ 0 0 111 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.864 108.7 53.4 -66.9 -34.0 1.7 28.0 40.1 35 36 A R H X S+ 0 0 54 -4,-1.6 4,-1.3 1,-0.2 -1,-0.2 0.805 106.4 54.8 -70.6 -26.6 4.8 29.2 38.2 36 37 A I H X S+ 0 0 0 -4,-1.5 4,-1.6 -3,-0.2 -1,-0.2 0.905 105.0 51.4 -70.2 -43.6 7.0 27.7 41.0 37 38 A L H X S+ 0 0 44 -4,-1.6 4,-2.3 1,-0.2 -1,-0.2 0.798 110.8 48.8 -64.2 -30.7 5.4 24.3 40.6 38 39 A E H X S+ 0 0 111 -4,-1.2 4,-1.5 2,-0.2 -1,-0.2 0.802 108.2 52.9 -78.8 -30.3 6.1 24.4 36.9 39 40 A F H <>S+ 0 0 15 -4,-1.3 5,-4.1 2,-0.2 -2,-0.2 0.814 111.2 50.3 -69.9 -29.6 9.6 25.4 37.7 40 41 A N H ><5S+ 0 0 21 -4,-1.6 3,-1.7 3,-0.2 -2,-0.2 0.917 105.1 53.0 -72.6 -47.5 9.5 22.3 39.9 41 42 A K H 3<5S+ 0 0 173 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.856 115.9 41.6 -57.3 -34.5 8.2 20.0 37.2 42 43 A S T 3<5S- 0 0 82 -4,-1.5 -1,-0.3 2,-0.1 -2,-0.2 0.344 113.6-122.3 -93.7 3.6 11.1 21.1 35.0 43 44 A N T < 5 + 0 0 107 -3,-1.7 2,-0.5 1,-0.2 -3,-0.2 0.841 57.4 154.2 56.5 37.8 13.5 21.0 37.9 44 45 A I < - 0 0 57 -5,-4.1 2,-0.4 -8,-0.1 -1,-0.2 -0.823 54.4-111.0 -92.6 131.6 14.4 24.6 37.5 45 46 A T - 0 0 7 205,-2.1 2,-0.9 -2,-0.5 187,-0.1 -0.532 32.0-135.5 -66.7 120.6 15.6 26.1 40.8 46 47 A A E +a 232 0A 1 185,-0.5 187,-2.7 -2,-0.4 2,-0.6 -0.689 28.5 179.8 -84.6 103.3 12.8 28.5 41.8 47 48 A I E -a 233 0A 4 -2,-0.9 30,-1.8 28,-0.3 31,-1.1 -0.901 18.4-159.1-110.3 116.1 14.3 31.7 43.0 48 49 A I E -ab 234 78A 1 185,-2.8 187,-2.3 -2,-0.6 2,-0.6 -0.830 23.4-137.9 -89.8 114.0 12.2 34.6 44.2 49 50 A A E -ab 235 79A 0 29,-2.3 31,-3.4 -2,-0.8 2,-0.7 -0.638 12.4-146.3 -77.0 119.1 14.5 37.7 44.0 50 51 A Y E -ab 236 80A 4 185,-3.2 187,-2.5 -2,-0.6 2,-0.5 -0.762 20.5-175.0 -91.1 114.7 14.1 39.9 47.0 51 52 A Y E + b 0 81A 2 29,-3.3 31,-2.5 -2,-0.7 2,-0.3 -0.934 14.8 159.7-120.4 127.3 14.5 43.6 46.2 52 53 A T - 0 0 11 -2,-0.5 37,-0.1 29,-0.2 3,-0.1 -0.990 33.6-142.8-137.5 142.6 14.6 46.6 48.5 53 54 A R S S- 0 0 71 35,-0.7 2,-0.3 -2,-0.3 36,-0.2 0.898 87.2 -5.5 -70.7 -42.8 16.1 50.0 47.8 54 55 A K - 0 0 56 34,-1.7 -1,-0.2 7,-0.1 5,-0.1 -0.930 68.6-153.1-145.5 163.9 17.3 50.5 51.4 55 56 A S - 0 0 9 3,-0.6 5,-0.1 -2,-0.3 33,-0.1 -0.991 18.9-138.5-140.6 151.9 17.0 48.6 54.6 56 57 A P S S+ 0 0 59 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.921 105.4 47.4 -74.9 -44.1 17.1 49.4 58.3 57 58 A S S S+ 0 0 94 1,-0.3 2,-0.6 2,-0.0 -2,-0.0 0.971 126.8 27.0 -62.1 -54.3 19.2 46.4 59.3 58 59 A G S S- 0 0 33 2,-0.1 2,-1.4 0, 0.0 -3,-0.6 -0.919 79.3-152.5-114.4 106.5 21.7 46.9 56.6 59 60 A L + 0 0 156 -2,-0.6 2,-0.3 -3,-0.3 -5,-0.1 -0.624 43.4 133.3 -80.6 91.7 21.9 50.6 55.5 60 61 A D - 0 0 74 -2,-1.4 -5,-0.1 -5,-0.1 -2,-0.1 -1.000 51.7-122.8-143.9 139.9 23.0 50.3 51.9 61 62 A V - 0 0 105 -2,-0.3 2,-0.2 -7,-0.1 -7,-0.1 -0.283 29.0-146.3 -73.7 164.6 21.9 51.9 48.6 62 63 A E - 0 0 38 -9,-0.2 2,-0.2 1,-0.0 -9,-0.1 -0.644 14.0-102.4-124.1-179.3 20.8 49.8 45.7 63 64 A R - 0 0 83 -2,-0.2 5,-0.1 1,-0.2 -1,-0.0 -0.564 65.9 -51.3 -99.4 174.5 21.0 49.9 41.9 64 65 A D > - 0 0 71 -2,-0.2 4,-2.9 1,-0.1 5,-0.2 -0.125 45.3-149.4 -53.1 122.5 18.1 50.8 39.5 65 66 A P H > S+ 0 0 14 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.918 96.9 46.8 -57.3 -46.9 14.9 48.8 40.4 66 67 A I H > S+ 0 0 48 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.938 114.1 47.8 -62.5 -45.8 13.6 48.8 36.8 67 68 A E H > S+ 0 0 103 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.916 112.6 50.1 -61.2 -41.6 17.1 47.8 35.4 68 69 A Y H X S+ 0 0 6 -4,-2.9 4,-2.7 1,-0.2 5,-0.2 0.922 110.5 48.5 -64.9 -42.8 17.3 45.1 38.0 69 70 A A H X S+ 0 0 2 -4,-2.6 4,-1.4 2,-0.2 -1,-0.2 0.895 108.1 53.1 -64.5 -42.2 13.9 43.6 37.3 70 71 A K H < S+ 0 0 108 -4,-2.3 4,-0.4 -5,-0.2 -1,-0.2 0.927 113.2 47.9 -58.0 -41.9 14.5 43.5 33.5 71 72 A F H >< S+ 0 0 54 -4,-1.8 3,-1.4 -5,-0.2 4,-0.3 0.983 111.3 45.2 -62.5 -61.7 17.7 41.6 34.4 72 73 A X H >X S+ 0 0 1 -4,-2.7 4,-2.0 1,-0.3 3,-1.7 0.663 91.8 87.7 -59.6 -16.0 16.2 39.0 36.8 73 74 A E T 3< S+ 0 0 63 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.788 85.6 50.9 -54.5 -33.7 13.3 38.4 34.4 74 75 A R T <4 S+ 0 0 212 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.618 125.7 25.0 -80.6 -12.4 15.2 35.7 32.5 75 76 A Y T <4 S+ 0 0 34 -3,-1.7 -28,-0.3 -4,-0.3 -2,-0.2 0.805 97.4 79.8-115.8 -61.8 16.1 33.9 35.7 76 77 A A < - 0 0 0 -4,-2.0 -28,-0.2 1,-0.1 3,-0.1 -0.052 63.0-139.0 -55.9 153.8 13.9 34.3 38.8 77 78 A V S S- 0 0 0 -30,-1.8 2,-0.3 1,-0.3 -29,-0.2 0.716 87.5 -21.3 -82.4 -22.1 10.6 32.5 39.3 78 79 A G E -b 48 0A 0 -31,-1.1 -29,-2.3 26,-0.1 2,-0.4 -0.975 64.6-113.0-174.5 166.8 9.4 35.8 40.6 79 80 A L E -bc 49 106A 1 26,-2.6 28,-3.8 -2,-0.3 2,-0.6 -0.932 13.8-153.4-117.4 136.5 10.3 39.2 42.1 80 81 A S E -bc 50 107A 0 -31,-3.4 -29,-3.3 -2,-0.4 2,-0.5 -0.950 16.6-165.7-109.6 119.0 9.6 40.4 45.6 81 82 A I E -bc 51 108A 2 26,-2.7 28,-2.8 -2,-0.6 2,-0.8 -0.915 15.9-136.7-108.2 121.3 9.5 44.2 45.6 82 83 A K E + c 0 109A 9 -31,-2.5 -29,-0.3 -2,-0.5 9,-0.3 -0.653 26.4 172.5 -81.1 110.4 9.6 46.1 49.0 83 84 A T + 0 0 0 26,-1.8 27,-0.2 -2,-0.8 -1,-0.2 0.535 35.4 119.3 -95.6 -8.3 7.0 48.9 48.8 84 85 A E - 0 0 5 25,-0.7 6,-3.2 1,-0.1 4,-0.1 -0.372 49.5-157.7 -59.7 134.9 7.2 50.1 52.4 85 86 A E S > S+ 0 0 106 4,-0.3 4,-0.7 3,-0.2 -1,-0.1 0.890 71.5 48.1 -84.9 -47.3 8.2 53.8 52.3 86 87 A K T 4 S+ 0 0 110 2,-0.1 -1,-0.0 1,-0.1 -2,-0.0 0.992 125.2 15.7 -61.9 -69.8 9.8 54.8 55.6 87 88 A Y T 4 S+ 0 0 50 1,-0.2 -1,-0.1 2,-0.0 -2,-0.1 0.762 134.8 37.7 -81.1 -29.1 12.3 52.2 56.5 88 89 A F T 4 S- 0 0 6 -33,-0.1 -34,-1.7 -4,-0.1 -35,-0.7 0.506 93.9-131.4-105.3 -4.1 12.7 50.4 53.2 89 90 A N < + 0 0 80 -4,-0.7 -4,-0.3 -36,-0.2 -3,-0.1 0.756 57.2 138.3 62.3 27.4 12.5 53.3 50.7 90 91 A G - 0 0 7 -6,-3.2 2,-0.3 -36,-0.1 -7,-0.2 -0.252 30.2-169.6 -90.8-174.9 10.0 51.7 48.5 91 92 A S > - 0 0 35 -9,-0.3 4,-1.3 1,-0.1 -7,-0.1 -0.970 35.7-113.7-166.2 163.1 6.9 53.2 46.8 92 93 A Y H > S+ 0 0 20 -2,-0.3 4,-2.8 2,-0.2 5,-0.2 0.847 115.5 56.7 -73.5 -34.0 3.8 52.3 44.9 93 94 A E H > S+ 0 0 92 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.905 103.8 54.4 -64.6 -37.8 5.1 54.0 41.7 94 95 A X H > S+ 0 0 15 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.930 111.0 45.2 -60.2 -44.6 8.2 51.8 41.9 95 96 A L H X S+ 0 0 0 -4,-1.3 4,-3.2 2,-0.2 5,-0.2 0.937 111.9 51.2 -63.8 -47.6 6.0 48.7 42.0 96 97 A R H X S+ 0 0 88 -4,-2.8 4,-1.2 1,-0.2 -2,-0.2 0.900 110.5 50.1 -57.0 -42.1 3.8 49.9 39.2 97 98 A K H X S+ 0 0 93 -4,-2.7 4,-1.4 2,-0.2 -1,-0.2 0.867 113.7 44.3 -64.5 -39.4 6.8 50.6 37.0 98 99 A I H X S+ 0 0 2 -4,-1.9 4,-1.0 1,-0.2 3,-0.2 0.932 111.5 52.3 -72.2 -45.4 8.3 47.2 37.6 99 100 A A H < S+ 0 0 5 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.736 110.8 50.6 -62.9 -22.0 5.0 45.4 37.1 100 101 A S H < S+ 0 0 71 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.832 112.4 43.2 -83.9 -35.2 4.6 47.2 33.8 101 102 A S H < S+ 0 0 47 -4,-1.4 2,-0.4 -3,-0.2 -2,-0.2 0.455 109.6 62.3 -90.7 -2.1 8.0 46.4 32.3 102 103 A V < - 0 0 5 -4,-1.0 4,-0.1 2,-0.1 -32,-0.1 -0.973 56.1-158.0-134.6 141.4 8.2 42.8 33.3 103 104 A S + 0 0 79 -2,-0.4 -4,-0.1 2,-0.1 -3,-0.0 -0.123 65.6 90.4-106.3 36.0 6.2 39.6 32.5 104 105 A I S S- 0 0 6 1,-0.0 -26,-0.1 -5,-0.0 23,-0.1 -0.907 91.8 -71.5-124.2 156.9 7.0 37.4 35.5 105 106 A P - 0 0 0 0, 0.0 -26,-2.6 0, 0.0 2,-0.5 -0.172 46.9-156.5 -49.2 127.9 5.2 37.2 38.9 106 107 A I E -c 79 0A 0 19,-0.2 21,-2.3 -28,-0.2 22,-1.3 -0.937 1.9-158.5-112.2 126.5 5.6 40.2 41.1 107 108 A L E -cd 80 128A 2 -28,-3.8 -26,-2.7 -2,-0.5 2,-0.8 -0.906 12.8-139.5-106.1 125.3 5.2 39.9 44.8 108 109 A X E -cd 81 129A 0 20,-2.4 22,-1.8 -2,-0.5 2,-0.8 -0.764 17.9-160.8 -85.3 113.9 4.4 43.1 46.7 109 110 A N E +c 82 0A 6 -28,-2.8 -26,-1.8 -2,-0.8 -25,-0.7 -0.851 41.7 105.2-100.1 108.0 6.4 42.9 49.9 110 111 A D S S- 0 0 1 -2,-0.8 2,-0.8 20,-0.2 20,-0.0 -0.827 79.4 -75.6-159.8-168.4 5.0 45.2 52.6 111 112 A F - 0 0 17 -2,-0.2 2,-0.6 -100,-0.1 20,-0.1 -0.815 45.9-160.4-110.4 89.3 3.0 45.1 55.8 112 113 A I + 0 0 4 -2,-0.8 20,-0.2 18,-0.6 3,-0.1 -0.606 28.9 152.4 -75.4 114.3 -0.6 44.5 54.6 113 114 A V + 0 0 18 -2,-0.6 2,-0.3 1,-0.2 -1,-0.2 0.334 61.4 33.4-124.0 2.6 -3.0 45.4 57.4 114 115 A K S >> S- 0 0 52 1,-0.0 3,-1.1 -99,-0.0 4,-0.8 -0.988 79.5-110.5-155.9 157.1 -6.1 46.4 55.4 115 116 A E H 3> S+ 0 0 88 -2,-0.3 4,-1.8 1,-0.2 5,-0.1 0.729 108.6 67.4 -62.5 -25.0 -8.0 45.4 52.2 116 117 A S H 3> S+ 0 0 23 1,-0.2 4,-3.2 2,-0.2 -95,-0.3 0.815 94.7 56.9 -69.1 -27.0 -7.2 48.6 50.3 117 118 A Q H <> S+ 0 0 0 -3,-1.1 4,-2.9 2,-0.2 -1,-0.2 0.884 107.4 50.0 -67.6 -36.0 -3.5 47.7 50.2 118 119 A I H X S+ 0 0 0 -4,-0.8 4,-2.4 2,-0.2 -2,-0.2 0.871 110.5 47.8 -68.6 -38.6 -4.6 44.5 48.5 119 120 A D H X S+ 0 0 32 -4,-1.8 4,-3.4 2,-0.2 5,-0.3 0.951 111.1 53.1 -64.7 -45.8 -6.6 46.6 46.1 120 121 A D H X S+ 0 0 0 -4,-3.2 4,-2.3 1,-0.2 -2,-0.2 0.929 109.3 48.7 -51.3 -51.0 -3.5 48.8 45.7 121 122 A A H X>S+ 0 0 0 -4,-2.9 5,-2.4 2,-0.2 4,-0.5 0.915 113.9 44.7 -57.6 -49.1 -1.4 45.7 44.9 122 123 A Y H ><5S+ 0 0 69 -4,-2.4 3,-1.1 1,-0.2 -2,-0.2 0.951 115.9 46.7 -62.6 -48.1 -3.9 44.4 42.3 123 124 A N H 3<5S+ 0 0 44 -4,-3.4 -2,-0.2 1,-0.3 -1,-0.2 0.797 109.7 53.3 -66.1 -27.5 -4.4 47.8 40.7 124 125 A L H 3<5S- 0 0 7 -4,-2.3 -1,-0.3 -5,-0.3 -25,-0.2 0.529 122.5-105.3 -84.6 -6.7 -0.6 48.5 40.6 125 126 A G T <<5 + 0 0 4 -3,-1.1 -19,-0.2 -4,-0.5 -3,-0.2 0.505 65.5 151.4 99.7 4.0 -0.1 45.2 38.8 126 127 A A < - 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0 0 38 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.351 37.5-105.8 -75.6 165.1 -4.9 38.2 64.2 138 139 A E H > S+ 0 0 61 1,-0.2 4,-0.6 2,-0.2 -1,-0.1 0.704 124.0 56.6 -65.1 -16.9 -6.2 34.8 62.9 139 140 A R H >> S+ 0 0 178 2,-0.2 4,-1.9 3,-0.1 3,-0.5 0.958 109.1 40.5 -76.2 -55.8 -9.3 36.8 62.1 140 141 A E H 3> S+ 0 0 50 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.807 113.7 54.9 -63.1 -33.5 -7.6 39.4 59.8 141 142 A L H 3X S+ 0 0 0 -4,-2.3 4,-1.2 2,-0.2 -1,-0.2 0.747 108.3 48.0 -73.8 -26.0 -5.4 36.9 58.2 142 143 A E H X S+ 0 0 57 -4,-1.9 4,-3.1 2,-0.2 3,-1.0 0.982 113.6 47.7 -64.2 -60.1 -10.2 37.6 55.7 144 145 A L H 3X S+ 0 0 7 -4,-2.5 4,-2.8 1,-0.3 5,-0.3 0.893 109.0 55.9 -49.8 -43.3 -7.2 39.2 53.9 145 146 A L H 3X S+ 0 0 0 -4,-1.2 4,-1.6 -5,-0.2 -1,-0.3 0.851 111.3 44.1 -59.4 -35.7 -6.4 35.7 52.4 146 147 A E H <>S+ 0 0 0 -4,-2.8 5,-2.8 1,-0.2 3,-0.7 0.900 109.3 55.0 -62.4 -42.3 -6.7 38.4 47.8 149 150 A R H ><5S+ 0 0 45 -4,-1.6 3,-1.1 -5,-0.3 -1,-0.2 0.842 100.3 60.3 -61.3 -31.6 -7.9 35.0 46.4 150 151 A S H 3<5S+ 0 0 92 -4,-2.2 -1,-0.2 -3,-0.3 -2,-0.2 0.853 103.1 51.5 -65.2 -30.1 -11.0 36.8 45.0 151 152 A Y T <<5S- 0 0 60 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.609 127.7-107.1 -78.2 -9.7 -8.6 38.9 42.9 152 153 A G T < 5S+ 0 0 49 -3,-1.1 2,-0.7 -4,-0.5 -3,-0.2 0.546 79.4 136.7 92.9 11.9 -7.1 35.6 41.9 153 154 A X < - 0 0 1 -5,-2.8 -1,-0.2 -6,-0.2 -2,-0.2 -0.828 42.3-160.7 -98.9 110.8 -4.1 36.3 44.1 154 155 A E - 0 0 17 -2,-0.7 -121,-0.3 -27,-0.3 -122,-0.1 -0.762 25.3-143.3 -88.7 103.5 -2.8 33.4 46.2 155 156 A P - 0 0 0 0, 0.0 2,-0.6 0, 0.0 20,-0.3 -0.279 7.9-121.7 -69.8 154.0 -0.7 35.2 48.8 156 157 A L E -e 130 0A 2 -27,-1.8 -25,-2.4 18,-0.1 2,-0.6 -0.853 28.3-144.7 -92.4 123.0 2.6 34.0 50.3 157 158 A I E -ef 131 176A 0 18,-2.7 20,-2.9 -2,-0.6 2,-0.5 -0.825 5.2-143.4 -98.0 118.9 2.1 33.7 54.1 158 159 A L E +ef 132 177A 13 -27,-2.5 -25,-1.2 -2,-0.6 -24,-0.5 -0.651 21.9 179.5 -82.0 123.0 5.2 34.5 56.2 159 160 A I E + f 0 178A 0 18,-2.7 20,-1.9 -2,-0.5 3,-0.1 -0.964 17.5 179.7-123.5 141.8 5.6 32.3 59.3 160 161 A N + 0 0 33 -2,-0.4 2,-0.3 18,-0.2 -1,-0.1 0.410 67.9 11.6-118.1 -3.6 8.4 32.6 61.8 161 162 A D S > S- 0 0 65 38,-0.1 4,-2.0 30,-0.1 -1,-0.2 -0.959 86.3 -85.4-161.2 176.2 7.4 29.9 64.3 162 163 A E H > S+ 0 0 89 -2,-0.3 4,-1.4 1,-0.2 5,-0.1 0.795 122.1 58.1 -61.2 -28.9 5.2 26.9 65.0 163 164 A N H >> S+ 0 0 99 2,-0.2 4,-2.1 1,-0.2 3,-0.6 0.969 106.7 44.5 -66.2 -54.6 2.5 29.3 66.2 164 165 A D H 3> S+ 0 0 7 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.882 112.7 54.0 -55.7 -41.9 2.3 31.3 63.0 165 166 A L H 3X S+ 0 0 7 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.802 105.9 51.1 -65.6 -31.5 2.3 28.0 61.0 166 167 A D H S+ 0 0 0 -4,-2.7 5,-2.1 1,-0.2 3,-0.3 0.940 113.1 47.9 -63.3 -51.0 -1.8 29.8 58.7 169 170 A L H ><5S+ 0 0 49 -4,-2.3 3,-0.8 1,-0.2 -1,-0.2 0.801 109.1 53.3 -63.3 -31.7 -2.4 26.1 58.0 170 171 A R H 3<5S+ 0 0 124 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.828 105.7 53.2 -76.4 -27.2 -5.8 26.0 59.7 171 172 A I T 3<5S- 0 0 13 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.402 125.2-102.7 -86.1 6.5 -7.1 29.0 57.7 172 173 A G T < 5 - 0 0 31 -3,-0.8 -3,-0.2 -4,-0.2 -2,-0.1 0.665 50.8-178.8 86.9 19.1 -6.1 27.0 54.5 173 174 A A < - 0 0 6 -5,-2.1 -1,-0.2 1,-0.1 3,-0.1 -0.179 10.2-178.0 -50.8 140.3 -2.9 28.7 53.4 174 175 A R + 0 0 148 -19,-0.3 34,-2.3 1,-0.3 2,-0.4 0.407 69.5 47.9-120.3 -2.6 -1.6 27.2 50.2 175 176 A F E S+ g 0 208A 0 -20,-0.3 -18,-2.7 32,-0.2 2,-0.3 -0.959 71.1 176.6-143.9 115.9 1.7 29.3 49.8 176 177 A I E -fg 157 209A 0 32,-3.0 34,-3.7 -2,-0.4 2,-0.5 -0.954 21.6-152.2-132.6 146.7 4.0 29.7 52.7 177 178 A S E -fg 158 210A 1 -20,-2.9 -18,-2.7 -2,-0.3 2,-0.7 -0.948 9.7-151.7-117.7 119.1 7.4 31.3 53.5 178 179 A I E S-fg 159 211A 0 32,-3.7 34,-2.3 -2,-0.5 -18,-0.2 -0.812 71.3 -26.8 -89.6 118.2 9.5 30.0 56.3 179 180 A F S S- 0 0 3 -20,-1.9 2,-0.2 -2,-0.7 -20,-0.1 0.321 72.7-111.0 61.7 173.0 11.5 33.1 57.4 180 181 A S - 0 0 28 2,-0.6 32,-0.0 32,-0.1 54,-0.0 -0.755 37.5 -86.0-129.3 176.7 12.4 36.2 55.4 181 182 A V S S+ 0 0 30 -2,-0.2 2,-0.2 2,-0.1 55,-0.1 0.920 113.6 55.0 -52.3 -51.8 15.7 37.7 54.1 182 183 A D S S- 0 0 54 1,-0.1 2,-1.0 -3,-0.0 -2,-0.6 -0.550 94.6-116.2 -84.1 154.6 16.5 39.5 57.3 183 184 A K - 0 0 138 -2,-0.2 8,-0.2 1,-0.2 -1,-0.1 -0.375 47.0-104.3 -93.4 58.0 16.6 37.5 60.6 184 185 A S 0 0 60 -2,-1.0 -1,-0.2 1,-0.2 4,-0.1 -0.032 360.0 360.0 57.9-161.2 13.8 38.9 62.7 185 186 A K 0 0 154 2,-0.6 3,-0.2 -3,-0.1 -1,-0.2 0.310 360.0 360.0 -78.3 360.0 14.2 41.2 65.7 186 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 187 195 A S 0 0 99 0, 0.0 -2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 85.4 13.3 36.7 69.6 188 196 A S > + 0 0 31 -3,-0.2 3,-1.7 -4,-0.1 0, 0.0 0.584 360.0 65.1-136.0 -31.8 16.0 36.2 66.9 189 197 A Y T 3 S+ 0 0 206 1,-0.3 3,-0.1 3,-0.0 -5,-0.1 0.640 91.8 72.4 -70.7 -15.4 18.0 33.1 67.8 190 198 A S T 3 S+ 0 0 53 1,-0.2 2,-0.9 5,-0.0 -1,-0.3 0.681 86.8 74.2 -68.1 -17.2 14.7 31.5 67.2 191 199 A I S < S+ 0 0 14 -3,-1.7 2,-0.3 -8,-0.2 -1,-0.2 -0.696 71.8 117.7-104.4 84.5 15.5 32.2 63.6 192 200 A N S > S- 0 0 37 -2,-0.9 4,-1.9 -3,-0.1 3,-0.2 -0.847 76.0 -93.7-141.0 173.5 18.1 29.8 62.5 193 201 A K H > S+ 0 0 33 -2,-0.3 4,-1.3 1,-0.2 5,-0.2 0.845 119.9 53.1 -60.2 -35.7 18.9 27.0 60.0 194 202 A E H > S+ 0 0 135 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.897 109.6 46.1 -69.5 -40.7 17.9 24.3 62.5 195 203 A N H > S+ 0 0 47 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.838 106.3 62.8 -69.3 -32.3 14.4 25.7 63.3 196 204 A Q H X S+ 0 0 0 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.888 104.5 43.7 -60.5 -42.5 13.8 26.3 59.6 197 205 A R H X S+ 0 0 60 -4,-1.3 4,-2.2 2,-0.2 -1,-0.2 0.833 111.9 56.7 -71.1 -32.8 14.0 22.5 58.7 198 206 A K H X S+ 0 0 65 -4,-1.2 4,-0.6 1,-0.2 3,-0.2 0.983 109.9 42.9 -59.3 -58.0 11.8 21.9 61.8 199 207 A L H >< S+ 0 0 0 -4,-2.8 3,-0.6 1,-0.2 -2,-0.2 0.831 111.7 56.4 -58.0 -35.6 9.1 24.2 60.5 200 208 A I H >< S+ 0 0 2 -4,-1.8 3,-1.9 1,-0.2 -1,-0.2 0.920 101.3 54.0 -65.6 -44.7 9.4 22.8 57.0 201 209 A S H 3< S+ 0 0 98 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.633 102.3 61.3 -66.5 -12.7 8.8 19.2 58.0 202 210 A X T << S+ 0 0 91 -4,-0.6 -1,-0.3 -3,-0.6 -2,-0.2 0.364 86.5 94.1 -93.5 3.7 5.5 20.3 59.7 203 211 A I S < S- 0 0 13 -3,-1.9 6,-0.1 -4,-0.1 -38,-0.0 -0.850 83.9-109.6-102.9 129.8 4.1 21.6 56.4 204 212 A P > - 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