==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DE NOVO PROTEIN 30-MAR-12 2LRH . COMPND 2 MOLECULE: DE NOVO DESIGNED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ARTIFICIAL GENE; . AUTHOR G.LIU,N.KOGA,R.KOGA,R.XIAO,H.LEE,H.JANJUA,E.KOHAN,T.B.ACTON, . 134 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8195.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 107 79.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 17.2 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 . 0 0.0 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 . 16 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 58 43.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 2.2 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 0 0 0 0 0 0 0 0 0 1 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 1 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 . 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 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 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 0 135 0, 0.0 2,-0.3 0, 0.0 75,-0.1 0.000 360.0 360.0 360.0 144.2 -14.7 8.1 4.6 2 2 A K - 0 0 3 73,-0.2 75,-1.4 48,-0.1 2,-0.3 -0.997 360.0-148.4-140.5 136.8 -12.5 5.5 3.0 3 3 A E E -a 77 0A 12 -2,-0.3 51,-1.0 73,-0.2 2,-0.4 -0.828 3.9-157.4-110.1 145.3 -8.8 4.7 3.7 4 4 A L E -ab 78 54A 0 73,-2.9 75,-1.4 -2,-0.3 2,-0.5 -0.979 6.6-172.8-126.8 115.0 -6.2 3.4 1.2 5 5 A I E -ab 79 55A 0 49,-1.4 51,-2.3 -2,-0.4 2,-0.5 -0.952 9.9-156.3-110.4 123.3 -3.0 1.5 2.4 6 6 A L E -ab 80 56A 0 73,-2.4 75,-2.4 -2,-0.5 2,-0.4 -0.898 5.6-161.6-103.4 120.2 -0.4 0.7 -0.3 7 7 A I E -ab 81 57A 2 49,-2.5 51,-2.2 -2,-0.5 2,-0.5 -0.870 2.0-161.1-100.6 135.0 2.0 -2.2 0.4 8 8 A N E +ab 82 58A 3 73,-1.8 75,-2.5 -2,-0.4 2,-0.3 -0.977 30.6 140.1-116.1 109.0 5.3 -2.6 -1.5 9 9 A T - 0 0 0 49,-1.7 75,-0.2 -2,-0.5 51,-0.1 -0.957 37.7-168.0-147.7 137.3 6.8 -6.1 -1.5 10 10 A N + 0 0 84 73,-0.4 2,-1.1 -2,-0.3 74,-0.1 0.450 65.6 107.3 -92.4 -7.3 8.6 -8.2 -4.1 11 11 A N > - 0 0 50 72,-0.2 4,-2.0 1,-0.2 3,-0.4 -0.665 55.2-165.6 -80.2 97.2 8.3 -11.3 -1.7 12 12 A D H > S+ 0 0 99 -2,-1.1 4,-1.5 1,-0.2 -1,-0.2 0.845 87.4 53.0 -44.5 -48.6 5.5 -13.4 -3.4 13 13 A E H > S+ 0 0 139 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.859 108.9 49.0 -65.3 -36.0 5.0 -15.5 -0.3 14 14 A L H > S+ 0 0 0 -3,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.899 103.2 61.4 -68.0 -42.2 4.5 -12.4 1.9 15 15 A I H X S+ 0 0 21 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.897 108.2 43.7 -51.6 -45.4 1.9 -11.0 -0.6 16 16 A K H X S+ 0 0 105 -4,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.851 111.2 54.1 -68.0 -38.2 -0.3 -14.1 0.0 17 17 A K H X S+ 0 0 96 -4,-1.4 4,-1.8 2,-0.2 -2,-0.2 0.869 108.9 49.7 -63.4 -38.0 0.3 -13.9 3.9 18 18 A I H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.957 106.8 54.6 -63.8 -49.8 -0.9 -10.3 3.8 19 19 A K H X S+ 0 0 65 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.857 106.9 51.9 -52.8 -42.7 -4.0 -11.3 1.8 20 20 A K H X S+ 0 0 141 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.941 111.5 46.4 -57.6 -51.1 -4.9 -13.8 4.5 21 21 A E H X S+ 0 0 47 -4,-1.8 4,-1.6 1,-0.2 -2,-0.2 0.893 112.0 50.8 -56.9 -43.6 -4.5 -11.1 7.2 22 22 A V H X>S+ 0 0 0 -4,-2.6 5,-1.7 1,-0.2 4,-1.5 0.822 110.1 49.2 -69.5 -33.4 -6.7 -8.6 5.2 23 23 A E H <5S+ 0 0 124 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.793 108.7 54.6 -73.0 -30.1 -9.4 -11.3 4.7 24 24 A N H <5S+ 0 0 108 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.835 114.0 40.6 -69.0 -35.2 -9.2 -11.9 8.6 25 25 A Q H <5S- 0 0 67 -4,-1.6 -2,-0.2 -5,-0.1 -1,-0.2 0.725 114.0-119.4 -85.7 -26.6 -9.9 -8.2 9.1 26 26 A G T <5 + 0 0 34 -4,-1.5 -3,-0.2 1,-0.3 26,-0.1 0.486 62.3 143.6 98.2 8.7 -12.5 -7.9 6.3 27 27 A Y < - 0 0 10 -5,-1.7 2,-0.6 -6,-0.2 -1,-0.3 -0.317 56.9-101.8 -76.6 162.5 -10.6 -5.4 4.2 28 28 A Q E -c 54 0A 67 25,-1.3 27,-2.6 -2,-0.1 2,-0.4 -0.783 30.2-148.8 -94.5 112.8 -10.7 -5.5 0.3 29 29 A V E +c 55 0A 35 -2,-0.6 2,-0.4 25,-0.2 27,-0.2 -0.700 21.6 171.6 -79.7 124.4 -7.6 -7.0 -1.4 30 30 A R E -c 56 0A 55 25,-1.9 27,-1.9 -2,-0.4 2,-0.4 -0.988 19.8-147.1-131.7 128.6 -6.7 -5.5 -4.8 31 31 A D E -c 57 0A 64 -2,-0.4 2,-0.4 25,-0.2 27,-0.2 -0.765 10.8-171.1 -92.9 135.9 -3.4 -6.4 -6.7 32 32 A V + 0 0 1 25,-2.5 27,-0.5 -2,-0.4 28,-0.3 -0.987 27.4 143.9-126.8 119.2 -1.7 -3.8 -8.9 33 33 A N + 0 0 90 -2,-0.4 2,-0.3 25,-0.2 -1,-0.1 0.097 64.8 60.5-135.7 15.8 1.3 -5.1 -11.0 34 34 A D S > S- 0 0 80 26,-0.1 4,-1.1 1,-0.1 -1,-0.1 -0.989 77.6-127.3-152.4 146.0 0.6 -3.0 -14.2 35 35 A S H > S+ 0 0 63 -2,-0.3 4,-0.7 1,-0.2 -1,-0.1 0.738 110.3 48.7 -71.9 -26.2 0.4 0.8 -14.9 36 36 A D H > S+ 0 0 82 2,-0.2 4,-1.1 1,-0.1 -1,-0.2 0.793 103.8 61.1 -83.3 -31.1 -3.1 0.6 -16.6 37 37 A E H > S+ 0 0 67 1,-0.2 4,-2.2 2,-0.2 3,-0.2 0.870 99.5 55.2 -63.2 -38.3 -4.6 -1.5 -13.7 38 38 A L H X S+ 0 0 0 -4,-1.1 4,-2.3 1,-0.2 -1,-0.2 0.884 105.7 50.0 -65.8 -39.7 -4.0 1.2 -11.0 39 39 A K H X S+ 0 0 88 -4,-0.7 4,-0.7 2,-0.2 -1,-0.2 0.740 110.4 52.0 -75.2 -24.3 -5.9 4.0 -13.0 40 40 A K H >X S+ 0 0 89 -4,-1.1 4,-1.7 -3,-0.2 3,-0.8 0.954 110.5 48.4 -65.8 -52.8 -8.9 1.5 -13.3 41 41 A E H 3X S+ 0 0 33 -4,-2.2 4,-2.3 1,-0.2 5,-0.2 0.872 103.4 60.0 -57.9 -44.0 -8.8 0.9 -9.5 42 42 A M H 3X S+ 0 0 10 -4,-2.3 4,-1.2 1,-0.2 -1,-0.2 0.821 108.6 45.4 -55.1 -35.4 -8.7 4.6 -8.6 43 43 A K H - 0 0 66 -28,-0.3 4,-1.4 1,-0.1 3,-0.2 -0.880 61.6-155.4-113.6 132.8 6.7 -1.5 -8.4 61 61 A K H > S+ 0 0 41 -2,-0.4 4,-2.6 1,-0.2 5,-0.2 0.779 91.8 62.9 -75.1 -33.3 7.4 2.0 -7.0 62 62 A Q H > S+ 0 0 108 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.837 105.9 48.0 -64.5 -33.7 6.4 4.0 -10.1 63 63 A L H >> S+ 0 0 11 -3,-0.2 4,-1.9 2,-0.2 3,-0.7 0.970 113.1 46.2 -66.0 -56.5 2.8 2.7 -9.8 64 64 A L H 3X S+ 0 0 0 -4,-1.4 4,-2.4 1,-0.2 -2,-0.2 0.862 106.9 58.4 -53.9 -44.3 2.6 3.5 -6.0 65 65 A K H 3X S+ 0 0 87 -4,-2.6 4,-0.8 1,-0.2 -1,-0.2 0.810 107.4 48.0 -62.8 -35.4 4.0 7.0 -6.5 66 66 A E H XX S+ 0 0 78 -4,-1.0 4,-2.2 -3,-0.7 3,-1.0 0.964 111.9 48.9 -61.8 -55.0 1.1 7.8 -9.0 67 67 A M H 3X S+ 0 0 0 -4,-1.9 4,-2.7 1,-0.3 5,-0.4 0.793 101.6 62.5 -63.3 -33.1 -1.5 6.4 -6.5 68 68 A L H 3< S+ 0 0 0 -4,-2.4 4,-0.5 1,-0.2 -1,-0.3 0.873 115.2 35.0 -55.8 -38.0 -0.2 8.5 -3.5 69 69 A E H X S+ 0 0 53 -4,-2.2 4,-2.1 2,-0.2 3,-0.7 0.937 112.1 44.4 -67.1 -51.1 -4.3 10.2 -7.2 71 71 A I H 3X>S+ 0 0 0 -4,-2.7 5,-1.6 1,-0.2 4,-1.3 0.800 108.9 59.6 -62.1 -31.4 -5.9 9.0 -3.9 72 72 A S H 345S+ 0 0 64 -4,-0.5 -1,-0.2 -5,-0.4 -2,-0.2 0.774 109.3 43.1 -68.3 -29.3 -4.8 12.4 -2.5 73 73 A K H <<5S+ 0 0 146 -4,-0.9 -2,-0.2 -3,-0.7 -1,-0.2 0.830 108.8 57.7 -78.0 -40.4 -7.0 14.0 -5.3 74 74 A L H <5S- 0 0 62 -4,-2.1 -2,-0.2 -5,-0.1 -3,-0.2 0.731 116.2-118.3 -63.6 -26.3 -9.8 11.5 -4.7 75 75 A G T <5 + 0 0 51 -4,-1.3 2,-0.3 1,-0.2 -73,-0.2 0.926 65.1 128.6 87.6 53.0 -9.9 12.7 -1.0 76 76 A Y < - 0 0 42 -5,-1.6 2,-0.6 -75,-0.1 -1,-0.2 -0.798 67.9 -83.5-127.2 168.6 -9.0 9.6 1.0 77 77 A K E -a 3 0A 40 -75,-1.4 -73,-2.9 -2,-0.3 2,-0.4 -0.683 45.5-152.7 -73.3 115.9 -6.6 8.6 3.8 78 78 A V E +a 4 0A 24 -2,-0.6 25,-0.3 -75,-0.2 2,-0.3 -0.766 19.9 171.4 -89.8 137.8 -3.3 7.8 2.1 79 79 A F E -a 5 0A 22 -75,-1.4 -73,-2.4 -2,-0.4 2,-0.4 -0.978 12.4-163.3-143.6 141.4 -0.9 5.3 3.8 80 80 A L E +ad 6 104A 0 23,-2.2 25,-1.7 -2,-0.3 2,-0.3 -0.983 9.4 175.7-129.4 139.5 2.3 3.7 2.5 81 81 A L E -ad 7 105A 1 -75,-2.4 -73,-1.8 -2,-0.4 2,-0.3 -0.980 10.9-178.2-142.2 126.6 4.1 0.6 3.9 82 82 A L E +ad 8 106A 1 23,-2.0 25,-1.7 -2,-0.3 2,-0.3 -0.979 11.6 163.9-137.3 145.1 7.2 -0.9 2.1 83 83 A Q E + d 0 107A 8 -75,-2.5 -73,-0.4 -2,-0.3 2,-0.3 -0.956 11.6 151.2-156.2 142.1 9.5 -3.9 2.6 84 84 A D - 0 0 16 23,-0.6 6,-0.1 -2,-0.3 -2,-0.0 -0.966 56.7-101.2-165.1 167.3 12.1 -5.6 0.3 85 85 A Q S S+ 0 0 125 -2,-0.3 2,-0.8 1,-0.2 -1,-0.0 0.751 110.0 70.8 -66.0 -29.5 15.3 -7.6 0.2 86 86 A D > + 0 0 92 1,-0.2 4,-1.1 2,-0.1 -1,-0.2 -0.835 59.1 179.8 -95.4 99.0 17.1 -4.3 -0.9 87 87 A E H > S+ 0 0 53 -2,-0.8 4,-2.2 1,-0.2 5,-0.2 0.847 83.9 59.1 -63.7 -36.7 17.1 -2.0 2.2 88 88 A N H > S+ 0 0 115 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.856 105.3 49.1 -59.8 -39.1 18.9 0.7 0.1 89 89 A E H > S+ 0 0 86 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.783 109.9 52.2 -72.9 -30.4 16.0 0.7 -2.4 90 90 A L H X S+ 0 0 1 -4,-1.1 4,-2.5 2,-0.2 -2,-0.2 0.949 111.6 43.7 -68.3 -52.0 13.5 1.1 0.5 91 91 A E H X S+ 0 0 99 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.828 110.9 53.7 -67.3 -36.8 15.1 4.1 2.2 92 92 A E H X S+ 0 0 82 -4,-1.6 4,-0.5 -5,-0.2 -1,-0.2 0.827 115.1 40.9 -71.4 -34.4 15.8 6.1 -1.1 93 93 A F H >X S+ 0 0 13 -4,-1.0 4,-1.5 2,-0.1 3,-0.7 0.929 114.8 52.5 -71.6 -48.3 12.1 5.8 -2.2 94 94 A K H 3X S+ 0 0 37 -4,-2.5 4,-2.2 1,-0.2 5,-0.2 0.869 102.8 56.0 -58.8 -46.1 10.8 6.5 1.4 95 95 A R H 3X S+ 0 0 171 -4,-2.3 4,-1.1 1,-0.2 -1,-0.2 0.797 108.3 50.0 -59.6 -31.2 12.8 9.8 1.9 96 96 A K H S+ 0 0 0 -4,-1.5 5,-2.1 2,-0.2 4,-0.6 0.809 109.2 51.6 -69.7 -33.7 7.7 10.2 -0.0 98 98 A E H <5S+ 0 0 102 -4,-2.2 -1,-0.2 3,-0.2 -2,-0.2 0.806 106.9 53.8 -67.9 -32.8 8.5 12.0 3.4 99 99 A S H <5S+ 0 0 102 -4,-1.1 -2,-0.2 1,-0.2 -1,-0.2 0.696 106.7 51.3 -72.4 -23.6 9.5 15.1 1.2 100 100 A Q H <5S- 0 0 72 -4,-0.8 -2,-0.2 2,-0.1 -1,-0.2 0.632 121.2-118.6 -80.3 -20.5 6.0 14.7 -0.3 101 101 A G T <5 + 0 0 65 -4,-0.6 2,-0.3 1,-0.3 -3,-0.2 0.830 62.2 143.6 86.6 38.6 4.7 14.7 3.3 102 102 A Y < - 0 0 41 -5,-2.1 2,-0.9 -23,-0.0 -1,-0.3 -0.845 60.0-107.9-110.9 145.8 3.1 11.2 3.4 103 103 A E + 0 0 97 -2,-0.3 -23,-2.2 -25,-0.3 2,-0.4 -0.631 52.0 168.7 -68.6 101.8 2.9 8.6 6.2 104 104 A V E -d 80 0A 4 -2,-0.9 2,-0.3 -25,-0.2 -23,-0.2 -0.985 19.1-158.2-124.0 131.2 5.3 5.9 4.9 105 105 A R E -d 81 0A 113 -25,-1.7 -23,-2.0 -2,-0.4 2,-0.4 -0.845 2.8-160.6-109.1 148.9 6.7 3.0 6.9 106 106 A K E +d 82 0A 68 -2,-0.3 2,-0.3 -25,-0.2 -23,-0.2 -0.999 15.7 164.5-133.3 129.7 9.9 1.0 6.2 107 107 A V E -d 83 0A 8 -25,-1.7 -23,-0.6 -2,-0.4 3,-0.1 -0.936 29.2-155.8-141.0 162.4 10.7 -2.6 7.4 108 108 A T S S+ 0 0 75 -2,-0.3 2,-0.2 -25,-0.2 -1,-0.1 0.819 79.2 62.3-103.5 -52.6 13.2 -5.4 6.6 109 109 A D S > S- 0 0 81 1,-0.1 4,-0.9 -26,-0.1 3,-0.4 -0.523 77.6-133.7 -77.9 144.7 11.4 -8.5 8.0 110 110 A D H > S+ 0 0 48 1,-0.2 4,-1.7 -2,-0.2 5,-0.1 0.770 105.1 64.7 -65.6 -30.1 8.1 -9.6 6.5 111 111 A E H > S+ 0 0 118 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.854 98.1 53.1 -62.5 -38.1 6.8 -10.0 10.1 112 112 A E H > S+ 0 0 72 -3,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.853 106.8 52.4 -67.2 -38.6 7.1 -6.3 10.8 113 113 A A H X S+ 0 0 1 -4,-0.9 4,-2.0 1,-0.2 -2,-0.2 0.907 108.1 51.3 -61.6 -42.7 5.0 -5.5 7.7 114 114 A L H X S+ 0 0 25 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.808 107.8 53.3 -66.2 -33.8 2.3 -7.9 8.9 115 115 A K H X S+ 0 0 124 -4,-1.5 4,-2.4 2,-0.2 -1,-0.2 0.949 110.8 45.3 -62.1 -49.7 2.3 -6.0 12.3 116 116 A I H X S+ 0 0 30 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.777 107.9 57.9 -70.3 -30.0 1.8 -2.6 10.6 117 117 A V H X S+ 0 0 0 -4,-2.0 4,-1.0 2,-0.2 -1,-0.2 0.940 113.0 40.4 -59.3 -47.3 -1.0 -4.1 8.4 118 118 A R H X S+ 0 0 144 -4,-1.7 4,-0.5 1,-0.2 -2,-0.2 0.856 112.9 55.2 -70.2 -38.4 -2.8 -5.1 11.6 119 119 A E H >X S+ 0 0 69 -4,-2.4 4,-2.4 1,-0.2 3,-1.0 0.872 103.5 55.8 -59.6 -40.6 -1.9 -1.7 13.3 120 120 A F H 3X S+ 0 0 2 -4,-2.1 4,-2.5 1,-0.2 5,-0.2 0.847 92.9 70.6 -60.1 -36.5 -3.5 0.1 10.3 121 121 A M H 3< S+ 0 0 26 -4,-1.0 -1,-0.2 1,-0.2 -2,-0.2 0.745 115.3 23.8 -57.2 -29.4 -6.8 -1.8 11.0 122 122 A Q H X< S+ 0 0 140 -3,-1.0 3,-0.8 -4,-0.5 -1,-0.2 0.735 121.1 57.1-100.8 -36.1 -7.3 0.3 14.2 123 123 A K H 3< S+ 0 0 109 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.677 96.8 65.0 -69.6 -20.9 -5.2 3.4 13.3 124 124 A A T 3< S+ 0 0 2 -4,-2.5 2,-1.7 1,-0.2 -1,-0.2 0.777 86.0 74.2 -73.1 -29.4 -7.3 4.0 10.1 125 125 A G S < S+ 0 0 61 -3,-0.8 -1,-0.2 -5,-0.2 2,-0.2 -0.423 74.3 152.3 -80.9 57.6 -10.3 4.7 12.4 126 126 A S - 0 0 60 -2,-1.7 2,-1.6 -3,-0.2 -2,-0.0 -0.502 62.4 -95.7 -84.3 157.8 -8.8 8.1 13.3 127 127 A L - 0 0 163 -2,-0.2 2,-1.3 1,-0.1 -1,-0.1 -0.645 44.8-155.0 -72.4 86.7 -10.9 11.2 14.3 128 128 A E - 0 0 63 -2,-1.6 2,-1.3 1,-0.1 3,-0.1 -0.629 2.9-156.0 -71.8 91.1 -10.9 12.7 10.8 129 129 A H - 0 0 100 -2,-1.3 5,-0.1 1,-0.2 -1,-0.1 -0.681 8.8-159.4 -69.1 94.8 -11.4 16.4 11.5 130 130 A H S S+ 0 0 189 -2,-1.3 2,-2.1 1,-0.2 -1,-0.2 0.802 86.6 65.9 -58.5 -39.0 -12.9 17.0 8.0 131 131 A H S S+ 0 0 134 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 -0.546 81.0 177.3 -75.0 70.7 -12.1 20.8 8.2 132 132 A H + 0 0 150 -2,-2.1 2,-1.3 1,-0.2 -1,-0.2 0.606 58.1 72.5 -73.3 -19.6 -8.6 19.4 8.1 133 133 A H 0 0 176 1,-0.2 -1,-0.2 -3,-0.1 -3,-0.0 -0.599 360.0 360.0 -91.6 67.9 -6.7 22.8 8.1 134 134 A H 0 0 191 -2,-1.3 -1,-0.2 -5,-0.1 -2,-0.2 0.979 360.0 360.0 57.2 360.0 -7.5 23.5 11.8