==== 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 BLOOD CLOTTING 21-JAN-03 1NQ9 . COMPND 2 MOLECULE: ANTITHROMBIN-III; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.A.HUNTINGTON,D.J.D.JOHNSON . 819 8 6 0 6 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32834.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 568 69.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 3.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 178 21.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 64 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 191 23.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.0 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 1 2 2 3 0 1 4 1 2 1 0 0 0 0 0 2 0 0 1 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 2 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 PARALLEL BRIDGES PER LADDER . 3 2 3 1 0 6 2 2 0 4 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 1 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 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 I D 0 0 129 0, 0.0 4,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 68.2 54.3 -16.0 -14.8 2 7 I I > + 0 0 36 144,-0.4 3,-0.5 1,-0.2 110,-0.1 0.656 360.0 71.3 -57.4 -16.7 55.3 -13.0 -16.9 3 8 I a T 3 S+ 0 0 56 1,-0.2 -1,-0.2 109,-0.1 110,-0.1 0.999 103.0 32.4 -64.8 -71.9 53.3 -10.9 -14.5 4 9 I T T 3 S+ 0 0 124 -3,-0.1 -1,-0.2 2,-0.0 2,-0.2 0.192 106.6 100.4 -72.7 19.5 55.5 -10.9 -11.4 5 10 I A < - 0 0 34 -3,-0.5 3,-0.0 -4,-0.2 -3,-0.0 -0.562 64.0-134.7-103.1 168.9 58.6 -11.2 -13.5 6 11 I K >> - 0 0 46 -2,-0.2 3,-1.7 1,-0.1 4,-0.7 -0.851 27.3-107.2-120.5 156.1 61.2 -8.6 -14.6 7 12 I P T 34 S+ 0 0 29 0, 0.0 5,-0.2 0, 0.0 -1,-0.1 0.923 118.5 48.7 -45.9 -59.3 62.8 -7.9 -18.0 8 13 I R T 34 S+ 0 0 215 1,-0.2 -3,-0.0 3,-0.1 0, 0.0 0.588 96.3 79.8 -62.4 -9.1 66.2 -9.3 -17.2 9 14 I D T <4 S+ 0 0 100 -3,-1.7 -1,-0.2 1,-0.3 -4,-0.0 0.980 107.8 16.9 -58.7 -81.1 64.5 -12.4 -15.8 10 15 I I S < S- 0 0 57 -4,-0.7 -1,-0.3 -3,-0.1 2,-0.1 -0.786 93.5-132.5 -97.0 94.7 63.8 -14.2 -19.1 11 16 I P + 0 0 105 0, 0.0 2,-0.3 0, 0.0 -3,-0.1 -0.235 35.8 165.8 -51.2 118.3 66.2 -12.5 -21.6 12 17 I M + 0 0 9 -5,-0.2 93,-0.2 -2,-0.1 -2,-0.1 -0.848 5.9 172.7-140.0 96.9 64.2 -11.7 -24.8 13 18 I N - 0 0 118 -2,-0.3 2,-0.1 89,-0.0 89,-0.1 -0.932 32.3-117.8-116.5 130.0 65.9 -9.3 -27.2 14 19 I P - 0 0 12 0, 0.0 63,-0.1 0, 0.0 62,-0.1 -0.376 17.9-130.6 -63.4 130.2 64.6 -8.4 -30.7 15 20 I M S S+ 0 0 115 61,-0.4 2,-0.4 -2,-0.1 62,-0.1 0.816 97.1 31.9 -48.6 -35.9 66.9 -9.3 -33.5 16 21 I b S S- 0 0 23 60,-0.5 2,-0.3 62,-0.3 62,-0.1 -0.977 74.2-158.8-128.0 139.6 66.6 -5.7 -34.8 17 22 I I - 0 0 94 -2,-0.4 2,-0.5 -4,-0.0 63,-0.2 -0.788 9.8-139.5-114.0 160.7 66.0 -2.6 -32.8 18 23 I Y - 0 0 30 -2,-0.3 2,-0.5 79,-0.1 82,-0.0 -0.971 14.4-175.5-128.4 123.5 64.6 0.7 -34.0 19 24 I R - 0 0 92 -2,-0.5 74,-0.1 81,-0.0 -2,-0.0 -0.964 22.7-133.5-116.7 126.1 65.9 4.2 -33.0 20 25 I S 0 0 67 -2,-0.5 -2,-0.0 73,-0.1 64,-0.0 -0.624 360.0 360.0 -83.8 131.7 64.0 7.3 -34.2 21 26 I P 0 0 168 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.984 360.0 360.0 -60.5 360.0 65.9 10.2 -35.8 22 ! 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 23 39 I K 0 0 134 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-178.1 52.2 12.5 -13.9 24 40 I I - 0 0 75 1,-0.1 3,-0.1 6,-0.0 6,-0.1 0.136 360.0-113.0 -35.9 138.0 52.3 8.7 -13.3 25 41 I P > - 0 0 23 0, 0.0 3,-0.7 0, 0.0 -1,-0.1 -0.307 41.5 -82.8 -73.0 159.2 49.4 7.2 -11.3 26 42 I E T 3 S+ 0 0 162 1,-0.2 3,-0.1 -2,-0.0 0, 0.0 -0.104 109.8 12.4 -58.7 160.6 49.9 5.7 -7.9 27 43 I A T 3 S+ 0 0 80 1,-0.1 2,-0.4 -3,-0.1 -1,-0.2 0.781 101.1 132.2 36.9 45.7 51.2 2.1 -7.6 28 44 I T < - 0 0 24 -3,-0.7 2,-0.7 -4,-0.0 -1,-0.1 -0.971 62.4-123.2-132.8 141.5 52.2 2.0 -11.2 29 45 I N > - 0 0 83 -2,-0.4 4,-1.5 1,-0.1 3,-0.3 -0.676 21.9-142.4 -78.6 114.0 55.2 1.0 -13.2 30 46 I R H > S+ 0 0 59 -2,-0.7 4,-1.4 1,-0.2 -1,-0.1 0.648 98.5 57.9 -51.6 -19.7 56.3 4.0 -15.3 31 47 I R H > S+ 0 0 73 2,-0.2 4,-1.7 1,-0.2 3,-0.3 0.969 105.1 47.5 -73.1 -58.2 57.2 1.8 -18.2 32 48 I V H > S+ 0 0 7 -3,-0.3 4,-2.0 1,-0.2 -2,-0.2 0.774 110.0 58.1 -51.6 -29.6 53.7 0.3 -18.5 33 49 I W H X S+ 0 0 79 -4,-1.5 4,-2.4 2,-0.2 -1,-0.2 0.946 103.3 46.5 -71.4 -50.2 52.4 3.8 -18.4 34 50 I E H X S+ 0 0 45 -4,-1.4 4,-1.0 -3,-0.3 -1,-0.2 0.840 114.3 51.3 -61.7 -32.4 54.2 5.3 -21.3 35 51 I L H X S+ 0 0 1 -4,-1.7 4,-2.1 2,-0.2 3,-0.5 0.926 108.1 50.3 -68.6 -47.2 53.2 2.3 -23.4 36 52 I S H X S+ 0 0 1 -4,-2.0 4,-1.6 1,-0.3 362,-0.3 0.897 108.2 53.1 -57.7 -43.2 49.5 2.6 -22.4 37 53 I K H X S+ 0 0 49 -4,-2.4 4,-1.0 1,-0.2 -1,-0.3 0.799 108.5 51.6 -63.5 -28.5 49.6 6.3 -23.4 38 54 I A H X S+ 0 0 2 -4,-1.0 4,-1.6 -3,-0.5 -2,-0.2 0.872 102.0 57.4 -75.6 -39.6 50.9 5.2 -26.8 39 55 I N H X S+ 0 0 1 -4,-2.1 4,-2.6 1,-0.2 3,-0.2 0.897 106.3 54.0 -56.4 -37.6 48.2 2.6 -27.3 40 56 I S H X S+ 0 0 17 -4,-1.6 4,-1.9 1,-0.2 5,-0.3 0.854 102.8 53.1 -64.1 -39.1 45.9 5.7 -26.9 41 57 I R H X S+ 0 0 92 -4,-1.0 4,-0.8 1,-0.2 -1,-0.2 0.795 115.7 42.3 -68.6 -24.9 47.6 7.6 -29.6 42 58 I F H X S+ 0 0 0 -4,-1.6 4,-2.8 48,-0.2 5,-0.2 0.821 108.4 60.8 -86.9 -34.2 47.0 4.6 -31.8 43 59 I A H X S+ 0 0 0 -4,-2.6 4,-2.6 -5,-0.2 5,-0.2 0.953 109.4 38.6 -57.0 -57.5 43.5 4.1 -30.6 44 60 I T H X S+ 0 0 4 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.901 118.1 49.3 -64.1 -41.7 42.1 7.4 -31.7 45 61 I T H X S+ 0 0 43 -4,-0.8 4,-1.8 -5,-0.3 -1,-0.2 0.920 115.5 43.9 -65.2 -40.5 44.1 7.5 -34.9 46 62 I F H X S+ 0 0 0 -4,-2.8 4,-1.8 2,-0.2 -2,-0.2 0.867 113.9 49.8 -72.9 -35.3 42.9 4.0 -35.8 47 63 I Y H X S+ 0 0 3 -4,-2.6 4,-3.3 -5,-0.2 5,-0.2 0.896 108.8 53.3 -69.0 -39.2 39.3 4.6 -34.8 48 64 I Q H X S+ 0 0 58 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.952 110.3 45.7 -60.9 -48.8 39.2 7.8 -36.8 49 65 I H H X S+ 0 0 44 -4,-1.8 4,-0.6 1,-0.2 -1,-0.2 0.894 115.3 49.3 -60.4 -39.7 40.4 6.1 -40.0 50 66 I L H >< S+ 0 0 6 -4,-1.8 3,-0.8 2,-0.2 -2,-0.2 0.928 112.9 45.5 -65.1 -46.7 37.9 3.3 -39.3 51 67 I A H >< S+ 0 0 4 -4,-3.3 3,-2.6 1,-0.2 -2,-0.2 0.951 108.1 56.5 -62.1 -50.1 35.0 5.6 -38.7 52 68 I D H 3< S+ 0 0 150 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.643 106.7 51.8 -57.9 -16.0 35.7 7.7 -41.7 53 69 I S T << S+ 0 0 69 -3,-0.8 -1,-0.3 -4,-0.6 2,-0.3 0.317 103.3 71.6-104.8 7.8 35.5 4.6 -43.9 54 70 I K S < S- 0 0 61 -3,-2.6 2,-0.3 -4,-0.1 -3,-0.0 -0.770 88.7 -96.2-120.6 167.4 32.2 3.5 -42.6 55 71 I N > - 0 0 92 -2,-0.3 3,-2.4 1,-0.1 -2,-0.1 -0.633 33.6-124.9 -80.2 137.0 28.5 4.6 -43.0 56 72 I D T 3 S+ 0 0 75 -2,-0.3 168,-0.2 1,-0.3 -1,-0.1 0.646 108.5 61.2 -57.3 -16.7 27.4 6.7 -40.1 57 73 I N T 3 S+ 0 0 34 166,-0.1 2,-0.4 167,-0.1 -1,-0.3 0.421 87.5 96.5 -91.8 3.5 24.5 4.4 -39.4 58 74 I D S < S- 0 0 77 -3,-2.4 -4,-0.1 347,-0.1 2,-0.1 -0.748 70.9-129.0 -97.2 140.2 26.8 1.5 -38.7 59 75 I N - 0 0 41 -2,-0.4 2,-0.3 347,-0.2 345,-0.2 -0.314 23.2-160.5 -76.3 165.5 28.0 0.4 -35.2 60 76 I I E +A 403 0A 0 343,-2.0 343,-2.4 -2,-0.1 2,-0.3 -0.989 17.6 161.6-147.9 150.8 31.6 -0.1 -34.4 61 77 I F E +A 402 0A 1 -2,-0.3 288,-0.3 341,-0.3 2,-0.3 -0.869 11.3 143.5-168.9 135.7 33.6 -2.0 -31.7 62 78 I L E -A 401 0A 0 339,-1.4 339,-2.1 -2,-0.3 3,-0.1 -0.974 45.7-111.8-164.7 169.2 37.2 -3.1 -31.4 63 79 I S > - 0 0 1 -2,-0.3 4,-2.4 337,-0.2 337,-0.2 -0.909 22.4-178.0-116.3 103.1 40.0 -3.5 -29.0 64 80 I P H > S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.895 88.7 52.2 -65.6 -34.5 42.8 -1.1 -29.8 65 81 I L H > S+ 0 0 2 334,-0.6 4,-2.4 333,-0.5 5,-0.2 0.960 109.4 48.4 -63.4 -50.2 44.8 -2.6 -26.9 66 82 I S H > S+ 0 0 7 333,-0.5 4,-2.1 1,-0.2 -1,-0.2 0.909 112.8 48.0 -55.8 -45.1 44.3 -6.1 -28.3 67 83 I I H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.867 110.4 52.7 -66.3 -35.0 45.3 -5.0 -31.8 68 84 I S H < S+ 0 0 0 -4,-2.2 4,-0.5 2,-0.2 -2,-0.2 0.898 108.8 48.2 -67.8 -41.0 48.4 -3.3 -30.4 69 85 I T H >X S+ 0 0 9 -4,-2.4 4,-1.4 2,-0.2 3,-0.8 0.918 110.2 53.6 -64.9 -43.1 49.6 -6.3 -28.5 70 86 I A H >< S+ 0 0 0 -4,-2.1 3,-1.2 1,-0.3 4,-0.4 0.969 111.5 42.8 -56.3 -57.4 49.2 -8.5 -31.5 71 87 I F T 3X S+ 0 0 0 -4,-2.1 4,-1.0 1,-0.3 -1,-0.3 0.529 105.4 64.6 -70.1 -3.3 51.2 -6.3 -33.8 72 88 I A H <> S+ 0 0 0 -3,-0.8 4,-1.3 -4,-0.5 -1,-0.3 0.788 94.8 61.5 -83.2 -30.1 53.8 -5.9 -31.0 73 89 I M H << S+ 0 0 1 -4,-1.4 4,-0.4 -3,-1.2 -2,-0.2 0.690 107.6 42.5 -67.8 -18.3 54.3 -9.6 -31.4 74 90 I T H > S+ 0 0 2 -4,-0.4 4,-0.8 2,-0.2 3,-0.4 0.745 102.5 65.9 -96.7 -27.6 55.4 -9.0 -35.0 75 91 I K H < S+ 0 0 0 -4,-1.0 3,-0.4 1,-0.2 -2,-0.2 0.828 92.9 67.8 -59.0 -29.8 57.5 -6.0 -34.0 76 92 I L T < S+ 0 0 5 -4,-1.3 -60,-0.5 1,-0.2 -61,-0.4 0.943 113.1 25.1 -56.4 -52.3 59.6 -8.5 -32.2 77 93 I G T 4 S+ 0 0 1 -4,-0.4 258,-1.7 -3,-0.4 259,-0.4 0.340 99.4 117.3 -97.0 8.7 60.8 -10.2 -35.3 78 94 I A < - 0 0 0 -4,-0.8 -62,-0.3 -3,-0.4 2,-0.3 -0.383 40.0-177.1 -76.3 154.6 60.4 -7.2 -37.6 79 95 I b > - 0 0 18 253,-1.6 3,-1.2 -2,-0.1 4,-0.4 -0.996 41.2 -11.7-152.5 151.7 63.4 -5.6 -39.3 80 96 I N T >> S- 0 0 100 -2,-0.3 4,-2.1 1,-0.3 3,-0.5 -0.312 125.5 -7.4 62.2-136.1 64.2 -2.6 -41.6 81 97 I D H 3> S+ 0 0 89 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.789 134.4 60.5 -64.0 -27.5 61.3 -0.8 -43.2 82 98 I T H <> S+ 0 0 0 -3,-1.2 4,-1.4 248,-0.2 -1,-0.2 0.876 109.2 43.4 -66.5 -35.7 58.9 -3.4 -41.9 83 99 I L H <> S+ 0 0 3 -3,-0.5 4,-1.9 -4,-0.4 -2,-0.2 0.869 113.5 50.0 -77.6 -37.4 60.0 -2.5 -38.4 84 100 I Q H X S+ 0 0 70 -4,-2.1 4,-2.9 2,-0.2 5,-0.3 0.955 111.7 46.9 -66.2 -50.4 59.9 1.3 -39.0 85 101 I Q H X S+ 0 0 37 -4,-2.4 4,-2.9 1,-0.2 5,-0.3 0.927 112.3 52.5 -56.3 -43.2 56.4 1.3 -40.5 86 102 I L H X S+ 0 0 0 -4,-1.4 4,-1.4 -5,-0.3 6,-0.3 0.865 112.3 45.1 -60.1 -38.0 55.4 -0.9 -37.6 87 103 I M H <>S+ 0 0 0 -4,-1.9 5,-2.6 2,-0.2 6,-1.7 0.870 116.6 43.5 -74.6 -40.1 56.8 1.6 -35.1 88 104 I E H ><5S+ 0 0 84 -4,-2.9 3,-0.8 3,-0.2 -2,-0.2 0.893 113.4 50.2 -74.8 -40.8 55.4 4.7 -36.7 89 105 I V H 3<5S+ 0 0 16 -4,-2.9 -2,-0.2 -5,-0.3 -3,-0.2 0.905 116.7 39.8 -64.6 -43.6 51.9 3.3 -37.4 90 106 I F T 3<5S- 0 0 0 -4,-1.4 -1,-0.2 -5,-0.3 -48,-0.2 0.238 111.7-115.9 -92.2 13.9 51.4 2.0 -33.8 91 107 I K T < 5S+ 0 0 67 -3,-0.8 3,-0.5 -50,-0.1 -3,-0.2 0.828 75.7 132.0 57.0 35.6 53.0 5.1 -32.2 92 108 I F > < + 0 0 1 -5,-2.6 3,-1.4 -6,-0.3 -4,-0.2 0.784 57.6 70.4 -84.8 -29.0 55.8 2.9 -30.7 93 109 I D T 3 S+ 0 0 43 -6,-1.7 -1,-0.2 1,-0.3 -73,-0.1 0.464 86.5 72.1 -67.4 2.3 58.5 5.3 -31.9 94 110 I T T 3 S+ 0 0 81 -3,-0.5 -1,-0.3 -7,-0.3 2,-0.2 0.205 87.4 75.3-103.5 16.1 57.3 7.7 -29.3 95 111 I I S < S- 0 0 27 -3,-1.4 -3,-0.0 1,-0.1 -60,-0.0 -0.699 88.0 -78.4-121.5 173.7 58.6 5.8 -26.2 96 112 I S > - 0 0 46 -2,-0.2 4,-2.3 1,-0.1 -1,-0.1 -0.277 40.6-113.8 -70.7 157.7 61.9 5.2 -24.5 97 113 I E H > S+ 0 0 116 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.856 111.5 51.4 -60.1 -45.1 64.4 2.7 -25.7 98 114 I K H > S+ 0 0 76 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.941 116.2 42.0 -61.5 -45.9 64.3 0.1 -22.9 99 115 I T H 4 S+ 0 0 0 2,-0.2 7,-0.3 1,-0.2 -2,-0.2 0.875 114.7 53.9 -67.7 -36.1 60.5 -0.0 -23.2 100 116 I S H >< S+ 0 0 5 -4,-2.3 3,-1.8 1,-0.2 -2,-0.2 0.960 109.7 44.0 -61.7 -54.6 60.8 -0.1 -27.0 101 117 I D H 3< S+ 0 0 23 -4,-3.1 3,-0.2 1,-0.3 -1,-0.2 0.780 122.8 39.4 -63.6 -27.0 63.2 -3.0 -27.1 102 118 I Q T >X S+ 0 0 18 -4,-1.5 4,-2.3 -5,-0.3 3,-0.9 0.081 78.1 130.6-107.8 20.6 61.1 -4.9 -24.6 103 119 I I H <> S+ 0 0 0 -3,-1.8 4,-0.9 1,-0.3 -1,-0.2 0.799 72.4 51.0 -42.0 -40.8 57.8 -3.6 -26.1 104 120 I H H 3> S+ 0 0 0 -3,-0.2 4,-1.6 -4,-0.2 -1,-0.3 0.884 110.1 49.0 -68.2 -40.1 56.5 -7.2 -26.1 105 121 I F H <> S+ 0 0 18 -3,-0.9 4,-2.0 1,-0.2 -2,-0.2 0.932 108.8 51.3 -66.7 -46.5 57.3 -7.8 -22.5 106 122 I F H X S+ 0 0 6 -4,-2.3 4,-2.5 -7,-0.3 -1,-0.2 0.722 106.0 56.8 -66.0 -19.0 55.8 -4.6 -21.2 107 123 I F H X S+ 0 0 0 -4,-0.9 4,-3.4 -5,-0.3 5,-0.3 0.924 105.3 49.7 -75.3 -43.3 52.6 -5.4 -23.1 108 124 I A H X S+ 0 0 9 -4,-1.6 4,-1.4 1,-0.2 -2,-0.2 0.873 112.7 49.6 -60.0 -36.4 52.3 -8.7 -21.2 109 125 I K H X S+ 0 0 27 -4,-2.0 4,-2.3 2,-0.2 3,-0.3 0.968 112.0 46.2 -66.5 -53.3 52.9 -6.6 -18.0 110 126 I L H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.957 114.0 47.8 -52.9 -56.8 50.2 -4.1 -19.0 111 127 I N H X S+ 0 0 37 -4,-3.4 4,-3.4 1,-0.2 -1,-0.2 0.769 108.5 57.2 -57.3 -27.4 47.7 -6.9 -19.9 112 128 I a H < S+ 0 0 20 -4,-1.4 4,-0.3 -3,-0.3 -1,-0.2 0.982 104.9 50.0 -65.0 -56.4 48.5 -8.6 -16.6 113 129 I R H < S+ 0 0 51 -4,-2.3 4,-0.4 1,-0.2 3,-0.4 0.855 120.4 36.6 -48.9 -43.2 47.5 -5.5 -14.6 114 130 I L H >< S+ 0 0 0 -4,-1.9 3,-1.7 1,-0.2 -1,-0.2 0.932 110.0 58.1 -79.3 -48.8 44.2 -5.4 -16.5 115 131 I Y T 3< S+ 0 0 76 -4,-3.4 -1,-0.2 1,-0.3 -2,-0.2 0.385 109.6 51.3 -64.3 8.8 43.5 -9.1 -16.9 116 132 I R T 3 0 0 128 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.2 0.558 360.0 360.0-115.2 -22.5 43.7 -9.1 -13.1 117 133 I K < 0 0 68 -3,-1.7 5,-0.3 -4,-0.4 141,-0.0 -0.425 360.0 360.0-101.9 360.0 41.3 -6.2 -12.5 118 ! 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 0.0 119 137 I S 0 0 121 0, 0.0 2,-0.7 0, 0.0 139,-0.1 0.000 360.0 360.0 360.0 -45.9 34.2 -9.4 -10.4 120 138 I S - 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