==== 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 VIRAL PROTEIN, RECOMBINATION 24-SEP-05 2B4J . COMPND 2 MOLECULE: INTEGRASE (IN); . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR P.CHEREPANOV,A.L.AMBROSIO,S.RAHMAN,T.ELLENBERGER,A.ENGELMAN . 444 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20684.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 341 76.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 3.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 34 7.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 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 0.5 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 . 21 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 221 49.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 2 2 0 0 0 0 4 0 3 1 4 1 4 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 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 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 2 2 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 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 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 56 A C 0 0 109 0, 0.0 4,-0.0 0, 0.0 24,-0.0 0.000 360.0 360.0 360.0 175.3 3.1 -0.2 -38.6 2 57 A S > - 0 0 78 1,-0.1 3,-1.2 2,-0.1 23,-0.3 -0.201 360.0-129.7 -47.2 128.9 3.3 -4.0 -37.8 3 58 A P T 3 S+ 0 0 35 0, 0.0 -1,-0.1 0, 0.0 23,-0.1 0.510 97.9 55.2 -73.4 -5.3 0.2 -4.9 -35.8 4 59 A G T 3 S+ 0 0 8 51,-0.1 52,-2.4 49,-0.1 53,-2.0 0.127 79.9 116.9-107.8 21.4 1.8 -6.8 -32.8 5 60 A I E < +a 57 0A 28 -3,-1.2 19,-1.4 51,-0.2 20,-0.5 -0.789 37.4 176.2 -97.0 129.2 4.2 -4.0 -31.8 6 61 A W E -aB 58 23A 0 51,-2.8 53,-3.0 -2,-0.5 2,-0.4 -0.926 20.7-145.6-126.4 148.0 3.9 -2.4 -28.3 7 62 A Q E -aB 59 22A 47 15,-2.3 15,-2.6 -2,-0.3 2,-0.4 -0.954 18.5-164.6-107.5 139.9 6.0 0.2 -26.5 8 63 A L E + B 0 21A 2 51,-2.6 53,-0.4 -2,-0.4 2,-0.3 -0.956 17.7 148.1-121.7 141.3 6.4 -0.1 -22.7 9 64 A D E - B 0 20A 16 11,-2.2 11,-3.6 -2,-0.4 2,-0.4 -0.975 36.1-121.8-158.0 169.1 7.5 2.5 -20.1 10 65 A C E - B 0 19A 15 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.926 24.8-179.4-112.0 138.5 7.2 3.6 -16.6 11 66 A T E - B 0 18A 13 7,-2.5 7,-2.8 -2,-0.4 2,-0.3 -0.810 18.4-130.4-125.1 171.5 6.1 7.1 -15.6 12 67 A H E + B 0 17A 89 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.951 26.1 163.6-129.6 145.6 5.7 8.6 -12.0 13 68 A L E > S- B 0 16A 46 3,-1.8 3,-2.3 -2,-0.3 -2,-0.0 -0.913 71.9 -0.5-157.0 135.5 3.0 10.5 -10.3 14 69 A E T 3 S- 0 0 102 -2,-0.3 3,-0.1 1,-0.3 94,-0.1 0.795 127.7 -59.3 55.6 32.2 2.3 11.2 -6.6 15 70 A G T 3 S+ 0 0 84 1,-0.3 -1,-0.3 0, 0.0 2,-0.3 0.563 115.6 113.6 74.5 9.2 5.4 9.1 -5.7 16 71 A K E < -B 13 0A 104 -3,-2.3 -3,-1.8 20,-0.0 2,-0.5 -0.747 65.3-124.0-110.5 156.4 3.9 6.0 -7.4 17 72 A V E -BC 12 34A 18 17,-0.7 17,-2.5 -2,-0.3 2,-0.5 -0.893 18.8-164.7-102.7 131.5 5.0 4.2 -10.5 18 73 A I E -BC 11 33A 0 -7,-2.8 -7,-2.5 -2,-0.5 2,-0.5 -0.978 10.2-149.0-113.8 118.7 2.6 3.7 -13.4 19 74 A L E -BC 10 32A 0 13,-3.0 13,-2.0 -2,-0.5 2,-0.4 -0.835 19.5-163.2 -87.1 126.1 3.6 1.1 -16.0 20 75 A V E -BC 9 31A 0 -11,-3.6 -11,-2.2 -2,-0.5 2,-0.4 -0.942 11.8-170.7-117.5 131.5 2.3 2.1 -19.4 21 76 A A E -BC 8 30A 0 9,-3.7 9,-2.3 -2,-0.4 2,-0.5 -0.974 6.0-168.4-118.0 134.7 1.8 -0.0 -22.6 22 77 A V E -BC 7 29A 1 -15,-2.6 -15,-2.3 -2,-0.4 2,-1.0 -0.986 20.9-140.7-123.0 127.3 0.9 1.5 -25.9 23 78 A H E >>> -BC 6 28A 0 5,-3.0 4,-2.6 -2,-0.5 3,-0.9 -0.774 23.6-152.6 -81.8 108.7 -0.2 -0.4 -29.0 24 79 A V T 345S+ 0 0 45 -19,-1.4 -1,-0.2 -2,-1.0 -18,-0.1 0.854 84.6 52.0 -60.7 -44.8 1.7 1.6 -31.6 25 80 A A T 345S+ 0 0 34 -20,-0.5 -1,-0.3 -23,-0.3 -19,-0.1 0.832 125.7 24.6 -59.6 -33.5 -0.4 1.1 -34.7 26 81 A S T <45S- 0 0 4 -3,-0.9 -2,-0.2 2,-0.1 -1,-0.2 0.668 93.8-123.8-107.8 -24.8 -3.6 2.2 -32.9 27 82 A G T <5 + 0 0 11 -4,-2.6 -3,-0.1 1,-0.3 98,-0.1 0.511 58.2 151.3 80.8 5.4 -2.7 4.4 -29.9 28 83 A Y E < -C 23 0A 1 -5,-0.6 -5,-3.0 97,-0.3 2,-0.3 -0.438 27.1-161.5 -61.6 140.2 -4.6 2.0 -27.6 29 84 A I E -C 22 0A 2 -7,-0.2 2,-0.3 87,-0.2 -7,-0.2 -0.923 23.6-170.3-126.4 156.1 -3.1 2.0 -24.0 30 85 A E E +C 21 0A 8 -9,-2.3 -9,-3.7 -2,-0.3 2,-0.3 -0.974 20.2 168.1-129.7 149.7 -3.0 -0.1 -20.9 31 86 A A E +C 20 0A 5 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.987 8.7 178.0-159.5 149.2 -1.6 1.3 -17.6 32 87 A E E -C 19 0A 26 -13,-2.0 -13,-3.0 -2,-0.3 2,-0.4 -0.978 35.1-111.5-154.3 144.6 -1.5 0.4 -14.0 33 88 A V E -C 18 0A 24 -2,-0.3 -15,-0.3 -15,-0.3 -2,-0.0 -0.633 40.0-161.4 -65.5 127.9 0.0 1.5 -10.8 34 89 A I E -C 17 0A 6 -17,-2.5 -17,-0.7 -2,-0.4 3,-0.1 -0.928 23.6-125.2-117.8 145.2 2.6 -1.1 -9.8 35 90 A P S S+ 0 0 107 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.742 89.7 2.3 -59.7 -28.2 4.0 -1.5 -6.3 36 91 A A S S- 0 0 43 2,-0.1 2,-1.8 -19,-0.0 5,-0.2 -0.976 74.5-109.1-161.0 152.1 7.7 -1.2 -7.4 37 92 A E S S+ 0 0 81 -2,-0.3 2,-0.3 4,-0.1 28,-0.1 -0.542 71.5 129.0 -87.1 76.1 9.6 -0.6 -10.6 38 93 A T S > S- 0 0 59 -2,-1.8 4,-2.0 27,-0.1 5,-0.2 -0.842 73.7-108.5-130.8 161.8 11.0 -4.1 -11.0 39 94 A G H > S+ 0 0 6 -2,-0.3 4,-3.1 2,-0.2 5,-0.2 0.890 116.5 56.0 -54.3 -43.4 11.4 -6.9 -13.4 40 95 A Q H > S+ 0 0 48 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.959 110.4 43.0 -58.2 -48.0 8.8 -9.0 -11.5 41 96 A E H > S+ 0 0 37 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.877 116.5 48.0 -65.3 -39.0 6.1 -6.3 -11.7 42 97 A T H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.917 111.7 50.0 -66.9 -42.0 6.9 -5.7 -15.4 43 98 A A H X S+ 0 0 6 -4,-3.1 4,-2.2 2,-0.2 -2,-0.2 0.899 110.8 49.5 -63.1 -42.3 6.9 -9.4 -16.2 44 99 A Y H X S+ 0 0 17 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.2 0.928 111.2 49.2 -64.3 -47.6 3.5 -9.9 -14.5 45 100 A F H X S+ 0 0 5 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.919 112.2 48.9 -54.9 -44.8 2.0 -7.0 -16.4 46 101 A L H X S+ 0 0 2 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.869 107.7 53.4 -69.2 -39.1 3.4 -8.3 -19.7 47 102 A L H X S+ 0 0 7 -4,-2.2 4,-1.1 2,-0.2 -1,-0.2 0.858 110.6 47.1 -61.3 -41.0 2.1 -11.8 -19.1 48 103 A K H X S+ 0 0 13 -4,-1.9 4,-0.7 2,-0.2 3,-0.3 0.913 114.1 48.1 -60.5 -47.6 -1.4 -10.4 -18.5 49 104 A L H >X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 3,-1.0 0.922 108.5 54.4 -59.8 -45.6 -1.1 -8.2 -21.7 50 105 A A H 3< S+ 0 0 1 -4,-2.8 5,-0.3 1,-0.2 -1,-0.2 0.766 104.2 53.3 -59.8 -34.7 0.2 -11.1 -23.8 51 106 A G H 3< S+ 0 0 2 -4,-1.1 -1,-0.2 -3,-0.3 -2,-0.2 0.656 113.9 44.6 -77.8 -14.4 -2.8 -13.3 -23.0 52 107 A R H << S+ 0 0 22 -3,-1.0 -2,-0.2 -4,-0.7 -1,-0.2 0.766 122.4 15.6 -94.3 -36.3 -5.2 -10.6 -24.0 53 108 A W S < S- 0 0 3 -4,-1.8 2,-0.9 -49,-0.0 -1,-0.1 -0.843 90.9 -87.1-130.5 169.5 -3.8 -9.3 -27.3 54 109 A P - 0 0 38 0, 0.0 2,-0.7 0, 0.0 -3,-0.1 -0.752 46.1-176.6 -81.2 112.4 -1.2 -10.4 -29.8 55 110 A V + 0 0 11 -2,-0.9 -50,-0.2 -5,-0.3 3,-0.1 -0.947 18.5 153.0-109.2 109.1 2.0 -9.1 -28.3 56 111 A K + 0 0 142 -52,-2.4 25,-3.2 -2,-0.7 2,-0.4 0.797 66.2 18.2-102.5 -41.0 4.8 -9.9 -30.8 57 112 A T E -ad 5 81A 21 -53,-2.0 -51,-2.8 23,-0.2 2,-0.5 -1.000 60.5-163.9-137.3 131.4 7.4 -7.2 -30.1 58 113 A V E -ad 6 82A 0 23,-2.8 25,-2.5 -2,-0.4 2,-0.6 -0.980 8.1-156.4-117.5 125.2 7.8 -4.9 -27.1 59 114 A H E +ad 7 83A 57 -53,-3.0 -51,-2.6 -2,-0.5 2,-0.3 -0.878 26.8 153.9 -99.6 125.4 10.0 -1.9 -27.4 60 115 A T - 0 0 13 23,-2.1 -51,-0.1 -2,-0.6 2,-0.1 -0.844 40.7-102.1-134.5 172.7 11.4 -0.5 -24.1 61 116 A D - 0 0 87 -53,-0.4 -1,-0.1 -2,-0.3 -53,-0.0 -0.257 47.3 -92.2 -80.8-173.0 14.4 1.5 -22.8 62 117 A N S S+ 0 0 120 22,-0.1 5,-0.1 -2,-0.1 22,-0.1 0.176 73.0 140.0 -87.0 9.1 17.4 0.0 -21.1 63 118 A G >> - 0 0 27 1,-0.1 4,-1.5 3,-0.1 3,-1.2 -0.236 63.4-118.3 -59.1 152.2 16.0 0.4 -17.6 64 119 A S H 3> S+ 0 0 91 1,-0.3 4,-1.3 2,-0.2 -1,-0.1 0.739 111.7 62.8 -73.1 -23.5 16.8 -2.6 -15.5 65 120 A N H 34 S+ 0 0 8 1,-0.2 -1,-0.3 2,-0.2 -23,-0.1 0.753 110.9 41.5 -69.2 -22.8 13.1 -3.5 -14.9 66 121 A F H <4 S+ 0 0 2 -3,-1.2 -2,-0.2 1,-0.1 -1,-0.2 0.760 117.7 43.4 -91.6 -31.4 12.9 -4.0 -18.6 67 122 A T H < S+ 0 0 43 -4,-1.5 -2,-0.2 -5,-0.1 -3,-0.2 0.512 84.4 127.5 -94.8 -7.8 16.2 -5.8 -19.2 68 123 A S X - 0 0 28 -4,-1.3 4,-2.5 -5,-0.2 3,-0.3 -0.149 69.7-126.3 -39.5 136.8 15.7 -8.1 -16.1 69 124 A T H > S+ 0 0 71 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.741 112.2 63.5 -64.4 -19.6 16.1 -11.8 -16.9 70 125 A T H > S+ 0 0 28 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.911 105.1 43.6 -69.1 -37.6 12.7 -12.1 -15.3 71 126 A V H > S+ 0 0 0 -3,-0.3 4,-2.8 2,-0.2 -2,-0.2 0.926 113.5 52.5 -66.4 -44.5 11.2 -10.0 -18.0 72 127 A K H X S+ 0 0 66 -4,-2.5 4,-3.0 1,-0.2 -2,-0.2 0.889 109.4 49.2 -55.9 -40.6 13.3 -11.9 -20.6 73 128 A A H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.902 110.7 48.9 -67.4 -43.4 11.9 -15.2 -19.2 74 129 A A H X S+ 0 0 1 -4,-2.0 4,-2.7 315,-0.2 -2,-0.2 0.928 113.1 48.0 -60.4 -45.2 8.3 -14.0 -19.4 75 130 A C H X>S+ 0 0 2 -4,-2.8 5,-3.1 2,-0.2 4,-0.7 0.936 112.6 48.7 -61.2 -44.8 8.9 -12.8 -23.0 76 131 A W H ><5S+ 0 0 56 -4,-3.0 3,-1.0 3,-0.2 -2,-0.2 0.937 113.1 48.6 -55.5 -47.6 10.5 -16.1 -23.9 77 132 A W H 3<5S+ 0 0 40 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.915 117.0 39.7 -64.0 -42.2 7.6 -17.9 -22.3 78 133 A A H 3<5S- 0 0 12 -4,-2.7 -1,-0.3 -5,-0.1 -2,-0.2 0.419 113.7-113.2 -92.1 4.2 4.9 -15.9 -24.1 79 134 A G T <<5 + 0 0 57 -3,-1.0 2,-0.4 -4,-0.7 -3,-0.2 0.851 63.9 151.9 69.3 39.2 6.9 -15.8 -27.4 80 135 A I < - 0 0 13 -5,-3.1 2,-0.4 -6,-0.2 -1,-0.2 -0.874 38.1-141.9-107.4 132.5 7.5 -12.0 -27.3 81 136 A K E -d 57 0A 145 -25,-3.2 -23,-2.8 -2,-0.4 2,-0.4 -0.758 16.0-148.8 -88.5 136.3 10.5 -10.3 -28.9 82 137 A Q E -d 58 0A 35 -2,-0.4 2,-0.4 -25,-0.2 -23,-0.2 -0.874 12.2-172.0-107.6 139.5 12.2 -7.4 -27.1 83 138 A E E d 59 0A 103 -25,-2.5 -23,-2.1 -2,-0.4 -2,-0.0 -0.997 360.0 360.0-127.5 129.6 13.9 -4.4 -28.5 84 139 A F 0 0 103 -2,-0.4 -22,-0.1 -25,-0.2 -1,-0.1 0.776 360.0 360.0-109.2 360.0 15.8 -1.9 -26.3 85 ! 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 86 150 A V > 0 0 96 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -19.7 4.8 7.6 -29.2 87 151 A I H > + 0 0 12 2,-0.2 4,-3.4 1,-0.2 5,-0.1 0.859 360.0 55.7 -68.5 -36.6 4.9 6.4 -25.5 88 152 A E H > S+ 0 0 163 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.855 110.3 47.0 -62.0 -37.0 6.5 9.6 -24.2 89 153 A S H > S+ 0 0 78 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.859 113.2 49.4 -66.0 -40.9 3.5 11.5 -25.9 90 154 A M H X S+ 0 0 32 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.876 103.5 59.4 -66.2 -41.3 1.2 8.9 -24.3 91 155 A N H X S+ 0 0 19 -4,-3.4 4,-2.2 1,-0.2 -1,-0.2 0.928 110.7 43.4 -48.5 -48.2 2.8 9.4 -20.8 92 156 A K H X S+ 0 0 135 -4,-1.3 4,-1.6 2,-0.2 -2,-0.2 0.867 112.1 49.2 -71.5 -42.7 1.8 13.1 -21.0 93 157 A E H X S+ 0 0 71 -4,-1.8 4,-2.6 2,-0.2 -1,-0.2 0.901 111.9 53.2 -63.6 -38.0 -1.7 12.6 -22.4 94 158 A L H X S+ 0 0 1 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.955 108.5 46.6 -60.3 -54.3 -2.3 10.0 -19.6 95 159 A K H X S+ 0 0 73 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.797 110.6 55.5 -57.7 -32.1 -1.1 12.4 -16.8 96 160 A K H X S+ 0 0 102 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.966 110.7 43.5 -64.7 -53.2 -3.4 15.1 -18.3 97 161 A I H X S+ 0 0 1 -4,-2.6 4,-1.3 1,-0.2 -2,-0.2 0.898 109.2 57.7 -61.0 -42.4 -6.4 12.8 -18.2 98 162 A I H >X S+ 0 0 2 -4,-2.8 4,-0.9 1,-0.2 3,-0.5 0.924 107.6 48.9 -52.8 -44.9 -5.5 11.7 -14.6 99 163 A G H 3< S+ 0 0 56 -4,-1.8 4,-0.3 1,-0.2 -1,-0.2 0.853 107.9 53.1 -64.9 -36.5 -5.6 15.3 -13.5 100 164 A Q H 3< S+ 0 0 106 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.744 122.5 29.3 -70.4 -24.2 -9.0 16.0 -15.1 101 165 A V H X< S+ 0 0 5 -4,-1.3 3,-2.5 -3,-0.5 4,-0.2 0.360 87.6 106.9-112.3 3.2 -10.5 13.0 -13.3 102 166 A R G >< S+ 0 0 56 -4,-0.9 3,-1.4 1,-0.3 -3,-0.1 0.829 74.6 58.4 -59.2 -34.9 -8.4 12.9 -10.1 103 167 A D G 3 S+ 0 0 74 -4,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.502 93.8 69.3 -76.0 0.2 -11.1 14.3 -7.9 104 168 A Q G < S+ 0 0 45 -3,-2.5 202,-2.3 201,-0.1 2,-0.3 0.473 102.3 42.8 -93.5 -1.4 -13.4 11.3 -8.9 105 169 A A < - 0 0 0 -3,-1.4 200,-0.1 200,-0.3 -1,-0.1 -0.996 63.7-145.9-143.7 144.2 -11.3 8.7 -7.0 106 170 A E S S+ 0 0 73 -2,-0.3 2,-0.3 1,-0.1 -1,-0.2 0.959 87.2 52.8 -66.0 -53.9 -9.5 8.5 -3.6 107 171 A H S >> S- 0 0 98 1,-0.1 4,-1.5 4,-0.0 3,-0.7 -0.659 76.1-134.6-100.7 136.8 -6.6 6.4 -4.8 108 172 A L H 3> S+ 0 0 5 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.862 104.5 64.3 -48.2 -41.6 -4.3 7.1 -7.7 109 173 A K H 3> S+ 0 0 69 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.895 105.4 45.1 -58.2 -37.9 -4.6 3.4 -8.9 110 174 A T H <> S+ 0 0 0 -3,-0.7 4,-2.2 2,-0.2 -1,-0.2 0.900 111.1 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258 176 B V H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.956 108.6 45.1 -63.0 -46.6 -3.1 -18.1 -13.6 259 177 B Q H X S+ 0 0 8 -4,-1.2 4,-2.2 -5,-0.2 -2,-0.2 0.863 112.4 52.7 -65.5 -37.7 -1.9 -15.7 -16.3 260 178 B M H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.929 110.1 48.0 -58.3 -45.4 -0.1 -18.6 -18.0 261 179 B A H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.849 110.6 51.0 -66.6 -38.7 -3.3 -20.5 -18.0 262 180 B V H X S+ 0 0 4 -4,-2.4 4,-2.9 2,-0.2 -1,-0.2 0.910 110.2 50.1 -62.8 -44.3 -5.3 -17.6 -19.4 263 181 B F H X S+ 0 0 35 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.955 113.3 45.4 -56.3 -53.1 -2.8 -17.1 -22.2 264 182 B I H X S+ 0 0 38 -4,-2.4 4,-1.3 1,-0.2 -2,-0.2 0.901 114.1 49.5 -59.1 -46.0 -3.0 -20.8 -23.1 265 183 B H H < S+ 0 0 30 -4,-2.5 7,-0.5 1,-0.2 3,-0.5 0.952 115.2 42.5 -58.4 -51.1 -6.8 -20.8 -22.9 266 184 B N H < S+ 0 0 0 -4,-2.9 7,-2.6 1,-0.2 8,-0.4 0.740 117.4 45.4 -72.0 -24.7 -7.1 -17.7 -25.1 267 185 B K H < S+ 0 0 66 -4,-2.1 2,-0.3 -5,-0.2 -1,-0.2 0.623 84.2 114.1 -91.2 -12.8 -4.5 -18.7 -27.7 268 186 B K < 0 0 113 -4,-1.3 4,-0.5 -3,-0.5 5,-0.1 -0.410 360.0 360.0 -71.4 122.5 -5.6 -22.3 -28.2 269 187 B R 0 0 216 -2,-0.3 -1,-0.2 2,-0.2 -3,-0.0 0.916 360.0 360.0 -75.7 360.0 -7.0 -23.2 -31.6 270 ! 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 0.0 271 195 B S > 0 0 16 0, 0.0 4,-2.1 0, 0.0 -2,-0.2 0.000 360.0 360.0 360.0 150.7 -8.8 -19.3 -30.9 272 196 B A H > + 0 0 3 -4,-0.5 4,-2.3 -7,-0.5 -107,-0.3 0.897 360.0 57.4 -59.6 -39.9 -10.9 -17.4 -28.3 273 197 B G H > S+ 0 0 14 -7,-2.6 4,-1.2 1,-0.2 -1,-0.2 0.864 110.9 43.2 -59.0 -38.9 -8.5 -14.4 -28.6 274 198 B E H > S+ 0 0 56 -8,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.849 110.7 56.2 -70.6 -38.7 -9.2 -14.2 -32.3 275 199 B R H X S+ 0 0 121 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.882 103.8 52.6 -64.7 -40.1 -13.0 -14.7 -31.8 276 200 B I H X S+ 0 0 0 -4,-2.3 4,-3.0 2,-0.2 5,-0.2 0.947 112.2 43.3 -65.5 -45.3 -13.4 -11.8 -29.5 277 201 B V H X S+ 0 0 3 -4,-1.2 4,-3.2 1,-0.2 5,-0.2 0.877 115.6 50.3 -68.8 -34.2 -11.8 -9.2 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298 357 C A H X S+ 0 0 45 -4,-2.0 4,-2.9 1,-0.2 5,-0.3 0.894 110.6 54.0 -61.6 -39.7 -16.6 19.4 -1.4 299 358 C E H X S+ 0 0 25 -4,-2.9 4,-2.0 2,-0.2 -2,-0.2 0.899 110.2 45.7 -60.4 -43.7 -18.8 17.0 0.7 300 359 C I H X S+ 0 0 0 -4,-2.1 4,-1.1 -5,-0.2 -2,-0.2 0.978 116.6 44.1 -64.8 -53.1 -20.8 15.9 -2.3 301 360 C K H < S+ 0 0 66 -4,-2.7 3,-0.5 1,-0.2 4,-0.3 0.894 115.9 46.5 -60.4 -46.3 -17.6 15.4 -4.5 302 361 C N H >< S+ 0 0 77 -4,-2.9 3,-1.4 1,-0.2 -1,-0.2 0.930 110.2 53.3 -63.3 -41.7 -15.6 13.6 -1.8 303 362 C S H 3< S+ 0 0 3 -4,-2.0 7,-2.8 -5,-0.3 -1,-0.2 0.722 107.2 53.4 -68.4 -19.8 -18.5 11.3 -0.8 304 363 C L T 3< + 0 0 22 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.355 68.3 132.4-102.6 5.6 -18.9 10.2 -4.4 305 364 C K X - 0 0 31 -3,-1.4 3,-2.3 3,-0.3 -200,-0.3 -0.427 60.1-134.8 -53.7 124.9 -15.3 9.1 -5.1 306 365 C I T 3 S+ 0 0 6 -202,-2.3 3,-0.4 1,-0.3 -95,-0.2 0.722 98.9 47.8 -73.4 -19.3 -16.0 5.8 -6.6 307 366 C D T 3 S+ 0 0 9 -203,-0.2 -1,-0.3 1,-0.2 -202,-0.1 0.205 123.0 33.6-100.8 10.5 -13.4 3.8 -4.7 308 367 C N S < S- 0 0 94 -3,-2.3 -3,-0.3 -6,-0.1 -1,-0.2 -0.157 84.0-179.7-154.3 54.1 -14.5 5.3 -1.3 309 368 C L + 0 0 31 -3,-0.4 2,-0.2 -5,-0.2 -5,-0.2 -0.279 17.0 178.6 -69.2 138.4 -18.2 5.8 -1.6 310 369 C D > + 0 0 73 -7,-2.8 4,-1.7 1,-0.1 5,-0.2 -0.700 4.9 173.3-135.4 81.9 -20.2 7.3 1.2 311 370 C V H > S+ 0 0 27 -2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.913 78.9 52.8 -53.8 -46.0 -23.8 7.5 -0.1 312 371 C N H > S+ 0 0 122 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.887 107.6 52.1 -63.4 -35.5 -25.2 8.6 3.3 313 372 C R H > S+ 0 0 110 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.866 108.7 50.3 -67.5 -35.0 -22.7 11.4 3.6 314 373 C C H X S+ 0 0 0 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.944 110.4 49.8 -68.6 -42.4 -23.6 12.7 0.1 315 374 C I H X S+ 0 0 24 -4,-2.5 4,-3.2 1,-0.2 5,-0.2 0.898 106.7 55.3 -62.2 -41.1 -27.3 12.6 1.1 316 375 C E H X S+ 0 0 120 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.927 109.1 48.5 -59.2 -40.9 -26.5 14.5 4.3 317 376 C A H X S+ 0 0 1 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.884 112.1 47.4 -65.3 -41.2 -24.9 17.2 2.1 318 377 C L H X S+ 0 0 1 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.888 112.4 50.4 -64.7 -42.6 -27.9 17.3 -0.3 319 378 C D H X S+ 0 0 71 -4,-3.2 4,-1.2 2,-0.2 -2,-0.2 0.913 109.8 50.2 -62.5 -42.3 -30.3 17.5 2.7 320 379 C E H >< S+ 0 0 75 -4,-2.3 3,-0.7 -5,-0.2 4,-0.5 0.949 110.0 50.1 -62.3 -45.5 -28.3 20.4 4.2 321 380 C L H >< S+ 0 0 4 -4,-2.2 3,-1.3 1,-0.2 -1,-0.2 0.889 104.3 60.7 -60.0 -35.0 -28.4 22.2 0.9 322 381 C A H 3< S+ 0 0 42 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.829 101.2 52.7 -61.5 -32.6 -32.2 21.7 0.8 323 382 C S T << S+ 0 0 95 -4,-1.2 -1,-0.3 -3,-0.7 2,-0.2 0.551 90.9 105.8 -85.5 -6.2 -32.8 23.6 4.0 324 383 C L < - 0 0 38 -3,-1.3 2,-0.8 -4,-0.5 -3,-0.0 -0.498 64.5-138.8 -82.1 141.2 -30.8 26.8 2.8 325 384 C Q + 0 0 173 -2,-0.2 2,-0.4 0, 0.0 -2,-0.1 -0.865 34.8 177.3 -91.5 110.1 -32.1 30.2 1.8 326 385 C V - 0 0 14 -2,-0.8 2,-0.0 4,-0.0 -2,-0.0 -0.964 18.8-142.4-123.7 125.7 -29.9 31.0 -1.2 327 386 C T > - 0 0 72 -2,-0.4 4,-2.6 1,-0.1 5,-0.1 -0.299 27.2-111.5 -76.1 169.7 -30.1 34.2 -3.4 328 387 C M H > S+ 0 0 130 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.919 121.2 52.8 -62.3 -47.9 -29.6 34.3 -7.2 329 388 C Q H > S+ 0 0 132 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.899 112.5 45.8 -54.8 -42.5 -26.4 36.4 -6.6 330 389 C Q H >4 S+ 0 0 50 1,-0.2 3,-0.7 2,-0.2 4,-0.3 0.935 113.2 47.7 -68.8 -45.6 -25.2 33.6 -4.2 331 390 C A H >< S+ 0 0 7 -4,-2.6 3,-1.4 1,-0.2 7,-0.2 0.843 105.7 59.3 -65.0 -36.9 -26.2 30.7 -6.5 332 391 C Q H >< S+ 0 0 157 -4,-2.8 3,-0.6 1,-0.3 -1,-0.2 0.744 100.2 56.9 -66.3 -24.1 -24.5 32.4 -9.5 333 392 C K T << S+ 0 0 133 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.564 108.0 50.4 -74.0 -11.1 -21.1 32.4 -7.6 334 393 C H T X> + 0 0 11 -3,-1.4 4,-1.5 -4,-0.3 3,-0.5 -0.222 62.4 136.8-125.8 45.2 -21.4 28.6 -7.2 335 394 C T H <> S+ 0 0 71 -3,-0.6 4,-2.5 1,-0.2 5,-0.2 0.809 70.4 60.9 -64.5 -33.1 -22.1 27.3 -10.8 336 395 C E H 3> S+ 0 0 121 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.893 104.5 50.2 -60.8 -38.1 -19.7 24.4 -10.4 337 396 C M H <> S+ 0 0 3 -3,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.925 110.1 49.8 -64.6 -45.0 -21.7 23.1 -7.5 338 397 C I H X S+ 0 0 30 -4,-1.5 4,-2.5 1,-0.2 -2,-0.2 0.889 109.0 52.5 -62.2 -38.3 -24.9 23.4 -9.6 339 398 C T H X S+ 0 0 93 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.887 107.1 52.6 -62.1 -39.2 -23.1 21.5 -12.4 340 399 C T H X S+ 0 0 17 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.930 109.2 49.2 -63.2 -44.7 -22.3 18.8 -9.9 341 400 C L H X S+ 0 0 0 -4,-2.3 4,-0.8 1,-0.2 -2,-0.2 0.923 109.1 53.4 -54.7 -47.2 -26.0 18.5 -8.9 342 401 C K H < S+ 0 0 106 -4,-2.5 3,-0.4 1,-0.2 -1,-0.2 0.863 110.5 47.3 -58.9 -39.0 -26.9 18.3 -12.6 343 402 C K H >< S+ 0 0 107 -4,-1.8 3,-1.5 1,-0.2 -1,-0.2 0.897 106.1 54.7 -71.3 -41.2 -24.6 15.5 -13.1 344 403 C I H >< S+ 0 0 7 -4,-2.0 3,-2.0 1,-0.3 -1,-0.2 0.581 80.4 90.3 -81.7 -3.1 -25.6 13.3 -10.1 345 404 C R T 3< S+ 0 0 66 -4,-0.8 -1,-0.3 -3,-0.4 -2,-0.1 0.783 95.5 43.0 -52.1 -27.0 -29.3 13.3 -11.2 346 405 C R T < S+ 0 0 194 -3,-1.5 2,-1.7 -4,-0.2 -1,-0.3 0.102 76.0 130.9-107.8 14.8 -28.3 10.2 -13.1 347 406 C F X - 0 0 1 -3,-2.0 3,-1.9 1,-0.2 7,-0.4 -0.550 38.0-172.1 -68.9 85.0 -26.1 8.6 -10.2 348 407 C K T 3 + 0 0 136 -2,-1.7 3,-0.2 1,-0.3 -1,-0.2 0.601 69.0 80.1 -69.1 -12.4 -27.8 5.3 -10.5 349 408 C V T 3 S+ 0 0 25 1,-0.2 2,-0.4 -139,-0.1 -1,-0.3 0.863 106.5 26.4 -55.5 -38.2 -26.1 3.9 -7.4 350 409 C S <> - 0 0 14 -3,-1.9 4,-2.4 1,-0.1 -1,-0.2 -0.945 56.3-168.9-135.8 112.1 -28.7 5.7 -5.3 351 410 C Q H > S+ 0 0 108 -2,-0.4 4,-2.8 -3,-0.2 5,-0.2 0.786 96.1 60.3 -63.7 -29.9 -32.2 6.7 -6.4 352 411 C V H > S+ 0 0 64 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.938 105.9 44.3 -65.8 -45.5 -32.3 8.8 -3.3 353 412 C I H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.913 113.6 52.9 -61.1 -43.1 -29.3 10.9 -4.5 354 413 C M H X S+ 0 0 28 -4,-2.4 4,-2.0 -7,-0.4 -2,-0.2 0.950 111.5 44.6 -56.4 -49.3 -30.9 11.0 -7.9 355 414 C E H X S+ 0 0 145 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.910 116.4 45.6 -63.1 -46.5 -34.2 12.3 -6.5 356 415 C K H X S+ 0 0 66 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.928 114.1 45.8 -66.8 -49.2 -32.7 14.9 -4.2 357 416 C S H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 -1,-0.2 0.846 111.4 54.9 -62.9 -35.1 -30.1 16.3 -6.7 358 417 C T H X S+ 0 0 49 -4,-2.0 4,-2.5 -5,-0.3 -2,-0.2 0.954 110.5 44.9 -59.7 -50.4 -32.9 16.5 -9.3 359 418 C M H X S+ 0 0 91 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.916 115.7 48.0 -61.4 -42.6 -35.1 18.6 -6.9 360 419 C L H X S+ 0 0 2 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.904 110.3 49.5 -67.8 -43.3 -32.1 20.7 -6.0 361 420 C Y H X S+ 0 0 38 -4,-2.7 4,-3.0 1,-0.2 -1,-0.2 0.899 111.6 51.0 -59.5 -47.4 -31.0 21.3 -9.6 362 421 C N H X S+ 0 0 57 -4,-2.5 4,-3.1 2,-0.2 -2,-0.2 0.881 106.9 53.1 -53.1 -45.2 -34.6 22.3 -10.4 363 422 C K H X S+ 0 0 77 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.905 114.3 42.3 -61.3 -42.8 -34.8 24.8 -7.5 364 423 C F H < S+ 0 0 16 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.887 114.4 50.7 -69.9 -42.7 -31.6 26.4 -8.8 365 424 C K H < S+ 0 0 121 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.915 112.5 47.4 -56.2 -47.1 -32.8 26.3 -12.5 366 425 C N H < 0 0 129 -4,-3.1 -2,-0.2 -5,-0.2 -1,-0.2 0.867 360.0 360.0 -66.1 -40.1 -36.1 27.8 -11.5 367 426 C M < 0 0 81 -4,-1.9 -3,-0.2 -5,-0.2 -2,-0.1 0.909 360.0 360.0 -68.9 360.0 -34.4 30.6 -9.5 368 !* 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 0.0 369 345 D G 0 0 104 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 151.1 12.7 -46.9 -9.1 370 346 D S > - 0 0 54 1,-0.1 4,-1.9 0, 0.0 5,-0.2 -0.275 360.0 -96.0 -90.2-178.6 16.5 -47.5 -9.1 371 347 D S H > S+ 0 0 80 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.881 128.7 51.2 -64.9 -38.1 19.2 -45.1 -7.8 372 348 D M H > S+ 0 0 15 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.902 106.0 55.6 -65.5 -39.5 19.6 -43.8 -11.3 373 349 D D H > S+ 0 0 12 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.911 110.7 43.7 -54.6 -46.6 15.9 -43.2 -11.5 374 350 D S H X S+ 0 0 71 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.847 113.1 53.1 -70.9 -29.6 15.9 -41.1 -8.4 375 351 D R H X S+ 0 0 100 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.906 113.0 42.7 -68.5 -42.1 19.0 -39.3 -9.6 376 352 D L H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.821 111.7 54.9 -74.2 -33.1 17.4 -38.4 -12.9 377 353 D Q H X S+ 0 0 111 -4,-2.1 4,-2.6 -5,-0.2 -2,-0.2 0.904 109.4 47.8 -65.1 -39.6 14.2 -37.5 -11.2 378 354 D R H X S+ 0 0 107 -4,-2.0 4,-2.9 2,-0.2 -2,-0.2 0.925 110.4 50.9 -66.5 -42.7 16.0 -35.0 -9.0 379 355 D I H X S+ 0 0 2 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.933 111.5 48.8 -63.2 -41.4 17.9 -33.5 -12.0 380 356 D H H X S+ 0 0 24 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.926 112.2 47.4 -64.6 -47.4 14.6 -33.1 -13.8 381 357 D A H X S+ 0 0 37 -4,-2.6 4,-3.1 2,-0.2 5,-0.3 0.898 110.9 53.2 -55.9 -42.4 12.9 -31.4 -10.8 382 358 D E H X S+ 0 0 26 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.922 110.3 46.8 -60.4 -45.4 16.0 -29.2 -10.4 383 359 D I H X S+ 0 0 0 -4,-2.2 4,-1.1 2,-0.2 -1,-0.2 0.938 115.6 45.5 -61.7 -47.3 15.8 -28.0 -14.0 384 360 D K H < S+ 0 0 54 -4,-2.4 3,-0.3 1,-0.2 -2,-0.2 0.909 115.3 45.9 -66.9 -42.5 12.1 -27.4 -13.8 385 361 D N H >< S+ 0 0 67 -4,-3.1 3,-1.2 1,-0.2 -1,-0.2 0.879 110.7 52.8 -66.2 -40.1 12.3 -25.6 -10.5 386 362 D S H 3< S+ 0 0 2 -4,-2.4 7,-3.2 -5,-0.3 -1,-0.2 0.711 108.0 53.9 -65.6 -25.4 15.3 -23.4 -11.6 387 363 D L T 3< + 0 0 17 -4,-1.1 -1,-0.2 -3,-0.3 -2,-0.2 0.329 68.5 133.7 -98.9 10.4 13.3 -22.3 -14.7 388 364 D K X - 0 0 34 -3,-1.2 3,-1.8 3,-0.4 -137,-0.3 -0.446 56.3-140.2 -61.4 124.0 10.2 -21.0 -12.9 389 365 D I T 3 S+ 0 0 6 -139,-1.7 3,-0.4 1,-0.3 -315,-0.2 0.725 97.8 49.3 -73.6 -19.4 9.8 -17.8 -14.8 390 366 D D T 3 S+ 0 0 15 1,-0.2 -1,-0.3 -140,-0.2 -139,-0.1 0.243 124.1 30.9 -99.3 8.4 8.8 -15.8 -11.7 391 367 D N S < S- 0 0 94 -3,-1.8 -3,-0.4 -6,-0.1 -1,-0.2 -0.248 85.5-176.2-156.3 56.4 11.8 -17.2 -9.7 392 368 D L + 0 0 28 -3,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.363 14.9 177.6 -66.2 133.1 14.5 -17.8 -12.3 393 369 D D > + 0 0 72 -7,-3.2 4,-1.6 1,-0.1 3,-0.3 -0.723 4.7 173.8-132.3 81.6 17.7 -19.4 -11.1 394 370 D V H > S+ 0 0 32 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 0.901 77.0 50.4 -58.6 -42.5 19.7 -19.7 -14.3 395 371 D N H > S+ 0 0 121 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.840 106.3 55.1 -70.4 -29.1 22.9 -21.0 -12.7 396 372 D R H > S+ 0 0 107 -3,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.889 107.7 51.3 -66.7 -37.8 21.1 -23.6 -10.7 397 373 D C H X S+ 0 0 0 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.943 109.8 48.7 -63.6 -45.8 19.7 -25.0 -14.0 398 374 D I H X S+ 0 0 20 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.882 106.5 57.7 -61.5 -38.2 23.2 -25.1 -15.5 399 375 D E H X S+ 0 0 114 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.922 108.9 45.5 -57.4 -44.2 24.4 -26.9 -12.3 400 376 D A H X S+ 0 0 0 -4,-1.8 4,-2.7 1,-0.2 -1,-0.2 0.850 111.7 50.7 -69.8 -35.9 21.8 -29.6 -13.0 401 377 D L H X S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.866 109.9 50.5 -70.4 -35.3 22.7 -29.8 -16.7 402 378 D D H X S+ 0 0 75 -4,-2.7 4,-1.2 2,-0.2 -2,-0.2 0.895 110.2 51.3 -65.1 -41.4 26.4 -30.2 -15.8 403 379 D E H >X S+ 0 0 66 -4,-2.2 3,-1.0 1,-0.2 4,-0.5 0.971 110.6 47.9 -54.4 -56.1 25.4 -33.0 -13.3 404 380 D L H >< S+ 0 0 0 -4,-2.7 3,-0.9 1,-0.3 -1,-0.2 0.853 109.2 54.4 -54.0 -36.5 23.5 -34.7 -16.1 405 381 D A H 3< S+ 0 0 34 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.764 104.4 53.5 -75.3 -20.6 26.4 -34.3 -18.5 406 382 D S H << S+ 0 0 92 -4,-1.2 2,-0.4 -3,-1.0 -1,-0.2 0.505 94.6 95.3 -90.4 -1.7 28.8 -36.0 -16.0 407 383 D L S << S- 0 0 32 -3,-0.9 2,-1.1 -4,-0.5 -3,-0.0 -0.718 72.0-136.0 -95.2 135.5 26.5 -39.1 -15.8 408 384 D Q - 0 0 166 -2,-0.4 2,-0.5 0, 0.0 -3,-0.1 -0.755 32.0-177.2 -86.3 98.8 26.8 -42.3 -17.7 409 385 D V - 0 0 14 -2,-1.1 2,-0.1 -5,-0.1 -2,-0.0 -0.877 14.1-143.5-100.2 130.0 23.1 -42.8 -18.6 410 386 D T > - 0 0 75 -2,-0.5 4,-2.2 1,-0.1 5,-0.1 -0.326 26.3-107.0 -81.3 170.3 22.3 -46.0 -20.5 411 387 D M H > S+ 0 0 129 2,-0.2 4,-2.0 1,-0.2 -1,-0.1 0.922 120.7 50.5 -59.5 -46.7 19.6 -46.3 -23.3 412 388 D Q H > S+ 0 0 178 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.923 111.5 47.2 -60.9 -47.2 17.3 -48.3 -20.9 413 389 D Q H 4 S+ 0 0 53 1,-0.2 3,-0.3 2,-0.2 -1,-0.2 0.901 112.0 51.0 -57.9 -45.1 17.6 -45.7 -18.1 414 390 D A H >< S+ 0 0 7 -4,-2.2 3,-1.6 1,-0.2 -1,-0.2 0.844 101.5 62.3 -60.6 -37.5 17.0 -42.9 -20.6 415 391 D Q H >< S+ 0 0 148 -4,-2.0 3,-0.6 1,-0.3 -1,-0.2 0.855 101.7 50.9 -59.9 -38.9 13.8 -44.7 -22.0 416 392 D K T 3< S+ 0 0 120 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.447 107.3 57.5 -76.4 -2.2 12.1 -44.4 -18.5 417 393 D H T <> + 0 0 8 -3,-1.6 4,-1.4 -4,-0.2 -1,-0.2 -0.206 59.3 133.0-124.5 47.7 12.9 -40.6 -18.4 418 394 D T H <> S+ 0 0 62 -3,-0.6 4,-2.5 1,-0.2 5,-0.2 0.856 70.2 59.2 -66.3 -36.6 11.3 -39.3 -21.6 419 395 D E H > S+ 0 0 121 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.929 106.1 49.9 -58.0 -43.9 9.6 -36.4 -19.8 420 396 D M H > S+ 0 0 2 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.857 109.7 50.1 -58.9 -39.7 13.1 -35.2 -18.8 421 397 D I H X S+ 0 0 28 -4,-1.4 4,-2.6 2,-0.2 -2,-0.2 0.889 108.0 53.4 -68.6 -40.0 14.3 -35.5 -22.4 422 398 D T H X S+ 0 0 89 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.858 106.7 53.2 -56.9 -41.0 11.3 -33.5 -23.5 423 399 D T H X S+ 0 0 25 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.933 107.3 50.6 -63.2 -42.7 12.3 -30.8 -21.0 424 400 D L H X S+ 0 0 0 -4,-1.8 4,-0.8 1,-0.2 -2,-0.2 0.941 110.2 51.3 -59.8 -46.6 15.8 -30.8 -22.6 425 401 D K H >< S+ 0 0 92 -4,-2.6 3,-1.0 1,-0.2 4,-0.3 0.919 109.3 49.6 -50.3 -55.6 14.2 -30.4 -26.0 426 402 D K H >< S+ 0 0 95 -4,-2.4 3,-0.9 1,-0.2 -1,-0.2 0.870 108.8 51.7 -55.9 -41.2 12.1 -27.5 -24.9 427 403 D I H >< S+ 0 0 6 -4,-1.9 3,-2.2 1,-0.2 -1,-0.2 0.541 80.6 89.5 -86.1 -2.0 14.9 -25.5 -23.3 428 404 D R T << S+ 0 0 56 -3,-1.0 -1,-0.2 -4,-0.8 -2,-0.1 0.819 96.8 43.7 -56.5 -28.9 17.3 -25.6 -26.3 429 405 D R T < S+ 0 0 121 -3,-0.9 2,-1.5 -4,-0.3 -1,-0.3 0.029 75.0 131.5-107.2 28.8 15.6 -22.4 -27.3 430 406 D F X - 0 0 0 -3,-2.2 3,-2.0 1,-0.2 7,-0.4 -0.652 38.8-170.9 -78.8 87.6 15.6 -20.8 -23.8 431 407 D K T 3 S+ 0 0 150 -2,-1.5 3,-0.2 1,-0.3 -1,-0.2 0.658 70.4 78.3 -67.5 -17.4 17.0 -17.5 -25.1 432 408 D V T 3 S+ 0 0 25 1,-0.2 2,-0.4 -360,-0.1 -1,-0.3 0.790 103.8 33.2 -58.7 -28.5 17.5 -16.1 -21.7 433 409 D S <> - 0 0 13 -3,-2.0 4,-2.4 1,-0.1 -1,-0.2 -0.913 56.0-170.4-141.2 108.0 20.7 -18.2 -21.4 434 410 D Q H > S+ 0 0 141 -2,-0.4 4,-2.7 2,-0.2 5,-0.2 0.860 96.2 55.2 -53.0 -41.7 23.0 -19.1 -24.3 435 411 D V H > S+ 0 0 60 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.923 107.7 47.3 -64.5 -44.7 24.8 -21.5 -21.9 436 412 D I H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.943 113.3 49.6 -60.2 -46.2 21.5 -23.3 -21.1 437 413 D M H X S+ 0 0 51 -4,-2.4 4,-1.8 -7,-0.4 -2,-0.2 0.922 113.5 46.3 -55.1 -48.7 20.7 -23.5 -24.8 438 414 D E H X S+ 0 0 107 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.939 117.0 41.8 -60.6 -52.0 24.1 -24.9 -25.7 439 415 D K H X S+ 0 0 58 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.889 115.2 49.1 -67.6 -42.3 24.2 -27.6 -22.8 440 416 D S H X S+ 0 0 0 -4,-2.7 4,-3.2 -5,-0.3 5,-0.2 0.854 111.5 50.5 -66.3 -33.1 20.6 -28.7 -23.3 441 417 D T H X S+ 0 0 48 -4,-1.8 4,-2.7 -5,-0.3 5,-0.2 0.948 112.1 47.1 -65.6 -48.5 21.2 -29.0 -27.1 442 418 D M H X S+ 0 0 82 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.861 117.1 44.5 -59.4 -38.7 24.3 -31.1 -26.4 443 419 D L H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.946 113.3 47.5 -75.1 -48.3 22.4 -33.2 -23.9 444 420 D Y H X S+ 0 0 32 -4,-3.2 4,-2.4 2,-0.2 5,-0.2 0.931 113.9 48.8 -58.0 -44.7 19.2 -33.7 -26.0 445 421 D N H X S+ 0 0 63 -4,-2.7 4,-2.8 1,-0.2 5,-0.3 0.942 109.4 53.4 -56.7 -54.5 21.4 -34.7 -29.1 446 422 D K H X S+ 0 0 73 -4,-1.9 4,-0.6 -5,-0.2 -1,-0.2 0.837 113.5 42.5 -43.2 -45.5 23.3 -37.1 -26.9 447 423 D F H < S+ 0 0 14 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.808 115.3 46.5 -82.4 -35.1 20.1 -38.8 -25.7 448 424 D K H < S+ 0 0 120 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.868 113.9 48.9 -71.3 -40.6 18.3 -39.0 -29.0 449 425 D N H < 0 0 129 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.697 360.0 360.0 -72.4 -22.4 21.4 -40.3 -30.9 450 426 D M < 0 0 72 -4,-0.6 -1,-0.2 -5,-0.3 -2,-0.2 0.944 360.0 360.0 -61.6 360.0 21.7 -42.9 -28.1