==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 25-FEB-10 3LXU . COMPND 2 MOLECULE: TRIPEPTIDYL-PEPTIDASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: DROSOPHILA MELANOGASTER; . AUTHOR C.K.CHUANG . 1217 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 56901.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 812 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 3.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 216 17.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 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 . 1 0.1 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 . 139 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 119 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 240 19.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 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 4 2 2 0 0 2 1 3 0 1 4 0 2 1 1 1 0 0 0 0 0 0 0 0 0 1 0 RESIDUES PER ALPHA HELIX . 2 0 2 4 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 . 4 5 6 5 2 6 3 1 4 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 2 6 0 0 1 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 18 X K 0 0 156 0, 0.0 249,-0.1 0, 0.0 248,-0.1 0.000 360.0 360.0 360.0 173.6 43.4 -24.9 -28.3 2 19 X A > + 0 0 42 247,-0.1 3,-0.7 1,-0.1 4,-0.3 0.716 360.0 137.4 60.9 20.3 39.9 -26.0 -27.4 3 20 X E T 3> + 0 0 31 1,-0.2 4,-1.3 2,-0.1 3,-0.2 0.486 43.9 78.4 -81.5 -2.6 39.2 -24.9 -30.9 4 21 X T T 34 S+ 0 0 84 1,-0.2 -1,-0.2 2,-0.2 4,-0.2 0.837 77.9 66.6 -82.7 -35.2 36.9 -27.9 -31.8 5 22 X G T <4 S+ 0 0 46 -3,-0.7 -1,-0.2 1,-0.2 -2,-0.1 0.828 112.7 33.0 -55.8 -36.6 33.7 -26.8 -30.1 6 23 X V T 4 S- 0 0 2 1,-0.4 449,-2.4 -4,-0.3 450,-0.4 0.775 137.5 -48.8 -92.0 -31.5 33.2 -23.9 -32.5 7 24 X L < + 0 0 9 -4,-1.3 -1,-0.4 447,-0.2 -2,-0.1 -0.702 46.6 166.5 167.9 147.7 34.8 -25.6 -35.5 8 25 X N S S+ 0 0 49 -2,-0.2 -4,-0.1 -4,-0.2 -3,-0.1 0.056 85.7 66.1-145.0 11.1 37.9 -27.6 -36.5 9 26 X F S > S+ 0 0 112 -5,-0.1 3,-1.4 2,-0.1 -2,-0.1 0.557 79.4 69.4-118.5 -17.6 36.2 -28.6 -39.8 10 27 X L G > S+ 0 0 0 1,-0.3 3,-1.7 2,-0.2 6,-0.2 0.719 87.1 74.9 -70.4 -20.6 35.8 -25.4 -41.7 11 28 X Q G 3 S+ 0 0 23 1,-0.3 -1,-0.3 3,-0.1 -2,-0.1 0.544 71.0 83.5 -65.1 -6.2 39.6 -25.8 -41.8 12 29 X K G < S+ 0 0 113 -3,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.260 81.0 63.4 -80.6 9.5 38.6 -28.4 -44.4 13 30 X Y S X S+ 0 0 85 -3,-1.7 3,-2.3 3,-0.1 -1,-0.3 -0.649 80.3 173.6-112.8 65.1 38.6 -25.3 -46.4 14 31 X P T 3 + 0 0 64 0, 0.0 3,-0.4 0, 0.0 -2,-0.1 0.696 67.5 67.1 -53.6 -24.8 42.3 -25.2 -45.6 15 32 X E T 3 S+ 0 0 136 1,-0.3 4,-0.2 2,-0.1 3,-0.2 0.313 85.6 75.5 -78.9 10.0 42.9 -22.2 -47.9 16 33 X Y < + 0 0 25 -3,-2.3 -1,-0.3 -6,-0.2 399,-0.2 -0.322 54.2 130.3-112.7 46.0 40.8 -20.2 -45.5 17 34 X D S S- 0 0 40 -3,-0.4 239,-1.7 398,-0.1 240,-0.5 0.593 95.6 -71.3 -76.7 -12.1 43.6 -19.9 -42.9 18 35 X G S > S+ 0 0 0 238,-0.3 3,-0.5 -3,-0.2 240,-0.2 0.552 76.7 170.7 122.7 29.4 43.1 -16.1 -42.6 19 36 X R T 3 + 0 0 21 -4,-0.2 238,-0.1 1,-0.2 400,-0.1 -0.284 60.8 7.3 -70.1 155.0 44.5 -15.0 -45.9 20 37 X D T 3 S+ 0 0 134 236,-0.1 2,-0.3 1,-0.1 -1,-0.2 0.865 105.8 105.7 37.6 57.9 44.2 -11.4 -47.1 21 38 X V < - 0 0 6 -3,-0.5 237,-2.1 235,-0.3 2,-0.4 -0.907 50.3-159.9-163.5 135.4 42.7 -10.1 -43.8 22 39 X T E -a 258 0A 18 272,-0.3 274,-1.4 -2,-0.3 275,-1.0 -0.972 10.4-150.0-124.1 126.5 44.1 -8.1 -40.9 23 40 X I E -ab 259 297A 0 235,-2.9 237,-1.0 -2,-0.4 2,-0.5 -0.566 10.4-136.6 -89.6 155.1 42.6 -8.0 -37.4 24 41 X A E -ab 260 298A 0 273,-2.8 275,-1.9 -2,-0.2 2,-0.8 -0.957 10.4-155.9-113.4 129.7 42.7 -5.0 -35.0 25 42 X I E -ab 261 299A 0 235,-1.7 237,-2.5 -2,-0.5 2,-0.9 -0.816 7.8-173.4-111.8 93.6 43.6 -5.6 -31.4 26 43 X F E +ab 262 300A 0 273,-0.8 275,-0.7 -2,-0.8 2,-0.2 -0.766 48.7 97.0 -79.9 107.6 42.3 -2.9 -29.1 27 44 X D E S-a 263 0A 0 235,-1.0 237,-2.0 -2,-0.9 238,-0.7 -0.793 92.1 -50.1-165.2-157.9 43.9 -3.9 -25.8 28 45 X S S S- 0 0 4 1,-0.3 235,-0.2 -2,-0.2 207,-0.1 0.099 96.1 -87.5 -86.7 22.9 46.8 -3.5 -23.4 29 46 X G - 0 0 0 -4,-0.2 -1,-0.3 205,-0.1 2,-0.2 0.122 43.9-111.9 87.2 155.7 49.2 -3.8 -26.3 30 47 X V - 0 0 0 204,-0.1 205,-0.2 -3,-0.1 233,-0.1 -0.660 10.8-128.7-119.3 174.3 50.8 -6.9 -27.9 31 48 X D > - 0 0 19 -2,-0.2 3,-1.0 1,-0.1 6,-0.3 -0.899 14.0-173.8-130.0 103.0 54.2 -8.4 -28.1 32 49 X P T 3 S+ 0 0 22 0, 0.0 5,-0.2 0, 0.0 -1,-0.1 0.906 85.0 60.1 -60.3 -45.1 55.4 -9.4 -31.7 33 50 X R T 3 S+ 0 0 100 2,-0.1 5,-0.1 3,-0.1 3,-0.1 0.700 82.1 108.2 -59.4 -21.2 58.6 -11.1 -30.4 34 51 X A S X S- 0 0 26 -3,-1.0 3,-2.0 1,-0.1 4,-0.3 -0.348 90.1 -91.5 -63.0 135.3 56.5 -13.5 -28.4 35 52 X T T 3 S+ 0 0 106 1,-0.2 -1,-0.1 2,-0.1 -2,-0.1 -0.246 113.5 28.5 -52.7 114.9 56.5 -17.0 -29.8 36 53 X G T 3 S+ 0 0 3 208,-0.2 208,-1.0 -4,-0.1 -1,-0.2 -0.173 110.5 62.9 127.9 -40.0 53.5 -17.3 -32.1 37 54 X L S < S+ 0 0 2 -3,-2.0 11,-0.7 -6,-0.3 10,-0.4 0.210 75.5 98.5 -98.7 13.7 53.1 -13.7 -33.4 38 55 X E S S- 0 0 106 -4,-0.3 9,-0.4 1,-0.2 2,-0.3 0.932 96.5 -11.9 -68.9 -48.9 56.6 -13.8 -35.0 39 56 X T - 0 0 45 205,-0.3 205,-0.4 -3,-0.2 -1,-0.2 -0.979 69.4-109.8-147.8 158.0 55.3 -14.5 -38.5 40 57 X L > - 0 0 10 5,-1.9 3,-2.9 -2,-0.3 4,-0.2 -0.282 55.9 -80.8 -78.9 176.3 52.2 -15.6 -40.3 41 58 X C T 3 S+ 0 0 47 214,-0.6 215,-0.1 1,-0.3 -1,-0.1 0.716 121.0 83.0 -54.0 -22.6 51.8 -19.0 -41.9 42 59 X D T 3 S- 0 0 99 1,-0.2 -1,-0.3 214,-0.1 4,-0.1 0.701 95.6-139.5 -53.0 -17.5 53.7 -17.7 -44.9 43 60 X G S < S+ 0 0 54 -3,-2.9 -1,-0.2 2,-0.2 -2,-0.1 0.554 90.7 48.7 68.0 7.5 56.7 -18.6 -42.6 44 61 X K S S+ 0 0 75 -4,-0.2 -1,-0.1 1,-0.1 2,-0.1 0.537 84.5 87.5-141.3 -44.4 58.2 -15.3 -43.8 45 62 X T S S- 0 0 57 -5,-0.1 -5,-1.9 1,-0.1 2,-0.3 -0.383 77.5-114.1 -72.0 144.2 55.8 -12.4 -43.6 46 63 X V - 0 0 56 -7,-0.2 -7,-0.2 1,-0.1 3,-0.2 -0.618 22.2-162.1 -79.7 134.3 55.6 -10.4 -40.4 47 64 X K S S+ 0 0 0 -9,-0.4 2,-2.7 -10,-0.4 212,-1.2 0.926 79.0 65.3 -85.4 -49.3 52.2 -10.7 -38.7 48 65 X V + 0 0 0 -11,-0.7 -1,-0.2 1,-0.2 212,-0.2 -0.400 65.7 172.3 -74.9 68.3 52.1 -7.7 -36.3 49 66 X I + 0 0 25 -2,-2.7 2,-0.3 210,-0.5 -1,-0.2 0.792 61.7 6.9 -52.5 -36.8 52.1 -5.3 -39.3 50 67 X E E -c 260 0A 6 209,-0.9 211,-1.1 -3,-0.2 2,-0.2 -0.900 58.7-171.6-139.1 168.5 51.5 -2.2 -37.1 51 68 X R E +c 261 0A 7 -2,-0.3 2,-0.2 209,-0.2 211,-0.2 -0.737 10.6 173.3-167.5 121.4 51.3 -1.2 -33.4 52 69 X Y E -c 262 0A 22 209,-2.2 211,-2.0 -2,-0.2 2,-0.3 -0.696 31.0-139.1-120.6 170.2 50.3 2.1 -31.7 53 70 X D E > +c 263 0A 9 -2,-0.2 3,-1.4 209,-0.2 5,-0.4 -0.779 23.2 179.6-128.7 86.9 49.6 3.5 -28.3 54 71 X C T 3 + 0 0 9 209,-1.0 226,-0.2 -2,-0.3 210,-0.2 0.508 64.5 82.4 -72.4 -5.1 46.6 5.6 -28.8 55 72 X S T 3 S- 0 0 2 208,-0.7 -1,-0.3 210,-0.3 222,-0.2 0.774 95.4-128.2 -70.1 -26.2 46.3 6.8 -25.2 56 73 X G S X S+ 0 0 1 -3,-1.4 3,-1.1 220,-0.1 -2,-0.1 0.428 77.9 119.7 88.0 1.8 48.9 9.5 -25.7 57 74 X C T 3 S+ 0 0 3 1,-0.2 45,-0.1 208,-0.2 44,-0.1 0.692 70.5 51.3 -71.9 -20.2 50.7 8.1 -22.7 58 75 X G T 3 S+ 0 0 1 -5,-0.4 168,-2.0 43,-0.1 -1,-0.2 0.284 82.3 128.0-102.0 9.9 53.8 7.4 -24.8 59 76 X D E < -I 225 0B 16 -3,-1.1 2,-0.3 166,-0.2 166,-0.2 -0.286 37.8-166.4 -68.6 151.0 54.2 10.8 -26.3 60 77 X V E -I 224 0B 3 164,-0.7 164,-1.9 1159,-0.1 2,-1.5 -0.997 23.8-124.9-138.8 136.5 57.4 12.8 -26.2 61 78 X D E > +I 223 0B 45 -2,-0.3 2,-1.6 35,-0.3 3,-0.6 -0.595 29.9 173.5 -88.1 83.6 57.8 16.5 -27.0 62 79 X X T 3 + 0 0 0 -2,-1.5 33,-0.1 160,-0.8 -1,-0.1 -0.252 40.7 120.7 -79.9 49.6 60.5 16.6 -29.7 63 80 X K T 3 + 0 0 53 -2,-1.6 2,-0.8 31,-0.2 -1,-0.2 0.727 46.0 84.7 -89.0 -23.5 59.9 20.3 -30.1 64 81 X K E < -L 94 0C 126 30,-0.8 30,-1.5 -3,-0.6 2,-0.3 -0.726 61.1-163.7 -91.1 109.2 63.4 21.6 -29.2 65 82 X K E +L 93 0C 79 -2,-0.8 2,-0.3 28,-0.2 28,-0.2 -0.707 11.3 174.9 -87.5 138.3 65.8 21.6 -32.2 66 83 X V - 0 0 34 26,-2.8 -2,-0.0 -2,-0.3 0, 0.0 -0.946 28.4-125.6-146.2 124.1 69.5 21.9 -31.5 67 84 X T - 0 0 61 -2,-0.3 2,-2.7 24,-0.2 24,-0.2 -0.424 29.8-113.1 -68.8 139.8 72.4 21.7 -34.1 68 85 X P > + 0 0 21 0, 0.0 3,-0.9 0, 0.0 -1,-0.1 -0.108 63.5 144.3 -68.3 42.8 75.1 19.2 -33.3 69 86 X D T 3 + 0 0 109 -2,-2.7 3,-0.4 1,-0.3 -2,-0.1 0.229 23.3 129.8 -66.4 17.2 77.6 22.0 -32.8 70 87 X E T 3 S- 0 0 89 1,-0.3 2,-0.3 2,-0.1 -1,-0.3 0.893 92.4 -5.0 -36.3 -50.3 78.9 19.5 -30.1 71 88 X N < 0 0 139 -3,-0.9 -1,-0.3 0, 0.0 8,-0.0 -0.883 360.0 360.0-150.3 125.7 82.1 20.3 -31.9 72 89 X G 0 0 92 -3,-0.4 -3,-0.2 -2,-0.3 -2,-0.1 -0.122 360.0 360.0 104.2 360.0 82.3 22.5 -35.0 73 ! 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 74 113 X E 0 0 68 0, 0.0 22,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0-112.0 68.2 17.4 -22.6 75 114 X K + 0 0 64 1,-0.6 21,-0.0 2,-0.2 92,-0.0 -0.018 360.0 40.3-160.0 -60.9 70.0 17.8 -19.2 76 115 X A S S- 0 0 65 1,-0.2 -1,-0.6 109,-0.0 110,-0.1 0.119 100.2 -50.8 -78.1-155.7 73.4 16.2 -19.2 77 116 X V - 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0 0 151 1,-0.1 3,-3.2 -2,-0.1 4,-1.7 -0.710 48.7-125.1 -71.8 123.8 71.5 49.9 -7.7 990 1123 X L H 3> S+ 0 0 32 -2,-0.5 4,-1.8 1,-0.3 -1,-0.1 0.675 109.4 61.6 -54.6 -19.0 73.7 49.2 -4.7 991 1124 X E H 3> S+ 0 0 156 2,-0.2 4,-0.5 1,-0.2 -1,-0.3 0.786 109.2 41.9 -75.3 -27.2 75.9 52.2 -5.6 992 1125 X X H <> S+ 0 0 95 -3,-3.2 4,-2.2 2,-0.2 -2,-0.2 0.808 112.6 54.9 -82.1 -34.6 72.8 54.4 -5.1 993 1126 X A H X S+ 0 0 0 -4,-1.7 4,-3.4 1,-0.2 5,-0.3 0.852 98.7 60.0 -69.2 -36.8 71.7 52.6 -2.0 994 1127 X E H X S+ 0 0 96 -4,-1.8 4,-1.3 -5,-0.2 -1,-0.2 0.865 109.4 45.9 -60.9 -34.6 75.1 53.1 -0.2 995 1128 X K H >X S+ 0 0 147 -4,-0.5 4,-1.7 2,-0.2 3,-0.7 0.987 114.2 45.6 -66.7 -62.5 74.4 56.8 -0.5 996 1129 X I H >X S+ 0 0 25 -4,-2.2 4,-2.1 1,-0.3 3,-0.6 0.929 110.0 55.4 -43.5 -58.5 70.8 56.6 0.6 997 1130 X Y H 3X S+ 0 0 17 -4,-3.4 4,-2.4 1,-0.3 -1,-0.3 0.852 104.5 54.5 -45.4 -43.8 71.7 54.4 3.5 998 1131 X N H < + 0 0 42 -4,-3.8 3,-1.2 -5,-0.2 -1,-0.2 -0.631 68.4 169.6-124.3 73.2 68.1 58.2 12.3 1005 1138 X P T 3 S+ 0 0 93 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.881 78.0 50.8 -50.3 -52.3 71.1 56.6 14.1 1006 1139 X K T 3 S+ 0 0 123 1,-0.1 2,-1.9 2,-0.1 3,-0.2 0.706 82.6 103.0 -64.5 -19.2 69.1 54.2 16.3 1007 1140 X H X + 0 0 40 -3,-1.2 3,-0.8 1,-0.2 4,-0.2 -0.449 44.2 168.2 -67.2 86.2 67.3 53.0 13.2 1008 1141 X L T >> + 0 0 15 -2,-1.9 3,-2.6 1,-0.2 4,-0.9 0.807 59.7 80.1 -73.1 -31.6 69.2 49.8 12.9 1009 1142 X Q H 3> S+ 0 0 47 1,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.747 81.7 68.8 -48.2 -27.3 66.8 48.3 10.3 1010 1143 X A H <> S+ 0 0 0 -3,-0.8 4,-1.8 1,-0.2 -1,-0.3 0.831 95.5 54.9 -63.0 -33.4 68.6 50.4 7.7 1011 1144 X N H <> S+ 0 0 7 -3,-2.6 4,-1.9 -4,-0.2 -1,-0.2 0.961 106.9 47.6 -62.5 -54.2 71.7 48.2 8.2 1012 1145 X L H X S+ 0 0 1 -4,-0.9 4,-2.3 1,-0.2 -2,-0.2 0.860 110.3 54.4 -56.0 -38.5 69.9 44.9 7.4 1013 1146 X L H X S+ 0 0 26 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.911 105.1 50.5 -66.7 -44.0 68.3 46.5 4.3 1014 1147 X L H X S+ 0 0 2 -4,-1.8 4,-3.2 1,-0.2 -1,-0.2 0.916 109.8 54.6 -58.6 -41.4 71.6 47.6 2.8 1015 1148 X I H X S+ 0 0 0 -4,-1.9 4,-2.9 1,-0.2 5,-0.2 0.961 103.8 51.5 -54.7 -57.8 72.8 44.0 3.4 1016 1149 X Q H < S+ 0 0 63 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.846 114.8 46.1 -49.0 -37.3 69.8 42.4 1.5 1017 1150 X N H >X S+ 0 0 0 -4,-1.7 3,-2.0 2,-0.2 4,-1.6 0.951 110.9 49.2 -71.1 -52.3 70.7 44.7 -1.4 1018 1151 X I H 3X S+ 0 0 6 -4,-3.2 4,-1.2 1,-0.3 5,-0.5 0.863 113.3 48.5 -54.7 -38.1 74.5 44.1 -1.3 1019 1152 X E H 3< S+ 0 0 52 -4,-2.9 -1,-0.3 -5,-0.2 -2,-0.2 0.371 111.6 50.8 -87.8 5.5 73.8 40.4 -1.3 1020 1153 X S H <4 S+ 0 0 90 -3,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.604 116.1 36.8-112.1 -21.7 71.4 40.7 -4.2 1021 1154 X N H < S+ 0 0 68 -4,-1.6 -2,-0.2 -3,-0.2 -3,-0.1 0.618 129.1 28.2-101.7 -18.8 73.5 42.7 -6.6 1022 1155 X Q S < S+ 0 0 80 -4,-1.2 2,-0.4 -5,-0.3 -3,-0.2 0.791 114.4 39.6-116.0 -43.8 76.9 41.1 -5.8 1023 1156 X L S S- 0 0 17 -5,-0.5 -1,-0.3 30,-0.1 2,-0.1 -0.951 70.4-124.1-126.5 135.5 76.6 37.5 -4.6 1024 1157 X K - 0 0 143 -2,-0.4 2,-1.1 1,-0.1 -4,-0.1 -0.400 32.1-112.2 -70.4 146.0 74.4 34.6 -5.7 1025 1158 X S + 0 0 106 -2,-0.1 2,-0.3 -5,-0.1 -1,-0.1 -0.697 56.7 151.5 -83.6 99.0 72.3 32.9 -3.0 1026 1159 X Q - 0 0 34 -2,-1.1 5,-0.0 2,-0.0 159,-0.0 -0.973 42.0-114.8-134.3 148.7 73.9 29.4 -2.6 1027 1160 X L > - 0 0 17 -2,-0.3 4,-2.7 158,-0.1 5,-0.3 -0.324 45.4 -86.1 -79.5 161.2 74.2 26.9 0.2 1028 1161 X P H >> S+ 0 0 1 0, 0.0 4,-2.3 0, 0.0 3,-0.6 0.791 122.8 31.2 -31.2 -78.9 77.5 25.8 1.8 1029 1162 X L H 3> S+ 0 0 7 1,-0.3 4,-3.2 2,-0.2 5,-0.3 0.886 119.1 54.1 -55.8 -44.8 78.7 23.0 -0.5 1030 1163 X T H 3> S+ 0 0 28 1,-0.2 4,-1.0 2,-0.2 -1,-0.3 0.847 110.5 48.8 -58.5 -34.0 77.1 24.5 -3.6 1031 1164 X F H << S+ 0 0 0 -4,-2.7 -2,-0.2 -3,-0.6 -1,-0.2 0.931 114.5 44.4 -68.5 -48.0 79.0 27.6 -2.8 1032 1165 X V H >< S+ 0 0 29 -4,-2.3 3,-2.3 -5,-0.3 -2,-0.2 0.970 112.2 49.4 -61.3 -58.3 82.3 25.8 -2.3 1033 1166 X N H >< S+ 0 0 81 -4,-3.2 3,-0.6 1,-0.3 -1,-0.2 0.818 106.3 60.5 -50.5 -32.5 82.0 23.5 -5.3 1034 1167 X A T 3< S+ 0 0 51 -4,-1.0 -1,-0.3 -5,-0.3 -2,-0.2 0.196 87.7 74.6 -86.6 16.6 81.2 26.7 -7.4 1035 1168 X Q T < S+ 0 0 36 -3,-2.3 2,-0.3 15,-0.0 -1,-0.2 -0.114 87.0 77.2-115.2 34.1 84.6 28.2 -6.5 1036 1169 X K S < S- 0 0 125 -3,-0.6 0, 0.0 0, 0.0 0, 0.0 -0.996 91.5 -27.8-147.3 148.2 86.6 26.0 -8.8 1037 1170 X T + 0 0 121 -2,-0.3 -3,-0.0 1,-0.1 0, 0.0 -0.220 55.0 144.3 54.5-125.7 87.5 25.6 -12.5 1038 1171 X S + 0 0 61 1,-0.1 3,-0.4 2,-0.1 -1,-0.1 0.982 23.5 177.0 48.4 73.9 84.9 26.9 -15.0 1039 1172 X P + 0 0 97 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.405 45.5 104.9 -87.1 -2.2 87.4 28.2 -17.6 1040 1173 X P S S+ 0 0 123 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 0.906 85.2 44.1 -47.5 -48.2 85.0 29.3 -20.4 1041 1174 X E S S- 0 0 99 -3,-0.4 2,-0.2 1,-0.2 5,-0.0 0.301 115.2 -50.1 -74.1-152.7 85.6 33.0 -19.4 1042 1175 X A > - 0 0 48 1,-0.1 4,-0.7 2,-0.0 -1,-0.2 -0.589 30.2-139.5 -89.5 147.8 89.0 34.5 -18.6 1043 1176 X G T 4 S+ 0 0 71 -2,-0.2 -1,-0.1 2,-0.2 -2,-0.0 0.662 112.3 42.9 -72.8 -16.8 91.6 33.0 -16.2 1044 1177 X E T >> S+ 0 0 151 2,-0.1 3,-2.5 1,-0.1 4,-1.0 0.857 106.1 57.1 -91.7 -48.0 92.1 36.7 -15.2 1045 1178 X S H 3> S+ 0 0 37 1,-0.3 4,-1.3 2,-0.2 5,-0.2 0.703 92.6 75.4 -55.8 -19.2 88.4 37.7 -15.1 1046 1179 X A H 3< S+ 0 0 24 -4,-0.7 -1,-0.3 1,-0.2 -2,-0.1 0.522 98.1 45.0 -73.6 -5.2 88.1 34.9 -12.6 1047 1180 X D H <> S+ 0 0 92 -3,-2.5 4,-1.9 2,-0.1 5,-0.2 0.797 107.4 52.1-102.6 -44.1 89.8 37.1 -10.0 1048 1181 X K H < S+ 0 0 156 -4,-1.0 4,-0.4 1,-0.2 -2,-0.2 0.743 113.4 48.4 -65.9 -22.2 88.0 40.5 -10.5 1049 1182 X Q T < S+ 0 0 101 -4,-1.3 4,-0.4 2,-0.2 -1,-0.2 0.742 115.4 42.5 -87.2 -26.3 84.7 38.7 -10.2 1050 1183 X K T > S+ 0 0 63 -3,-0.2 4,-1.1 2,-0.2 -2,-0.2 0.587 109.8 56.3 -96.7 -13.1 85.7 36.8 -7.0 1051 1184 X E H X S+ 0 0 130 -4,-1.9 4,-1.9 2,-0.2 -3,-0.2 0.656 101.9 58.3 -86.0 -19.6 87.4 39.8 -5.4 1052 1185 X D H > S+ 0 0 90 -4,-0.4 4,-1.3 -5,-0.2 -2,-0.2 0.801 104.7 51.8 -72.7 -31.5 84.1 41.6 -5.8 1053 1186 X Q H > S+ 0 0 17 -4,-0.4 4,-2.3 2,-0.2 5,-0.2 0.902 108.8 49.4 -69.6 -43.8 82.6 38.9 -3.7 1054 1187 X K H X S+ 0 0 79 -4,-1.1 4,-2.3 1,-0.2 5,-0.2 0.956 109.1 50.9 -60.5 -53.0 85.2 39.3 -1.0 1055 1188 X K H X S+ 0 0 162 -4,-1.9 4,-2.9 1,-0.2 -1,-0.2 0.878 111.9 50.7 -51.0 -41.2 84.8 43.1 -0.8 1056 1189 X V H X S+ 0 0 7 -4,-1.3 4,-2.6 2,-0.2 -1,-0.2 0.940 109.2 45.4 -67.5 -52.0 81.0 42.5 -0.5 1057 1190 X R H X S+ 0 0 2 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.817 114.4 52.2 -64.1 -30.2 81.0 40.0 2.4 1058 1191 X S H X S+ 0 0 53 -4,-2.3 4,-2.0 -5,-0.2 3,-0.3 0.979 112.9 42.5 -63.8 -58.3 83.5 42.2 4.1 1059 1192 X A H X S+ 0 0 40 -4,-2.9 4,-1.5 1,-0.2 -2,-0.2 0.831 116.2 52.4 -54.2 -32.4 81.3 45.2 3.7 1060 1193 X L H X S+ 0 0 5 -4,-2.6 4,-0.9 2,-0.2 -1,-0.2 0.855 106.4 50.3 -76.4 -37.0 78.4 42.9 4.7 1061 1194 X E H X S+ 0 0 30 -4,-2.3 4,-1.6 -3,-0.3 -2,-0.2 0.862 111.6 48.5 -68.8 -37.1 80.0 41.6 7.9 1062 1195 X R H X S+ 0 0 177 -4,-2.0 4,-1.5 1,-0.2 -2,-0.2 0.855 104.4 58.8 -72.6 -35.7 80.7 45.2 9.1 1063 1196 X I H X S+ 0 0 18 -4,-1.5 4,-0.6 -5,-0.2 -1,-0.2 0.809 107.5 49.7 -61.4 -29.0 77.2 46.3 8.3 1064 1197 X V H >< S+ 0 0 0 -4,-0.9 3,-0.9 2,-0.2 -2,-0.2 0.895 102.9 56.6 -77.5 -43.2 76.1 43.6 10.7 1065 1198 X K H >X S+ 0 0 77 -4,-1.6 4,-2.4 1,-0.3 3,-1.2 0.836 102.1 59.1 -57.3 -33.1 78.4 44.5 13.6 1066 1199 X L H 3X S+ 0 0 75 -4,-1.5 4,-0.6 1,-0.3 -1,-0.3 0.829 110.4 41.1 -65.0 -32.2 76.9 48.0 13.4 1067 1200 X A H << S+ 0 0 0 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.237 116.2 54.2 -96.6 10.9 73.5 46.4 14.2 1068 1201 X D H <4 S+ 0 0 30 -3,-1.2 3,-0.5 42,-0.1 5,-0.4 0.712 108.8 41.1-109.4 -37.3 75.2 44.1 16.7 1069 1202 X K H >< S+ 0 0 160 -4,-2.4 2,-2.7 1,-0.2 3,-1.0 0.982 112.5 47.6 -79.3 -66.3 77.0 46.5 19.0 1070 1203 X V T 3< S+ 0 0 102 -4,-0.6 -1,-0.2 1,-0.3 -62,-0.1 -0.180 108.8 61.1 -72.9 49.1 74.5 49.4 19.5 1071 1204 X I T 3 S- 0 0 7 -2,-2.7 -1,-0.3 -3,-0.5 5,-0.1 -0.040 85.6-158.4-159.2 30.3 71.8 46.8 20.2 1072 1205 X Q <> - 0 0 140 -3,-1.0 4,-1.1 1,-0.2 3,-0.4 0.192 5.1-160.7 -31.5 110.8 73.4 45.2 23.2 1073 1206 X E H > S+ 0 0 39 -5,-0.4 4,-1.1 1,-0.2 -1,-0.2 0.787 75.9 78.6 -67.1 -31.2 71.8 41.7 23.5 1074 1207 X T H >4 S+ 0 0 79 1,-0.2 3,-0.6 2,-0.2 -1,-0.2 0.899 106.1 29.2 -48.2 -53.9 72.7 41.2 27.1 1075 1208 X D H >4 S+ 0 0 127 -3,-0.4 3,-0.9 1,-0.2 -1,-0.2 0.821 111.7 67.6 -78.4 -31.0 69.9 43.3 28.5 1076 1209 X S H >X S+ 0 0 11 -4,-1.1 4,-0.5 1,-0.3 3,-0.5 0.670 93.5 64.0 -59.9 -15.9 67.7 42.5 25.5 1077 1210 X E T << S+ 0 0 47 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.1 -0.264 82.4 78.1-104.2 44.5 67.7 39.0 26.9 1078 1211 X A T <4 S+ 0 0 48 -3,-0.9 -1,-0.2 3,-0.1 -2,-0.1 0.268 96.4 39.6-129.8 4.4 65.8 40.0 30.1 1079 1212 X L T <4 S+ 0 0 44 -3,-0.5 -2,-0.1 -4,-0.1 9,-0.1 0.646 108.7 54.1-122.0 -36.9 62.3 40.2 28.7 1080 1213 X L S >< S+ 0 0 31 -4,-0.5 3,-0.6 2,-0.2 4,-0.2 0.997 130.7 10.4 -66.3 -67.5 62.0 37.3 26.3 1081 1214 X S T 3 S+ 0 0 94 1,-0.2 3,-0.3 2,-0.1 -1,-0.1 0.817 129.0 59.3 -82.2 -33.3 62.9 34.3 28.4 1082 1215 X Y T 3 S+ 0 0 190 1,-0.2 3,-0.2 2,-0.1 -1,-0.2 -0.038 78.3 112.6 -82.6 32.2 62.9 36.4 31.6 1083 1216 X Y < + 0 0 56 -3,-0.6 2,-1.8 1,-0.2 -1,-0.2 0.991 23.1 130.4 -65.8 -79.6 59.2 37.1 30.9 1084 1217 X G + 0 0 75 -3,-0.3 2,-0.7 -4,-0.2 -1,-0.2 -0.408 55.0 77.7 63.1 -86.1 57.4 35.3 33.6 1085 1218 X L S > S- 0 0 115 -2,-1.8 3,-2.2 -3,-0.2 5,-0.2 -0.392 95.7-122.3 -55.5 102.3 55.2 38.2 34.7 1086 1219 X K T 3> S- 0 0 173 -2,-0.7 4,-0.6 1,-0.3 3,-0.3 -0.258 90.9 -3.4 -55.2 127.8 52.6 38.0 31.9 1087 1220 X N H >> S- 0 0 68 1,-0.2 3,-1.0 2,-0.2 4,-0.8 0.819 123.6 -78.0 55.3 33.7 52.5 41.3 30.0 1088 1221 X D H X4 S- 0 0 44 -3,-2.2 3,-1.8 1,-0.3 -1,-0.2 0.926 96.6 -39.4 35.9 74.3 55.0 42.6 32.6 1089 1222 X T H 34 S- 0 0 105 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.2 0.649 98.2 -85.8 56.4 16.1 52.5 43.1 35.4 1090 1223 X R H << S+ 0 0 65 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.875 75.3 161.0 53.3 41.6 50.2 44.4 32.7 1091 1224 X A << - 0 0 56 -3,-1.8 -1,-0.1 -4,-0.8 -2,-0.1 0.694 34.5-151.4 -64.0 -18.3 51.8 47.9 33.0 1092 1225 X D S S+ 0 0 140 -5,-0.5 -1,-0.1 1,-0.2 -4,-0.1 0.711 82.0 81.6 50.9 22.2 50.4 48.6 29.6 1093 1226 X A S S+ 0 0 93 3,-0.0 -1,-0.2 0, 0.0 -3,-0.0 0.491 109.3 18.0-120.3 -23.9 53.3 51.0 29.1 1094 1227 X A S S+ 0 0 53 -7,-0.2 5,-0.1 -6,-0.2 -6,-0.1 0.180 91.0 111.1-127.3 8.3 55.8 48.3 28.2 1095 1228 X K + 0 0 28 -8,-0.1 2,-0.8 -7,-0.1 3,-0.1 0.305 53.4 111.7 -66.4 12.5 53.1 45.7 27.3 1096 1229 X I > + 0 0 98 1,-0.2 4,-0.8 2,-0.0 3,-0.4 -0.817 40.0 173.7 -94.2 105.6 54.4 46.3 23.8 1097 1230 X K H >>S+ 0 0 98 -2,-0.8 4,-2.6 1,-0.2 5,-0.7 0.728 70.9 84.8 -73.5 -24.1 56.3 43.3 22.4 1098 1231 X T H 45S+ 0 0 108 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.838 96.0 38.1 -47.6 -40.7 56.4 45.3 19.1 1099 1232 X N H >5S+ 0 0 91 -3,-0.4 4,-2.4 3,-0.2 -1,-0.2 0.935 122.5 40.9 -77.3 -49.1 59.5 47.1 20.4 1100 1233 X X H X5S+ 0 0 37 -4,-0.8 4,-1.7 2,-0.2 5,-0.2 0.983 117.2 45.0 -63.0 -61.5 61.2 44.2 22.1 1101 1234 X D H X5S+ 0 0 41 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.709 113.9 54.9 -57.9 -19.8 60.4 41.5 19.5 1102 1235 X K H >X S+ 0 0 2 -4,-0.8 4,-2.4 -5,-0.2 3,-0.5 0.963 105.7 50.9 -61.9 -56.3 69.2 41.1 16.0 1108 1241 X I H 3X S+ 0 0 11 -4,-3.0 4,-3.3 1,-0.3 -1,-0.2 0.876 109.5 52.2 -50.0 -42.2 68.9 37.5 14.9 1109 1242 X E H 3X S+ 0 0 41 -4,-0.7 4,-2.8 -5,-0.3 -1,-0.3 0.861 109.3 50.0 -66.5 -36.1 69.0 38.6 11.3 1110 1243 X A H X S+ 0 0 21 -4,-2.5 4,-3.1 -5,-0.2 3,-0.8 0.968 108.6 45.3 -67.0 -54.7 77.1 37.9 9.7 1115 1248 X G H 3X S+ 0 0 0 -4,-2.5 4,-1.3 1,-0.3 5,-0.2 0.950 111.9 50.1 -53.8 -56.3 78.0 34.2 10.3 1116 1249 X I H 3X S+ 0 0 26 -4,-2.0 4,-0.7 1,-0.2 -1,-0.3 0.709 116.1 47.3 -57.2 -18.2 76.9 33.1 6.9 1117 1250 X A H S+ 0 0 2 -4,-0.7 5,-1.1 1,-0.2 4,-1.0 0.883 108.9 49.8 -56.1 -39.7 86.6 31.5 5.5 1123 1256 X V H <5S+ 0 0 24 -4,-1.5 -1,-0.2 2,-0.2 -2,-0.2 0.865 109.0 51.1 -68.4 -37.6 85.9 29.4 2.4 1124 1257 X L H <5S+ 0 0 38 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.882 118.8 37.5 -65.1 -38.8 87.5 32.0 0.1 1125 1258 X D H <5S- 0 0 87 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.565 109.2-130.7 -87.8 -10.7 90.6 32.0 2.3 1126 1259 X D T <5S+ 0 0 140 -4,-1.0 -3,-0.2 -5,-0.3 -4,-0.1 0.990 74.5 107.3 56.9 78.3 90.3 28.2 2.9 1127 1260 X C < + 0 0 21 -5,-1.1 3,-0.4 2,-0.1 5,-0.3 0.145 17.1 145.7-176.1 22.6 90.6 28.2 6.7 1128 1261 X I S >> S+ 0 0 41 -6,-0.3 4,-0.6 1,-0.2 3,-0.5 0.710 77.8 64.0 -43.0 -20.2 87.2 27.4 8.1 1129 1262 X K G >4 S+ 0 0 169 1,-0.2 3,-1.1 2,-0.2 4,-0.4 0.980 102.4 39.7 -73.2 -59.9 89.4 25.6 10.7 1130 1263 X D G 34 S+ 0 0 126 -3,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.083 123.7 44.3 -81.8 25.6 91.3 28.6 12.2 1131 1264 X S G X> S+ 0 0 38 -3,-0.5 4,-1.3 -4,-0.2 3,-0.9 0.331 81.7 97.7-136.1 -8.3 88.1 30.6 12.0 1132 1265 X L H S+ 0 0 66 -4,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.933 100.6 42.3 -54.5 -52.0 85.9 29.6 16.8 1134 1267 X E H <> S+ 0 0 52 -3,-0.9 4,-2.9 1,-0.2 5,-0.3 0.961 108.9 56.8 -61.9 -54.6 83.9 32.7 15.9 1135 1268 X I H X S+ 0 0 1 -4,-1.3 4,-2.1 1,-0.2 -1,-0.2 0.821 111.9 47.0 -45.8 -34.6 81.3 30.8 13.9 1136 1269 X N H X S+ 0 0 43 -4,-1.7 4,-2.7 2,-0.2 5,-0.2 0.973 111.8 44.8 -73.2 -57.8 80.7 28.9 17.1 1137 1270 X E H < S+ 0 0 125 -4,-2.4 4,-0.3 1,-0.2 -2,-0.2 0.774 118.5 49.2 -56.7 -24.9 80.6 31.8 19.6 1138 1271 X L H >X S+ 0 0 10 -4,-2.9 4,-1.0 -5,-0.2 3,-0.6 0.897 111.6 45.1 -80.8 -44.8 78.3 33.4 16.9 1139 1272 X Y H 3X S+ 0 0 30 -4,-2.1 4,-1.6 -5,-0.3 -2,-0.2 0.796 109.3 56.9 -69.8 -30.5 76.0 30.4 16.4 1140 1273 X T H 3< S+ 0 0 70 -4,-2.7 4,-0.4 1,-0.2 -1,-0.2 0.639 104.6 52.9 -78.4 -14.7 75.7 29.8 20.2 1141 1274 X E H <4 S+ 0 0 56 -3,-0.6 -1,-0.2 -4,-0.3 -2,-0.2 0.728 106.7 51.4 -90.9 -25.5 74.5 33.4 20.7 1142 1275 X I H >< S+ 0 0 4 -4,-1.0 3,-3.1 1,-0.2 -2,-0.2 0.938 102.4 58.2 -71.8 -49.5 71.7 33.1 18.1 1143 1276 X I T 3< S+ 0 0 69 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.1 0.771 87.1 77.2 -54.1 -28.3 70.2 29.9 19.6 1144 1277 X K T 3 S+ 0 0 77 -4,-0.4 -1,-0.3 2,-0.1 -2,-0.2 0.727 108.7 31.7 -54.2 -20.2 69.7 31.8 22.8 1145 1278 X F S < S- 0 0 24 -3,-3.1 3,-0.1 1,-0.3 2,-0.1 0.054 127.8 -3.8-108.6-138.8 66.8 33.2 20.9 1146 1279 X V S S- 0 0 43 1,-0.1 -1,-0.3 -2,-0.1 4,-0.1 -0.346 89.1-100.4 -60.5 131.4 64.7 31.6 18.2 1147 1280 X D > - 0 0 83 1,-0.1 3,-1.7 -3,-0.1 6,-0.3 0.043 31.7-102.4 -57.3 162.5 66.0 28.1 17.4 1148 1281 X A T 3 S+ 0 0 4 1,-0.3 9,-0.3 5,-0.1 8,-0.2 0.685 111.8 68.2 -62.3 -22.9 68.2 27.4 14.4 1149 1282 X N T 3 S+ 0 0 61 4,-0.1 -1,-0.3 3,-0.1 2,-0.2 0.463 76.0 104.4 -82.8 0.4 65.4 25.8 12.2 1150 1283 X D S X> S- 0 0 73 -3,-1.7 4,-3.4 1,-0.1 3,-1.9 -0.558 86.8-113.8 -79.1 145.8 63.5 29.1 11.9 1151 1284 X S T 34 S+ 0 0 86 1,-0.3 4,-0.4 2,-0.2 -1,-0.1 0.824 114.5 68.4 -44.4 -35.8 63.7 30.8 8.5 1152 1285 X K T 34 S+ 0 0 33 1,-0.2 -1,-0.3 2,-0.1 -4,-0.1 0.847 126.1 2.2 -55.3 -40.3 65.5 33.6 10.4 1153 1286 X A T X> S+ 0 0 5 -3,-1.9 3,-3.0 -6,-0.3 4,-1.7 0.415 94.9 114.7-128.2 -4.5 68.6 31.5 11.1 1154 1287 X I H 3X S+ 0 0 12 -4,-3.4 4,-0.8 1,-0.3 -3,-0.1 0.781 85.9 39.6 -43.3 -39.1 67.8 28.2 9.3 1155 1288 X Q H 34 S+ 0 0 87 -4,-0.4 -1,-0.3 2,-0.2 4,-0.2 0.218 103.3 64.2-108.1 16.3 70.7 28.7 6.8 1156 1289 X F H <> S+ 0 0 1 -3,-3.0 4,-2.3 -8,-0.2 3,-0.2 0.652 102.7 54.8 -89.6 -30.0 73.3 30.1 9.1 1157 1290 X A H X S+ 0 0 0 -4,-1.7 4,-3.8 -9,-0.3 5,-0.3 0.915 97.8 61.5 -62.4 -45.1 73.1 26.7 10.7 1158 1291 X L H X S+ 0 0 0 -4,-0.8 4,-1.5 1,-0.2 -1,-0.2 0.830 108.8 44.0 -51.2 -34.9 73.8 25.1 7.4 1159 1292 X W H > S+ 0 0 3 -3,-0.2 4,-3.0 2,-0.2 5,-0.2 0.934 112.2 50.4 -75.6 -49.5 77.1 26.9 7.5 1160 1293 X H H X S+ 0 0 7 -4,-2.3 4,-1.4 1,-0.2 -2,-0.2 0.939 111.9 49.4 -50.2 -51.3 77.8 26.1 11.1 1161 1294 X A H X>S+ 0 0 0 -4,-3.8 5,-3.0 1,-0.2 4,-0.6 0.906 111.7 49.3 -55.2 -44.8 77.0 22.4 10.3 1162 1295 X Y H ><5S+ 0 0 44 -4,-1.5 3,-1.1 -5,-0.3 -2,-0.2 0.917 108.8 51.2 -61.8 -45.5 79.4 22.6 7.3 1163 1296 X A H 3<5S+ 0 0 7 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.716 112.2 47.7 -67.4 -21.4 82.2 24.2 9.3 1164 1297 X H H 3<5S- 0 0 54 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.491 114.2-117.6 -94.4 -6.7 81.9 21.4 11.9 1165 1298 X G T <<5 + 0 0 34 -3,-1.1 2,-1.3 -4,-0.6 -3,-0.2 0.781 63.6 149.1 73.7 28.0 81.8 18.7 9.3 1166 1299 X H >< + 0 0 7 -5,-3.0 4,-1.8 -6,-0.2 3,-0.4 -0.551 9.3 163.0 -93.8 69.1 78.3 17.7 10.3 1167 1300 X Y H > S+ 0 0 59 -2,-1.3 4,-1.1 1,-0.2 -1,-0.2 0.686 72.8 60.5 -62.6 -18.5 77.1 16.5 7.0 1168 1301 X G H > S+ 0 0 0 2,-0.2 4,-1.8 -3,-0.2 -1,-0.2 0.936 103.5 47.3 -72.2 -48.9 74.3 14.7 8.8 1169 1302 X R H > S+ 0 0 2 -3,-0.4 4,-2.1 1,-0.2 -2,-0.2 0.905 105.1 60.8 -57.6 -44.9 72.8 17.9 10.3 1170 1303 X X H X S+ 0 0 0 -4,-1.8 4,-3.3 1,-0.2 -1,-0.2 0.896 104.5 49.1 -51.0 -45.0 73.0 19.6 6.9 1171 1304 X Y H X S+ 0 0 26 -4,-1.1 4,-0.8 1,-0.2 -1,-0.2 0.938 108.0 53.9 -58.4 -47.0 70.7 17.0 5.5 1172 1305 X K H X S+ 0 0 67 -4,-1.8 4,-0.7 1,-0.2 -1,-0.2 0.826 115.8 40.9 -58.7 -32.0 68.3 17.5 8.4 1173 1306 X Y H >X S+ 0 0 10 -4,-2.1 4,-1.4 2,-0.2 3,-1.2 0.955 108.1 55.6 -79.4 -55.9 68.3 21.3 7.6 1174 1307 X V H 3X S+ 0 0 0 -4,-3.3 4,-0.6 1,-0.3 -2,-0.2 0.516 104.5 58.7 -62.6 -2.2 68.1 21.2 3.8 1175 1308 X V H 3X S+ 0 0 24 -4,-0.8 4,-1.0 -5,-0.2 -1,-0.3 0.813 98.3 56.8 -89.4 -38.4 65.0 19.1 4.2 1176 1309 X K H XX S+ 0 0 93 -3,-1.2 3,-1.1 -4,-0.7 4,-1.1 0.956 112.0 43.0 -51.0 -53.0 63.2 21.8 6.2 1177 1310 X L H 3X>S+ 0 0 18 -4,-1.4 4,-2.9 1,-0.3 5,-0.8 0.874 109.5 57.8 -59.7 -39.4 63.8 24.1 3.3 1178 1311 X I H 3<5S+ 0 0 24 -4,-0.6 -1,-0.3 -5,-0.3 -2,-0.2 0.625 102.0 57.3 -70.8 -12.3 62.8 21.3 0.9 1179 1312 X E H <<5S+ 0 0 107 -3,-1.1 -1,-0.2 -4,-1.0 -2,-0.2 0.813 118.0 28.6 -85.1 -33.7 59.4 21.1 2.8 1180 1313 X E H <5S+ 0 0 126 -4,-1.1 -2,-0.2 -3,-0.5 -3,-0.1 0.877 137.8 12.9 -92.4 -46.2 58.5 24.8 2.2 1181 1314 X K T <5 - 0 0 145 -4,-2.9 -3,-0.2 -5,-0.2 -4,-0.1 0.921 68.9-163.3 -99.4 -64.3 60.2 25.7 -1.1 1182 1315 X R < + 0 0 93 -5,-0.8 2,-0.3 1,-0.1 -4,-0.1 0.972 21.6 168.4 65.5 86.4 61.6 22.8 -3.1 1183 1316 X T >> - 0 0 49 1,-0.1 3,-1.6 -354,-0.0 4,-1.0 -0.899 49.5-114.8-122.2 155.2 64.1 24.2 -5.6 1184 1317 X R H >> S+ 0 0 103 -2,-0.3 4,-2.4 1,-0.3 3,-0.8 0.884 116.8 65.9 -52.0 -38.2 66.6 22.3 -7.8 1185 1318 X D H 3> S+ 0 0 76 1,-0.3 4,-1.1 2,-0.2 -1,-0.3 0.799 95.4 56.9 -55.6 -31.1 69.2 24.1 -5.7 1186 1319 X H H <> S+ 0 0 9 -3,-1.6 4,-1.9 2,-0.2 -1,-0.3 0.884 109.6 44.4 -66.1 -39.7 68.1 22.1 -2.7 1187 1320 X F H X S+ 0 0 4 -4,-2.0 4,-2.0 2,-0.2 3,-0.5 0.916 108.3 50.9 -77.5 -49.0 73.5 15.6 -3.7 1192 1325 X A H 3X S+ 0 0 10 -4,-1.9 4,-2.0 1,-0.3 -2,-0.2 0.835 103.9 60.7 -57.5 -34.6 76.8 17.4 -2.9 1193 1326 X I H 3X S+ 0 0 0 -4,-1.9 4,-0.8 1,-0.2 -1,-0.3 0.907 106.4 46.4 -59.1 -42.3 76.3 16.5 0.8 1194 1327 X N H XX S+ 0 0 0 -4,-0.8 4,-1.3 -3,-0.5 3,-1.0 0.929 106.8 55.8 -66.7 -48.0 76.3 12.8 -0.2 1195 1328 X G H >< S+ 0 0 21 -4,-2.0 3,-0.8 1,-0.3 -1,-0.2 0.906 107.2 50.7 -49.4 -46.3 79.4 13.0 -2.4 1196 1329 X A H 3< S+ 0 0 55 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.741 109.2 52.1 -66.2 -23.8 81.3 14.5 0.6 1197 1330 X L H << S- 0 0 41 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.656 114.4-119.4 -84.7 -18.6 80.0 11.6 2.7 1198 1331 X G S << S+ 0 0 48 -4,-1.3 2,-1.1 -3,-0.8 -3,-0.1 -0.102 73.5 128.0 106.5 -34.5 81.2 9.0 0.1 1199 1332 X H > + 0 0 42 -5,-0.5 4,-1.1 1,-0.2 -1,-0.2 -0.394 21.0 161.4 -59.7 96.1 77.9 7.5 -0.7 1200 1333 X E H > + 0 0 103 -2,-1.1 4,-1.1 2,-0.2 -1,-0.2 0.526 69.9 64.7 -97.3 -8.2 77.9 7.8 -4.5 1201 1334 X H H > S+ 0 0 36 2,-0.2 4,-0.8 3,-0.1 -1,-0.2 0.824 106.6 46.4 -73.3 -34.4 75.2 5.2 -4.9 1202 1335 X I H >> S+ 0 0 2 2,-0.2 4,-2.2 1,-0.2 3,-0.6 0.928 111.4 48.7 -70.3 -48.1 73.0 7.7 -3.1 1203 1336 X R H 3X S+ 0 0 85 -4,-1.1 4,-1.6 1,-0.3 -1,-0.2 0.784 105.7 58.6 -66.3 -27.8 74.2 10.7 -5.1 1204 1337 X T H 3< S+ 0 0 71 -4,-1.1 -1,-0.3 2,-0.2 -2,-0.2 0.816 108.7 46.5 -68.3 -30.4 73.6 8.7 -8.4 1205 1338 X V H XX S+ 0 0 10 -4,-0.8 3,-1.8 -3,-0.6 4,-1.5 0.897 107.8 54.4 -76.1 -44.0 70.0 8.3 -7.3 1206 1339 X I H 3X S+ 0 0 1 -4,-2.2 4,-1.7 1,-0.3 -2,-0.2 0.836 101.3 60.5 -59.1 -33.9 69.6 12.0 -6.3 1207 1340 X N H 3X S+ 0 0 71 -4,-1.6 4,-0.9 1,-0.2 -1,-0.3 0.623 104.1 52.0 -69.0 -12.6 70.7 12.9 -9.8 1208 1341 X R H <> S+ 0 0 67 -3,-1.8 4,-1.4 2,-0.2 -1043,-0.2 0.852 102.9 54.7 -90.9 -42.7 67.7 11.0 -11.1 1209 1342 X X H >X S+ 0 0 35 -4,-1.5 4,-4.0 1,-0.2 3,-1.3 0.979 109.0 50.2 -49.4 -62.2 65.1 12.7 -9.0 1210 1343 X X H 3X S+ 0 0 5 -4,-1.7 4,-1.8 1,-0.3 -1,-0.2 0.897 104.4 56.3 -41.6 -59.3 66.2 16.1 -10.3 1211 1344 X I H 3< S+ 0 0 46 -4,-0.9 -1,-0.3 1,-0.2 -2,-0.2 0.821 122.9 27.6 -46.3 -35.9 66.1 15.1 -14.0 1212 1345 X T H << S+ 0 0 37 -4,-1.4 -380,-0.2 -3,-1.3 -2,-0.2 0.803 116.6 56.6 -98.9 -36.1 62.5 14.1 -13.6 1213 1346 X A H < S+ 0 0 15 -4,-4.0 -382,-0.4 1,-0.3 -3,-0.2 0.593 113.8 42.1 -75.9 -10.8 61.2 16.3 -10.7 1214 1347 X F S < S+ 0 0 40 -4,-1.8 -1,-0.3 -5,-0.3 -384,-0.1 -0.449 81.7 177.0-134.0 61.0 62.3 19.4 -12.7 1215 1348 X P - 0 0 32 0, 0.0 -3,-0.1 0, 0.0 3,-0.1 -0.104 35.7-125.9 -61.4 162.2 61.2 18.8 -16.3 1216 1349 X S S S+ 0 0 97 1,-0.1 2,-0.3 -1142,-0.1 -385,-0.0 0.924 89.1 14.3 -73.7 -47.6 61.7 21.5 -19.0 1217 1350 X S S S- 0 0 44 -387,-0.0 2,-0.2 -1156,-0.0 -1,-0.1 -0.802 89.8 -88.8-125.6 165.4 58.0 21.4 -20.1 1218 1351 X F - 0 0 51 -2,-0.3 -387,-0.1 1,-0.1 -386,-0.0 -0.493 59.0 -93.8 -68.0 143.2 54.7 20.2 -18.8 1219 1352 X R - 0 0 74 -389,-0.4 -1,-0.1 -2,-0.2 -1159,-0.1 -0.288 44.9-111.6 -59.9 142.6 54.0 16.6 -20.0 1220 1353 X L 0 0 55 -1161,-0.1 -1,-0.1 1,-0.1 -1161,-0.0 -0.048 360.0 360.0 -67.0 174.5 51.9 16.3 -23.2 1221 1354 X F 0 0 32 -397,-0.0 -1162,-0.1 0, 0.0 -1,-0.1 0.806 360.0 360.0-104.4 360.0 48.4 15.0 -23.4