==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 27-FEB-02 1IU4 . COMPND 2 MOLECULE: MICROBIAL TRANSGLUTAMINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES MOBARAENSIS; . AUTHOR T.KASHIWAGI,K.YOKOYAMA,K.ISHIKAWA,K.ONO,D.EJIMA,H.MATSUI, . 1324 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 58776.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 829 62.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 193 14.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 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 . 10 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 87 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 149 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 319 24.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 1.5 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 4 0 7 8 4 1 2 5 3 0 3 1 0 1 0 3 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 23 9 1 0 9 2 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 2 0 0 0 0 1 2 1 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 D > 0 0 163 0, 0.0 3,-1.2 0, 0.0 281,-0.1 0.000 360.0 360.0 360.0 71.2 0.8 25.3 20.8 2 2 A S T 3 + 0 0 70 1,-0.2 280,-0.2 279,-0.0 281,-0.0 0.874 360.0 60.1 -60.6 -36.1 -1.8 22.8 20.0 3 3 A D T 3 S+ 0 0 46 280,-0.1 2,-0.3 279,-0.1 -1,-0.2 0.267 77.7 131.4 -85.0 11.6 -1.7 24.1 16.4 4 4 A D < - 0 0 92 -3,-1.2 278,-0.4 1,-0.1 2,-0.2 -0.460 63.3-115.7 -57.4 127.3 1.8 23.2 16.2 5 5 A R - 0 0 82 -2,-0.3 2,-0.4 275,-0.1 275,-0.2 -0.479 33.3-164.6 -62.0 131.8 2.7 21.3 13.0 6 6 A V - 0 0 37 273,-2.2 273,-0.2 -2,-0.2 -1,-0.0 -0.914 19.1-122.1-118.6 147.3 3.9 17.8 13.6 7 7 A T - 0 0 39 -2,-0.4 51,-0.2 53,-0.0 50,-0.1 -0.749 34.6-111.1 -84.6 134.6 5.7 15.5 11.3 8 8 A P - 0 0 0 0, 0.0 53,-0.1 0, 0.0 2,-0.1 -0.338 35.2-114.6 -54.2 137.1 3.9 12.1 10.7 9 9 A P - 0 0 82 0, 0.0 2,-0.6 0, 0.0 0, 0.0 -0.284 45.1 -77.5 -65.7 157.6 5.7 9.1 12.2 10 10 A A - 0 0 47 1,-0.1 43,-0.1 -2,-0.1 44,-0.0 -0.369 38.2-147.5 -69.7 117.3 7.2 6.5 9.9 11 11 A E - 0 0 9 -2,-0.6 41,-0.2 41,-0.1 -1,-0.1 -0.585 24.9-113.1 -74.4 133.8 5.1 4.0 8.3 12 12 A P - 0 0 51 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 -0.272 21.6-131.7 -41.4 131.5 6.5 0.5 7.7 13 13 A L S S+ 0 0 62 1,-0.2 -2,-0.0 36,-0.1 37,-0.0 0.735 102.0 63.1 -76.3 -9.6 6.9 -0.0 4.0 14 14 A D S S+ 0 0 125 2,-0.1 2,-0.4 1,-0.0 -1,-0.2 0.844 83.8 91.2 -67.7 -38.3 5.2 -3.4 4.3 15 15 A R - 0 0 108 -3,-0.4 25,-0.1 1,-0.1 24,-0.1 -0.442 66.7-138.9 -79.2 127.3 1.8 -2.1 5.5 16 16 A M - 0 0 115 -2,-0.4 2,-0.1 1,-0.1 21,-0.1 -0.148 20.9-109.8 -58.4 158.6 -1.0 -1.3 3.2 17 17 A P - 0 0 8 0, 0.0 -1,-0.1 0, 0.0 17,-0.1 -0.462 36.5 -99.8 -77.9 167.0 -3.4 1.6 3.5 18 18 A D - 0 0 103 -2,-0.1 2,-0.3 1,-0.1 19,-0.1 -0.505 49.2 -77.1 -87.4 157.2 -7.1 1.4 4.5 19 19 A P + 0 0 89 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.319 54.6 160.9 -53.5 119.3 -10.1 1.5 2.1 20 20 A Y B -A 330 0A 14 310,-0.9 310,-2.5 -2,-0.3 9,-0.1 -0.958 13.3-173.2-134.4 161.2 -11.2 4.7 0.6 21 21 A R - 0 0 170 -2,-0.3 7,-0.2 308,-0.2 2,-0.2 -0.987 31.8 -94.3-147.6 141.3 -13.3 5.6 -2.4 22 22 A P - 0 0 57 0, 0.0 2,-0.5 0, 0.0 5,-0.3 -0.384 25.0-157.4 -65.0 138.4 -14.2 8.9 -4.1 23 23 A S B > S-B 26 0B 81 3,-3.1 3,-1.9 -2,-0.2 -2,-0.0 -0.957 75.6 -23.4-111.8 123.2 -17.3 10.8 -3.4 24 24 A Y T 3 S- 0 0 133 -2,-0.5 -1,-0.1 1,-0.3 609,-0.1 0.867 131.7 -41.3 43.0 48.6 -18.4 13.2 -6.2 25 25 A G T 3 S+ 0 0 2 1,-0.2 269,-3.0 607,-0.1 2,-0.4 0.103 122.7 91.1 89.5 -24.4 -15.0 13.5 -7.7 26 26 A R E < -BC 23 293B 104 -3,-1.9 -3,-3.1 267,-0.3 2,-0.3 -0.838 44.6-178.5-104.7 148.3 -13.0 13.7 -4.5 27 27 A A E + C 0 292B 4 265,-1.6 265,-1.7 -2,-0.4 2,-0.3 -0.906 10.6 174.4-129.6 165.8 -11.3 11.2 -2.3 28 28 A E E + C 0 291B 70 -2,-0.3 2,-0.3 263,-0.3 263,-0.2 -0.980 13.8 176.6-166.0 154.3 -9.4 11.6 0.9 29 29 A T E - C 0 290B 18 261,-1.0 261,-2.8 -2,-0.3 5,-0.1 -0.961 44.4 -82.9-158.9 156.9 -7.6 10.0 3.8 30 30 A V E > - C 0 289B 44 -2,-0.3 4,-1.9 259,-0.2 259,-0.3 -0.260 49.1-105.7 -60.0 158.5 -5.6 11.1 6.8 31 31 A V H > S+ 0 0 0 257,-2.8 4,-2.8 1,-0.2 5,-0.2 0.813 118.7 58.3 -51.8 -29.8 -1.8 11.8 6.1 32 32 A N H > S+ 0 0 39 1,-0.2 4,-2.1 256,-0.2 -1,-0.2 0.986 108.3 43.2 -64.5 -51.8 -0.8 8.6 7.8 33 33 A N H > S+ 0 0 1 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.827 110.6 56.6 -55.9 -36.4 -2.9 6.5 5.6 34 34 A Y H X S+ 0 0 4 -4,-1.9 4,-3.6 2,-0.2 -1,-0.2 0.940 102.9 55.6 -67.0 -45.8 -1.7 8.5 2.5 35 35 A I H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 5,-0.3 0.922 104.9 52.8 -49.7 -48.0 1.9 7.7 3.4 36 36 A R H X S+ 0 0 29 -4,-2.1 4,-1.3 2,-0.2 -1,-0.2 0.953 112.9 43.9 -47.7 -51.5 1.1 4.1 3.4 37 37 A K H >X S+ 0 0 0 -4,-1.8 4,-2.0 2,-0.2 3,-0.7 0.966 110.2 55.0 -61.9 -54.4 -0.4 4.4 -0.1 38 38 A W H >X>S+ 0 0 1 -4,-3.6 4,-2.1 1,-0.2 5,-1.1 0.935 106.8 51.7 -39.7 -54.8 2.4 6.6 -1.3 39 39 A Q H 3<5S+ 0 0 0 -4,-2.8 -1,-0.2 1,-0.2 11,-0.2 0.793 112.2 47.5 -58.8 -27.2 5.0 3.9 -0.3 40 40 A Q H <<5S+ 0 0 21 -4,-1.3 -1,-0.2 -3,-0.7 -2,-0.2 0.841 130.3 9.7 -82.7 -28.1 3.1 1.3 -2.2 41 41 A V H <<5S+ 0 0 37 -4,-2.0 -3,-0.2 -3,-0.5 -2,-0.2 0.681 130.1 35.0-125.3 -30.9 2.5 3.1 -5.5 42 42 A Y T <5S+ 0 0 12 -4,-2.1 278,-0.5 -5,-0.5 -3,-0.2 0.463 95.2 84.9-105.4 -0.9 4.4 6.3 -5.9 43 43 A S < + 0 0 0 -5,-1.1 -1,-0.1 277,-0.1 -4,-0.1 0.496 54.4 125.8 -91.1 -2.2 7.7 5.5 -4.1 44 44 A H - 0 0 33 5,-0.1 276,-1.1 -3,-0.1 2,-0.5 -0.269 35.0-172.8 -65.2 134.0 9.9 3.7 -6.5 45 45 A R B > S-JK 48 319C 59 3,-1.6 3,-1.1 274,-0.2 274,-0.2 -0.992 89.5 -8.7-113.7 115.0 13.4 4.6 -7.4 46 46 A D T 3 S- 0 0 120 272,-2.2 -1,-0.1 -2,-0.5 273,-0.1 0.954 128.3 -57.1 62.7 52.3 14.2 2.3 -10.2 47 47 A G T 3 S+ 0 0 43 271,-0.8 2,-0.5 1,-0.1 -1,-0.2 0.515 114.9 114.2 65.0 -1.6 11.3 0.1 -10.0 48 48 A R B < -J 45 0C 190 -3,-1.1 -3,-1.6 -5,-0.1 -1,-0.1 -0.916 63.3-130.2-114.9 112.9 12.1 -0.7 -6.4 49 49 A K + 0 0 89 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.1 -0.147 30.9 174.2 -68.4 153.7 9.8 0.5 -3.7 50 50 A Q - 0 0 70 -11,-0.2 2,-0.1 -37,-0.0 3,-0.0 -0.992 27.9 -85.6-156.7 167.3 10.7 2.5 -0.6 51 51 A Q - 0 0 90 -2,-0.3 2,-0.7 1,-0.1 -15,-0.0 -0.285 42.1-105.6 -68.6 148.9 9.9 4.4 2.6 52 52 A M - 0 0 1 -41,-0.2 -1,-0.1 -17,-0.1 -41,-0.1 -0.620 42.9-125.1 -70.4 116.2 9.1 8.0 3.0 53 53 A T > - 0 0 76 -2,-0.7 4,-3.2 1,-0.1 5,-0.2 -0.163 16.8-112.6 -48.7 151.2 12.1 9.6 4.5 54 54 A E H > S+ 0 0 99 2,-0.2 4,-2.5 3,-0.2 3,-0.3 0.990 122.4 46.8 -40.3 -65.9 11.8 11.6 7.7 55 55 A E H > S+ 0 0 110 1,-0.3 4,-2.4 2,-0.2 5,-0.3 0.924 112.1 49.0 -49.1 -53.8 12.7 14.7 5.6 56 56 A Q H > S+ 0 0 21 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.955 111.5 49.2 -51.0 -45.3 10.2 13.7 3.0 57 57 A R H X S+ 0 0 9 -4,-3.2 4,-1.8 -3,-0.3 -2,-0.2 0.924 108.5 54.5 -58.4 -41.3 7.5 13.2 5.7 58 58 A E H < S+ 0 0 69 -4,-2.5 -2,-0.2 2,-0.2 -1,-0.2 0.894 110.2 46.7 -60.0 -41.0 8.3 16.7 7.3 59 59 A W H >< S+ 0 0 52 -4,-2.4 3,-2.4 -5,-0.3 -2,-0.2 0.968 105.9 58.1 -65.4 -46.9 7.8 18.3 3.9 60 60 A L H >< S+ 0 0 2 -4,-2.4 3,-1.6 -5,-0.3 6,-0.4 0.914 96.6 66.8 -47.1 -45.6 4.5 16.5 3.4 61 61 A S T 3< S+ 0 0 0 -4,-1.8 218,-2.3 1,-0.3 -1,-0.3 0.404 75.3 83.1 -60.0 -4.4 3.2 17.9 6.6 62 62 A Y T < S- 0 0 105 -3,-2.4 2,-0.4 1,-0.2 3,-0.4 0.519 90.8-137.3 -83.5 -1.7 3.1 21.5 5.4 63 63 A G S X S+ 0 0 0 -3,-1.6 3,-0.9 214,-0.2 212,-0.7 -0.771 73.0 26.5 106.3-136.9 -0.2 21.0 3.8 64 64 A C T > S+ 0 0 21 -2,-0.4 3,-0.6 1,-0.3 211,-0.5 0.908 133.2 40.2 -34.6 -52.6 -1.6 22.1 0.3 65 65 A V T 3> S+ 0 0 4 -3,-0.4 4,-2.0 1,-0.2 3,-0.3 0.761 89.0 87.9 -69.6 -34.0 2.1 22.2 -0.8 66 66 A G H <> S+ 0 0 0 -3,-0.9 4,-2.2 -6,-0.4 -1,-0.2 0.656 86.6 49.8 -58.4 -22.6 3.6 19.2 0.8 67 67 A V H <> S+ 0 0 0 -3,-0.6 4,-2.4 -4,-0.5 5,-0.3 0.849 110.4 49.7 -87.1 -37.3 2.9 16.6 -2.0 68 68 A T H > S+ 0 0 1 -4,-0.4 4,-3.0 -3,-0.3 5,-0.5 0.999 112.3 49.1 -53.6 -63.8 4.2 18.7 -4.7 69 69 A W H X S+ 0 0 36 -4,-2.0 4,-2.3 1,-0.2 5,-0.4 0.940 117.3 40.3 -37.5 -66.0 7.4 19.3 -2.7 70 70 A V H < S+ 0 0 5 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.906 119.3 45.7 -48.6 -44.6 7.9 15.5 -1.9 71 71 A N H < S+ 0 0 2 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.869 122.8 34.6 -75.2 -33.9 6.9 14.5 -5.4 72 72 A S H < S- 0 0 9 -4,-3.0 -1,-0.2 -5,-0.3 -2,-0.2 0.589 102.4-129.4 -86.5 -19.2 9.0 17.1 -7.2 73 73 A G S < S+ 0 0 14 -4,-2.3 2,-0.3 -5,-0.5 -3,-0.2 0.335 77.7 71.4 84.7 -6.2 11.8 17.0 -4.7 74 74 A Q S S- 0 0 89 -5,-0.4 -2,-0.2 -6,-0.3 -1,-0.1 -0.977 90.4 -96.4-139.5 155.4 11.8 20.7 -4.3 75 75 A Y - 0 0 98 -2,-0.3 2,-0.3 1,-0.1 -9,-0.0 -0.543 63.1 -93.0 -64.3 131.2 9.9 23.6 -2.9 76 76 A P + 0 0 12 0, 0.0 -1,-0.1 0, 0.0 -7,-0.1 -0.295 41.8 178.3 -51.5 111.3 7.8 25.0 -5.8 77 77 A T - 0 0 109 -2,-0.3 -2,-0.0 -3,-0.0 157,-0.0 0.757 19.8-157.3 -76.5 -31.2 9.5 27.9 -7.6 78 78 A N + 0 0 6 2,-0.1 156,-0.3 1,-0.1 3,-0.1 0.731 41.5 141.9 60.5 19.2 6.6 28.2 -10.1 79 79 A R + 0 0 124 1,-0.2 2,-0.9 154,-0.1 155,-0.3 0.890 65.1 47.9 -64.5 -39.5 9.0 29.9 -12.7 80 80 A L S S+ 0 0 5 232,-0.4 232,-2.5 89,-0.1 2,-0.4 -0.824 80.8 151.0-106.9 97.5 7.5 28.3 -15.7 81 81 A A E -DE 232 311B 0 -2,-0.9 151,-3.3 151,-0.5 2,-0.3 -0.983 24.8-161.2-133.8 136.7 3.8 28.7 -15.4 82 82 A F E +DE 231 310B 0 228,-2.7 228,-2.9 -2,-0.4 2,-0.3 -0.794 11.9 165.6-113.2 163.0 1.0 29.0 -17.9 83 83 A A - 0 0 6 147,-1.9 2,-0.4 -2,-0.3 36,-0.1 -0.973 28.2-125.0-159.9 167.6 -2.6 30.1 -18.0 84 84 A S + 0 0 28 34,-0.5 34,-2.6 -2,-0.3 2,-0.4 -0.962 27.0 174.7-114.6 126.8 -5.4 31.1 -20.4 85 85 A F B -L 117 0D 26 -2,-0.4 2,-1.1 32,-0.2 32,-0.2 -0.997 29.6-132.7-136.5 138.0 -7.2 34.4 -20.3 86 86 A D > - 0 0 56 30,-2.4 4,-2.4 -2,-0.4 5,-0.1 -0.755 21.3-176.9 -90.1 98.5 -9.8 35.8 -22.8 87 87 A E H > S+ 0 0 72 -2,-1.1 4,-2.0 2,-0.2 -1,-0.2 0.773 82.5 53.5 -66.1 -27.1 -8.6 39.2 -23.5 88 88 A D H > S+ 0 0 86 2,-0.2 4,-2.5 1,-0.1 5,-0.3 0.955 106.1 48.9 -75.0 -46.4 -11.6 39.9 -25.5 89 89 A R H > S+ 0 0 58 1,-0.2 4,-3.1 2,-0.2 5,-0.4 0.969 112.6 53.7 -44.6 -54.6 -14.2 38.9 -22.9 90 90 A F H X S+ 0 0 13 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.930 110.2 41.7 -56.5 -45.6 -12.3 41.1 -20.5 91 91 A K H X S+ 0 0 108 -4,-2.0 4,-1.5 2,-0.2 -1,-0.2 0.875 117.3 47.5 -78.5 -26.9 -12.3 44.2 -22.6 92 92 A N H X>S+ 0 0 74 -4,-2.5 4,-2.2 2,-0.2 5,-0.8 0.931 116.4 42.6 -77.1 -43.1 -16.0 43.8 -23.7 93 93 A E H >X5S+ 0 0 66 -4,-3.1 4,-2.2 -5,-0.3 3,-0.8 0.999 113.2 57.5 -47.0 -61.9 -17.3 43.0 -20.2 94 94 A L H 3<5S+ 0 0 29 -4,-2.4 -2,-0.2 -5,-0.4 -1,-0.2 0.790 126.4 13.8 -40.2 -41.4 -15.0 45.8 -19.0 95 95 A K H 3<5S+ 0 0 151 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.383 135.1 35.9-129.8 15.5 -16.6 48.4 -21.2 96 96 A N H <<5S+ 0 0 127 -4,-2.2 -3,-0.2 -3,-0.8 -2,-0.2 0.343 106.1 73.9-128.6 -10.4 -19.9 47.0 -22.7 97 97 A G S < - 0 0 105 1,-0.2 3,-1.1 4,-0.2 4,-0.1 -0.815 54.3 -60.5-128.4 128.3 -24.3 44.1 -10.2 101 101 A S T 3 S- 0 0 128 -2,-0.6 -1,-0.2 1,-0.2 3,-0.1 0.796 125.1 -7.4 -1.3 98.3 -26.6 45.6 -7.6 102 102 A G T 3 S+ 0 0 82 1,-0.3 2,-0.3 -3,-0.1 -1,-0.2 0.392 95.9 136.5 97.4 -10.7 -24.2 47.4 -5.3 103 103 A E < - 0 0 27 -3,-1.1 -1,-0.3 1,-0.1 -2,-0.1 -0.499 45.5-137.0 -67.1 123.9 -20.9 46.1 -6.7 104 104 A T > - 0 0 58 -2,-0.3 4,-3.4 -3,-0.1 5,-0.2 -0.301 24.4 -99.8 -77.6 173.8 -18.3 48.8 -7.2 105 105 A R H > S+ 0 0 89 2,-0.2 4,-2.8 3,-0.2 5,-0.3 0.988 122.3 44.7 -54.0 -59.8 -15.9 49.4 -10.1 106 106 A A H > S+ 0 0 20 1,-0.2 4,-3.6 2,-0.2 5,-0.2 0.898 117.3 48.2 -46.2 -50.0 -12.8 47.6 -8.5 107 107 A E H > S+ 0 0 51 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.949 113.0 45.8 -43.3 -64.9 -15.1 44.8 -7.4 108 108 A F H X S+ 0 0 0 -4,-3.4 4,-2.8 2,-0.2 -2,-0.2 0.885 117.2 45.2 -47.3 -51.5 -16.7 44.5 -10.8 109 109 A E H X S+ 0 0 58 -4,-2.8 4,-2.3 2,-0.2 5,-0.2 0.941 112.3 48.1 -62.8 -58.8 -13.2 44.7 -12.6 110 110 A G H X S+ 0 0 1 -4,-3.6 4,-2.2 -5,-0.3 -2,-0.2 0.942 114.5 49.6 -43.2 -54.0 -11.4 42.2 -10.3 111 111 A R H X S+ 0 0 47 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.926 109.0 49.7 -53.7 -57.3 -14.4 39.8 -10.7 112 112 A V H X S+ 0 0 0 -4,-2.8 4,-0.9 -5,-0.2 -1,-0.2 0.862 110.4 51.1 -56.0 -31.9 -14.5 40.0 -14.5 113 113 A A H X S+ 0 0 0 -4,-2.3 4,-1.0 2,-0.2 3,-0.4 0.925 106.5 55.2 -67.1 -39.0 -10.8 39.4 -14.7 114 114 A K H < S+ 0 0 87 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.854 113.2 41.5 -55.0 -39.2 -11.2 36.3 -12.5 115 115 A E H < S+ 0 0 55 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.487 100.5 69.0 -92.5 -12.7 -13.8 34.8 -14.8 116 116 A S H < S+ 0 0 0 -4,-0.9 -30,-2.4 -3,-0.4 -1,-0.2 0.681 84.6 94.5 -76.1 -17.5 -12.0 35.7 -18.0 117 117 A F B < -L 85 0D 14 -4,-1.0 2,-0.5 -32,-0.2 -32,-0.2 -0.394 65.0-156.5 -62.2 140.7 -9.5 33.1 -16.9 118 118 A D > - 0 0 10 -34,-2.6 4,-2.4 1,-0.1 -34,-0.5 -0.936 11.4-176.3-124.4 119.5 -10.0 29.6 -18.3 119 119 A E H > S+ 0 0 37 -2,-0.5 4,-1.7 2,-0.2 5,-0.2 0.889 81.2 54.3 -82.7 -29.5 -8.6 26.8 -16.4 120 120 A E H >> S+ 0 0 33 2,-0.2 4,-2.7 1,-0.2 3,-0.6 0.995 114.4 45.0 -62.9 -51.2 -9.3 23.9 -18.6 121 121 A K H 3> S+ 0 0 79 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.857 110.7 52.4 -52.4 -49.2 -7.5 25.7 -21.4 122 122 A G H 3X S+ 0 0 0 -4,-2.4 4,-1.9 -38,-0.2 -1,-0.2 0.797 110.3 51.3 -55.2 -27.1 -4.6 26.8 -19.2 123 123 A F H X S+ 0 0 28 -4,-2.5 3,-2.0 -5,-0.3 4,-1.0 0.952 107.3 49.4 -78.3 -48.2 9.1 15.7 -23.5 135 135 A R H >< S+ 0 0 117 -4,-3.1 3,-0.6 1,-0.3 4,-0.4 0.894 108.0 61.6 -56.4 -31.1 9.4 14.7 -27.1 136 136 A A T 3< S+ 0 0 2 -4,-2.5 14,-0.3 1,-0.2 -1,-0.3 0.526 109.8 38.2 -70.3 -4.1 12.4 17.1 -27.2 137 137 A L T X4 S+ 0 0 0 -3,-2.0 3,-1.3 -5,-0.1 -1,-0.2 0.587 86.0 97.7-119.3 -1.6 14.2 15.2 -24.6 138 138 A E T << S+ 0 0 90 -4,-1.0 -2,-0.1 -3,-0.6 -3,-0.1 0.762 105.4 13.2 -56.9 -36.4 13.4 11.6 -25.6 139 139 A N T 3 S+ 0 0 96 -4,-0.4 2,-1.0 6,-0.1 -1,-0.3 0.110 98.5 116.1-121.6 5.7 16.6 11.0 -27.5 140 140 A A < - 0 0 0 -3,-1.3 51,-1.5 1,-0.1 52,-0.2 -0.753 36.3-179.1-100.8 96.3 18.6 14.0 -26.4 141 141 A H S S+ 0 0 125 -2,-1.0 2,-0.3 49,-0.2 -1,-0.1 0.430 71.0 30.1 -79.0 1.4 21.7 13.0 -24.4 142 142 A D S > S- 0 0 81 47,-0.1 4,-1.7 1,-0.1 47,-0.1 -0.960 90.6-103.7-140.6 167.8 22.9 16.5 -23.8 143 143 A E H > S+ 0 0 49 45,-0.4 4,-3.5 -2,-0.3 5,-0.3 0.945 115.7 57.6 -63.0 -41.2 21.1 19.8 -23.3 144 144 A S H > S+ 0 0 68 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.932 104.1 50.8 -35.4 -64.0 22.0 21.1 -26.8 145 145 A A H > S+ 0 0 28 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.928 113.9 49.2 -51.6 -39.1 20.4 18.2 -28.5 146 146 A Y H X S+ 0 0 0 -4,-1.7 4,-3.3 1,-0.2 -2,-0.2 0.998 111.8 44.1 -57.5 -67.3 17.4 19.0 -26.4 147 147 A L H X S+ 0 0 26 -4,-3.5 4,-2.8 1,-0.2 -1,-0.2 0.803 113.3 52.4 -52.2 -34.1 17.1 22.7 -27.1 148 148 A D H X S+ 0 0 87 -4,-2.8 4,-1.5 -5,-0.3 -1,-0.2 0.970 112.0 45.5 -62.2 -52.4 17.7 22.1 -30.7 149 149 A N H X S+ 0 0 45 -4,-2.3 4,-2.0 -5,-0.2 5,-0.3 0.883 113.5 51.3 -49.2 -57.0 14.9 19.6 -30.8 150 150 A L H X S+ 0 0 0 -4,-3.3 4,-2.4 -14,-0.3 5,-0.2 0.982 107.1 51.0 -39.7 -69.7 12.7 21.9 -28.8 151 151 A K H X S+ 0 0 69 -4,-2.8 4,-2.4 -5,-0.2 5,-0.3 0.878 108.9 54.1 -43.7 -38.7 13.3 24.8 -31.1 152 152 A K H X S+ 0 0 138 -4,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.933 110.0 43.0 -67.0 -46.9 12.3 22.6 -34.1 153 153 A E H X S+ 0 0 65 -4,-2.0 4,-2.9 -3,-0.2 5,-0.2 0.940 114.9 52.0 -59.4 -45.6 8.9 21.4 -32.9 154 154 A L H <>S+ 0 0 5 -4,-2.4 5,-2.7 -5,-0.3 4,-0.4 0.963 112.9 43.1 -56.1 -61.4 8.1 24.9 -31.6 155 155 A A H <5S+ 0 0 44 -4,-2.4 3,-0.5 -5,-0.2 -1,-0.2 0.823 112.0 56.4 -45.8 -41.5 8.9 26.5 -35.0 156 156 A N H <5S+ 0 0 119 -4,-1.9 -2,-0.2 -5,-0.3 -1,-0.2 0.932 111.1 41.0 -66.1 -41.1 7.1 23.7 -36.7 157 157 A G T <5S- 0 0 61 -4,-2.9 -1,-0.2 -3,-0.3 -2,-0.2 0.348 111.3-122.1 -78.9 2.8 3.8 24.4 -34.8 158 158 A N T 5 + 0 0 148 -3,-0.5 2,-0.3 -4,-0.4 -3,-0.2 0.890 49.8 178.3 55.5 41.4 4.4 28.1 -35.2 159 159 A D > < - 0 0 39 -5,-2.7 3,-2.1 -6,-0.2 4,-0.3 -0.559 38.8-135.3 -86.1 134.9 4.3 28.4 -31.5 160 160 A A G > S+ 0 0 36 68,-0.3 3,-1.5 -2,-0.3 69,-0.2 0.801 101.6 71.6 -58.5 -26.7 4.9 31.7 -29.7 161 161 A L G > S+ 0 0 1 1,-0.3 3,-2.5 67,-0.2 -1,-0.3 0.869 79.4 77.7 -59.0 -28.2 7.2 29.9 -27.3 162 162 A R G < S+ 0 0 91 -3,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.840 91.4 52.3 -45.3 -38.2 9.7 29.6 -30.1 163 163 A N G < S+ 0 0 139 -3,-1.5 -1,-0.3 -4,-0.3 2,-0.2 0.373 79.9 128.5 -90.0 5.2 10.7 33.2 -29.7 164 164 A E < - 0 0 52 -3,-2.5 4,-0.1 -4,-0.2 -3,-0.0 -0.408 67.7 -99.8 -63.3 128.5 11.4 33.1 -26.0 165 165 A D - 0 0 124 -2,-0.2 6,-0.3 1,-0.1 3,-0.3 0.256 29.1-120.0 -25.3 159.1 14.6 34.4 -24.7 166 166 A A S S+ 0 0 62 1,-0.3 -1,-0.1 5,-0.1 -2,-0.1 0.700 115.6 44.4-109.1 -10.0 17.4 31.8 -23.9 167 167 A R S S+ 0 0 193 4,-0.1 -1,-0.3 5,-0.0 -2,-0.1 0.012 93.3 127.5 -91.5 9.5 17.7 32.6 -20.3 168 168 A S S > S- 0 0 5 -3,-0.3 4,-3.3 1,-0.1 3,-0.5 -0.443 78.8-109.3 -61.6 150.8 13.9 32.7 -20.3 169 169 A P T 4 S+ 0 0 45 0, 0.0 4,-0.3 0, 0.0 -89,-0.1 0.788 118.7 54.0 -43.5 -40.2 12.0 30.7 -17.6 170 170 A F T 4 S+ 0 0 0 2,-0.2 4,-0.3 1,-0.1 3,-0.2 0.848 114.3 35.7 -66.8 -42.3 10.9 28.4 -20.5 171 171 A Y T >4 S+ 0 0 12 -3,-0.5 3,-0.5 -6,-0.3 4,-0.5 0.894 117.5 51.8 -83.2 -39.8 14.3 27.6 -21.9 172 172 A S T 3X S+ 0 0 0 -4,-3.3 4,-1.5 1,-0.2 5,-0.2 0.610 83.0 98.8 -60.4 -10.9 16.1 27.5 -18.6 173 173 A A H 3> S+ 0 0 16 -4,-0.3 4,-1.3 -5,-0.2 -1,-0.2 0.919 83.7 39.5 -61.2 -44.7 13.7 25.1 -17.1 174 174 A L H X4 S+ 0 0 0 -3,-0.5 3,-0.8 -4,-0.3 6,-0.2 0.967 116.5 47.8 -68.6 -49.2 15.6 21.9 -17.5 175 175 A R H 34 S+ 0 0 44 -4,-0.5 -1,-0.2 1,-0.2 -2,-0.2 0.669 114.0 55.8 -61.4 -14.5 19.2 23.2 -16.7 176 176 A N H 3< S+ 0 0 74 -4,-1.5 -1,-0.2 -7,-0.1 -2,-0.2 0.759 79.3 95.1 -98.7 -14.1 17.5 24.7 -13.8 177 177 A T S XX S- 0 0 7 -4,-1.3 3,-2.1 -3,-0.8 4,-0.6 -0.563 73.0-138.5 -70.6 118.6 15.9 21.8 -12.2 178 178 A P T 34 S+ 0 0 56 0, 0.0 3,-0.5 0, 0.0 4,-0.2 0.886 100.5 58.3 -47.3 -44.9 18.2 20.6 -9.5 179 179 A S T >4 S+ 0 0 12 135,-0.2 3,-1.7 1,-0.2 8,-0.7 0.877 93.4 69.3 -53.9 -28.7 17.8 16.9 -10.2 180 180 A F T <4 S+ 0 0 5 -3,-2.1 8,-3.0 1,-0.2 7,-0.4 0.950 98.3 51.0 -44.5 -55.2 19.0 17.5 -13.9 181 181 A K T 3< S+ 0 0 87 -4,-0.6 2,-0.3 -3,-0.5 -1,-0.2 0.326 92.1 116.5 -61.5 -0.7 22.5 18.2 -12.6 182 182 A E < - 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0 0 49 30,-2.8 4,-2.1 -2,-0.5 5,-0.1 -0.596 20.9-177.3 -75.5 98.8 -12.3 6.7 -26.1 419 87 B E H > S+ 0 0 72 -2,-1.5 4,-2.1 1,-0.2 5,-0.3 0.901 80.5 50.6 -65.8 -35.4 -12.0 3.5 -27.9 420 88 B D H > S+ 0 0 96 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.891 107.3 52.4 -76.9 -27.1 -8.3 3.3 -27.3 421 89 B R H > S+ 0 0 33 2,-0.1 4,-2.5 3,-0.1 5,-0.3 0.981 113.7 46.3 -61.9 -49.0 -8.6 3.9 -23.6 422 90 B F H >X S+ 0 0 15 -4,-2.1 4,-2.9 2,-0.2 3,-0.6 0.977 107.8 51.8 -56.6 -69.2 -11.1 1.1 -23.4 423 91 B K H 3X S+ 0 0 97 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.879 114.8 49.2 -30.9 -44.4 -9.3 -1.6 -25.5 424 92 B N H 3<>S+ 0 0 84 -4,-1.3 5,-1.0 -5,-0.3 -1,-0.2 0.891 107.1 45.8 -87.7 -27.7 -6.3 -0.9 -23.3 425 93 B E H XX5S+ 0 0 53 -4,-2.5 3,-1.1 -3,-0.6 4,-0.7 0.939 108.3 67.0 -66.3 -35.3 -7.6 -1.1 -19.8 426 94 B L H 3<5S+ 0 0 35 -4,-2.9 2,-0.4 -5,-0.3 -2,-0.2 0.922 115.1 21.8 -44.6 -59.8 -9.3 -4.2 -21.2 427 95 B K T 3<5S+ 0 0 149 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.1 -0.545 133.5 27.3-127.2 99.9 -6.2 -5.9 -21.6 428 96 B N T <45S+ 0 0 106 -3,-1.1 -3,-0.2 1,-0.6 -2,-0.1 -0.298 104.2 85.0 173.3 -40.3 -3.4 -4.6 -19.4 429 97 B G S < - 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0 0 9 -34,-2.4 4,-2.6 -2,-0.3 -34,-0.3 -0.951 9.5-173.5-122.1 103.9 -15.9 11.7 -22.2 451 119 B E H > S+ 0 0 33 -2,-0.4 4,-3.2 2,-0.2 5,-0.2 0.949 82.5 54.8 -68.2 -45.7 -18.7 14.1 -21.3 452 120 B E H > S+ 0 0 6 1,-0.2 4,-3.3 2,-0.2 -1,-0.2 0.910 113.3 42.2 -53.6 -45.8 -17.0 17.3 -22.4 453 121 B K H > S+ 0 0 79 2,-0.2 4,-2.8 3,-0.2 5,-0.2 0.916 110.3 56.7 -76.2 -33.3 -16.3 16.0 -25.8 454 122 B G H X S+ 0 0 0 -4,-2.6 4,-2.1 -38,-0.2 -2,-0.2 0.962 115.8 39.2 -50.7 -51.2 -19.8 14.4 -26.1 455 123 B F H X S+ 0 0 0 -4,-3.2 4,-2.9 2,-0.2 -2,-0.2 0.912 110.9 55.8 -61.3 -52.6 -21.1 17.9 -25.4 456 124 B Q H X S+ 0 0 81 -4,-3.3 4,-2.1 -5,-0.2 5,-0.2 0.950 112.2 45.9 -46.5 -46.6 -18.6 19.8 -27.5 457 125 B R H X S+ 0 0 42 -4,-2.8 4,-2.7 2,-0.2 -2,-0.2 0.915 109.7 52.3 -60.1 -45.8 -19.6 17.6 -30.4 458 126 B A H X S+ 0 0 0 -4,-2.1 4,-2.4 -5,-0.2 -1,-0.2 0.931 112.5 48.6 -52.5 -42.3 -23.3 18.1 -29.7 459 127 B R H X S+ 0 0 53 -4,-2.9 4,-2.1 2,-0.2 -2,-0.2 0.834 107.9 51.6 -65.5 -40.8 -22.5 21.8 -29.7 460 128 B E H X S+ 0 0 111 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.944 111.5 47.8 -69.4 -44.3 -20.6 21.8 -33.0 461 129 B V H X S+ 0 0 2 -4,-2.7 4,-2.6 2,-0.2 5,-0.3 0.965 108.7 54.0 -58.2 -47.8 -23.4 20.0 -34.8 462 130 B A H X S+ 0 0 9 -4,-2.4 4,-2.9 1,-0.2 65,-0.2 0.899 107.1 52.9 -51.4 -44.1 -26.1 22.4 -33.3 463 131 B S H X S+ 0 0 50 -4,-2.1 4,-2.8 2,-0.2 -1,-0.2 0.966 108.8 48.7 -52.7 -52.9 -24.1 25.3 -34.7 464 132 B V H X S+ 0 0 19 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.980 112.2 47.6 -51.3 -60.5 -24.0 23.8 -38.2 465 133 B M H X S+ 0 0 0 -4,-2.6 4,-0.7 1,-0.2 5,-0.2 0.874 109.2 57.2 -50.4 -40.5 -27.8 23.1 -38.1 466 134 B N H >X S+ 0 0 35 -4,-2.9 4,-2.4 -5,-0.3 3,-1.5 0.978 106.9 45.7 -55.6 -54.1 -28.3 26.6 -36.9 467 135 B R H 3< S+ 0 0 116 -4,-2.8 5,-0.2 1,-0.2 -2,-0.2 0.979 108.7 59.1 -50.7 -48.7 -26.5 28.1 -39.9 468 136 B A H 3< S+ 0 0 2 -4,-2.6 -1,-0.2 -5,-0.2 13,-0.2 0.635 113.4 36.3 -55.6 -13.3 -28.5 25.8 -42.2 469 137 B L H X< S+ 0 0 0 -3,-1.5 3,-1.3 -4,-0.7 -1,-0.2 0.702 87.0 99.5-115.8 -25.6 -31.7 27.2 -41.0 470 138 B E T 3< S+ 0 0 83 -4,-2.4 3,-0.1 1,-0.3 53,-0.1 -0.348 106.7 4.8 -56.1 125.8 -31.0 30.8 -40.6 471 139 B N T 3 S+ 0 0 137 1,-0.2 2,-0.4 -2,-0.1 -1,-0.3 0.338 101.5 116.9 60.6 -6.5 -32.4 32.2 -43.8 472 140 B A < - 0 0 5 -3,-1.3 51,-1.4 -5,-0.2 -1,-0.2 -0.747 42.4-173.1 -72.5 144.3 -33.8 29.0 -45.0 473 141 B H + 0 0 105 -2,-0.4 2,-0.3 49,-0.2 -1,-0.1 0.365 64.6 40.7-117.5 -1.1 -37.6 29.4 -45.3 474 142 B D S > S- 0 0 72 47,-0.2 4,-1.3 1,-0.1 47,-0.1 -0.953 82.5-115.8-140.2 161.4 -38.6 25.8 -46.1 475 143 B E H >> S+ 0 0 44 45,-0.3 4,-2.2 -2,-0.3 3,-0.7 0.957 111.8 59.5 -64.2 -45.4 -37.4 22.4 -44.9 476 144 B S H 3> S+ 0 0 76 1,-0.3 4,-1.9 2,-0.2 5,-0.2 0.888 107.8 44.9 -41.5 -57.9 -36.1 21.4 -48.3 477 145 B A H 3> S+ 0 0 26 2,-0.2 4,-1.3 1,-0.2 -1,-0.3 0.747 108.8 58.0 -57.8 -29.5 -33.7 24.3 -48.4 478 146 B Y H <>S+ 0 0 4 -4,-2.2 5,-2.3 2,-0.2 3,-0.7 0.990 106.6 45.2 -71.3 -57.1 -21.4 18.9 -43.7 487 155 B A H ><5S+ 0 0 35 -4,-2.5 3,-2.2 3,-0.2 -2,-0.2 0.946 108.5 59.0 -50.5 -44.7 -19.5 17.8 -46.8 488 156 B N H 3<5S+ 0 0 107 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.867 113.3 36.9 -54.9 -32.7 -17.3 20.9 -46.6 489 157 B G T <<5S- 0 0 57 -4,-1.1 -1,-0.3 -3,-0.7 -2,-0.2 0.347 115.2-120.3 -93.5 11.4 -16.2 20.0 -43.2 490 158 B N T < 5 + 0 0 144 -3,-2.2 2,-0.6 -4,-0.2 -3,-0.2 0.939 48.6 172.2 38.0 65.3 -16.1 16.4 -44.2 491 159 B D > < - 0 0 31 -5,-2.3 3,-2.5 1,-0.1 4,-0.3 -0.826 37.0-145.8-100.3 126.3 -18.6 15.3 -41.6 492 160 B A G > S+ 0 0 44 -2,-0.6 3,-1.6 1,-0.3 69,-0.2 0.721 96.5 80.2 -62.2 -11.0 -19.8 11.7 -41.9 493 161 B L G > S+ 0 0 0 1,-0.3 3,-2.4 67,-0.2 -1,-0.3 0.862 77.2 78.9 -52.2 -36.0 -23.1 13.2 -40.5 494 162 B R G < S+ 0 0 99 -3,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.828 91.5 48.7 -32.5 -48.1 -23.4 14.1 -44.3 495 163 B N G < S+ 0 0 108 -3,-1.6 -1,-0.3 -4,-0.3 -2,-0.2 0.408 75.2 129.4 -96.1 14.2 -24.4 10.7 -45.1 496 164 B E S < S- 0 0 58 -3,-2.4 -3,-0.0 1,-0.1 4,-0.0 -0.214 72.0 -89.0 -58.4 150.0 -27.1 9.8 -42.7 497 165 B D > - 0 0 109 1,-0.1 3,-2.5 2,-0.1 6,-0.5 -0.227 35.1-118.4 -53.1 140.9 -30.4 8.4 -44.2 498 166 B A T 3 S+ 0 0 62 1,-0.3 -1,-0.1 5,-0.1 -2,-0.1 0.790 118.3 45.3 -62.1 -16.9 -32.8 11.2 -45.1 499 167 B R T 3 S+ 0 0 199 4,-0.1 -1,-0.3 5,-0.1 -2,-0.1 0.262 89.5 122.5 -94.7 1.3 -35.2 9.6 -42.6 500 168 B S S <> S- 0 0 9 -3,-2.5 4,-2.6 1,-0.1 5,-0.2 -0.205 82.2-103.6 -61.7 158.6 -32.5 9.2 -39.9 501 169 B P H > S+ 0 0 42 0, 0.0 4,-0.7 0, 0.0 -89,-0.2 0.912 121.1 54.3 -40.6 -45.1 -32.9 10.8 -36.5 502 170 B F H 4 S+ 0 0 1 2,-0.2 3,-0.3 1,-0.2 4,-0.2 0.902 114.0 32.8 -63.4 -48.9 -30.4 13.4 -37.7 503 171 B Y H >4 S+ 0 0 6 -6,-0.5 3,-0.5 1,-0.2 4,-0.4 0.887 119.4 52.6 -80.0 -36.2 -32.0 14.6 -40.8 504 172 B S H 3X S+ 0 0 3 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.577 80.5 100.8 -66.6 -8.5 -35.6 14.2 -39.6 505 173 B A H 3X S+ 0 0 15 -4,-0.7 4,-1.0 -3,-0.3 141,-0.2 0.825 86.2 36.6 -61.0 -30.7 -35.0 16.2 -36.3 506 174 B L H X4 S+ 0 0 0 -3,-0.5 3,-0.6 -4,-0.2 -1,-0.2 0.952 115.6 52.2 -76.4 -53.4 -36.5 19.5 -37.4 507 175 B R H 34 S+ 0 0 65 -4,-0.4 -2,-0.2 1,-0.3 -1,-0.1 0.901 110.9 51.6 -49.0 -43.4 -39.3 18.1 -39.5 508 176 B N H 3< S+ 0 0 75 -4,-2.5 -1,-0.3 4,-0.1 -2,-0.2 0.818 80.8 106.6 -73.2 -28.8 -40.3 16.0 -36.5 509 177 B T XX - 0 0 7 -4,-1.0 3,-1.3 -3,-0.6 4,-1.0 -0.200 65.7-141.4 -49.5 123.3 -40.4 18.8 -33.8 510 178 B P H >> S+ 0 0 55 0, 0.0 4,-1.4 0, 0.0 3,-1.4 0.972 100.6 55.0 -51.6 -50.1 -44.1 19.6 -32.8 511 179 B S H 34 S+ 0 0 7 1,-0.3 8,-0.4 2,-0.2 9,-0.2 0.692 96.1 65.0 -62.3 -16.3 -43.3 23.2 -32.6 512 180 B F H <4 S+ 0 0 6 -3,-1.3 8,-2.9 -6,-0.2 -1,-0.3 0.892 106.6 41.8 -70.3 -34.2 -42.0 23.4 -36.0 513 181 B K H << S+ 0 0 98 -3,-1.4 2,-0.2 -4,-1.0 -2,-0.2 0.690 87.9 111.5 -85.8 -21.4 -45.5 22.5 -37.5 514 182 B E ><> - 0 0 88 -4,-1.4 5,-1.3 3,-0.2 3,-1.2 -0.321 66.0-142.8 -41.1 112.7 -47.3 24.8 -35.0 515 183 B R T 3 5S+ 0 0 200 1,-0.2 -1,-0.2 -2,-0.2 3,-0.1 0.896 100.8 52.4 -50.2 -34.2 -48.8 27.8 -37.0 516 184 B N T 3 5S+ 0 0 133 1,-0.2 2,-0.3 2,-0.0 -1,-0.2 0.642 121.4 21.8 -86.6 -13.9 -48.0 30.0 -34.1 517 185 B G T < 5S+ 0 0 3 -3,-1.2 2,-1.2 -6,-0.1 3,-0.2 -0.937 133.5 1.0-150.5 129.6 -44.4 29.1 -33.7 518 186 B G T > 5 - 0 0 0 -2,-0.3 3,-1.5 6,-0.3 -6,-0.2 -0.589 69.5-163.2 102.5 -79.1 -42.2 27.6 -36.4 519 187 B N T 3 < - 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0 0 16 -4,-1.7 -4,-0.1 -5,-0.3 11,-0.0 -0.438 61.1-136.2 -74.7 153.1 5.8 -40.8 -35.2 762 98 C R - 0 0 224 -2,-0.2 -4,-0.1 10,-0.0 -3,-0.0 -0.917 14.9-125.5-121.4 116.0 3.3 -41.3 -32.5 763 99 C P - 0 0 50 0, 0.0 2,-0.1 0, 0.0 6,-0.1 -0.079 30.2-117.3 -51.0 149.8 3.0 -39.2 -29.4 764 100 C R > - 0 0 133 4,-0.1 3,-2.0 2,-0.0 8,-0.1 -0.429 56.3 -36.4 -66.2 160.4 3.2 -40.9 -26.0 765 101 C S T 3 S- 0 0 130 1,-0.3 0, 0.0 -2,-0.1 0, 0.0 0.287 124.1 -17.5 67.7-131.6 0.7 -41.1 -23.4 766 102 C G T 3 S+ 0 0 75 2,-0.0 -1,-0.3 0, 0.0 2,-0.1 0.034 94.7 148.6-107.2 35.8 -1.3 -38.1 -22.9 767 103 C E < - 0 0 36 -3,-2.0 2,-0.1 4,-0.1 3,-0.0 -0.349 40.2-137.5 -61.8 126.7 1.3 -36.0 -24.9 768 104 C T >> - 0 0 64 -2,-0.1 4,-2.8 1,-0.1 3,-1.6 -0.452 29.6-101.3 -73.1 164.5 -0.1 -33.0 -26.9 769 105 C R H 3> S+ 0 0 115 1,-0.3 4,-2.9 2,-0.2 5,-0.3 0.967 125.9 50.8 -45.6 -47.6 1.0 -32.3 -30.5 770 106 C A H 3> S+ 0 0 24 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.704 108.6 49.0 -69.5 -11.0 3.2 -29.5 -29.1 771 107 C E H <> S+ 0 0 57 -3,-1.6 4,-1.1 2,-0.2 -1,-0.2 0.803 111.1 51.7 -96.6 -27.7 4.7 -31.8 -26.5 772 108 C F H X S+ 0 0 2 -4,-2.8 4,-3.4 2,-0.2 3,-0.3 0.984 114.8 41.3 -51.4 -61.5 5.4 -34.3 -29.2 773 109 C E H X S+ 0 0 58 -4,-2.9 4,-1.9 1,-0.3 5,-0.2 0.882 112.4 53.0 -67.2 -35.6 7.1 -31.7 -31.5 774 110 C G H X S+ 0 0 1 -4,-1.1 4,-1.3 -5,-0.3 -1,-0.3 0.883 115.3 44.3 -64.8 -28.5 9.0 -30.0 -28.7 775 111 C R H X S+ 0 0 39 -4,-1.1 4,-2.5 -3,-0.3 -2,-0.2 0.920 108.7 51.4 -84.9 -44.3 10.3 -33.4 -27.8 776 112 C V H X S+ 0 0 0 -4,-3.4 4,-1.1 2,-0.2 -3,-0.2 0.932 107.5 58.4 -56.9 -41.1 11.2 -34.8 -31.2 777 113 C A H >X S+ 0 0 0 -4,-1.9 3,-1.7 -5,-0.2 4,-0.9 0.975 110.8 38.8 -44.2 -63.1 13.2 -31.7 -31.8 778 114 C K H 3< S+ 0 0 74 -4,-1.3 3,-0.4 1,-0.3 -1,-0.2 0.866 113.6 54.5 -69.6 -25.5 15.4 -32.2 -28.9 779 115 C E H 3< S+ 0 0 67 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.604 100.6 63.8 -76.8 -13.0 15.6 -35.8 -29.4 780 116 C S H << S+ 0 0 6 -3,-1.7 -30,-2.8 -4,-1.1 2,-0.2 0.654 83.2 93.5 -81.0 -23.2 16.8 -35.1 -33.1 781 117 C F E < -I 749 0M 24 -4,-0.9 2,-0.5 -3,-0.4 -32,-0.2 -0.499 64.6-151.0 -64.0 138.1 20.0 -33.4 -31.9 782 118 C D E > -I 748 0M 25 -34,-2.5 4,-1.7 -2,-0.2 -34,-0.6 -0.942 6.4-166.6-112.6 115.5 23.2 -35.4 -31.6 783 119 C E H > S+ 0 0 40 -2,-0.5 4,-2.2 2,-0.2 5,-0.2 0.939 86.1 52.4 -71.1 -38.7 25.6 -34.2 -29.0 784 120 C E H > S+ 0 0 31 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.974 110.8 46.3 -61.8 -53.1 28.5 -36.3 -30.1 785 121 C K H > S+ 0 0 102 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.874 112.0 52.3 -59.5 -30.1 28.3 -35.2 -33.8 786 122 C G H X S+ 0 0 1 -4,-1.7 4,-1.5 -38,-0.2 -1,-0.2 0.887 110.7 45.7 -75.3 -27.7 28.0 -31.6 -32.7 787 123 C F H X S+ 0 0 2 -4,-2.2 4,-2.7 -3,-0.2 -2,-0.2 0.971 113.9 52.3 -66.8 -49.1 31.1 -31.7 -30.4 788 124 C Q H X S+ 0 0 104 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.935 108.1 48.5 -45.7 -58.5 32.9 -33.5 -33.3 789 125 C R H X S+ 0 0 34 -4,-2.4 4,-2.1 1,-0.2 5,-0.2 0.861 109.3 54.3 -58.4 -35.4 32.0 -30.8 -35.9 790 126 C A H X S+ 0 0 0 -4,-1.5 4,-2.8 -5,-0.2 5,-0.2 0.952 109.6 46.8 -67.4 -40.0 33.1 -28.2 -33.5 791 127 C R H X S+ 0 0 54 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.939 110.8 52.1 -62.7 -42.4 36.6 -29.9 -33.1 792 128 C E H X S+ 0 0 93 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.970 114.2 43.2 -49.8 -58.9 37.0 -30.4 -36.9 793 129 C V H X S+ 0 0 4 -4,-2.1 4,-2.7 1,-0.2 5,-0.3 0.950 112.3 51.0 -56.5 -55.7 36.3 -26.7 -37.5 794 130 C A H X S+ 0 0 6 -4,-2.8 4,-2.4 -5,-0.2 -1,-0.2 0.860 109.9 51.8 -47.9 -34.5 38.4 -25.4 -34.6 795 131 C S H X S+ 0 0 44 -4,-2.0 4,-2.9 -5,-0.2 -2,-0.2 0.898 109.2 50.8 -75.2 -33.4 41.3 -27.6 -36.0 796 132 C V H X S+ 0 0 18 -4,-2.1 4,-2.3 -3,-0.2 -2,-0.2 0.881 112.1 46.3 -55.4 -49.0 40.8 -26.0 -39.5 797 133 C M H X S+ 0 0 0 -4,-2.7 4,-1.7 2,-0.2 -2,-0.2 0.877 110.2 54.1 -67.9 -36.8 40.9 -22.6 -37.9 798 134 C N H >X S+ 0 0 35 -4,-2.4 4,-2.4 -5,-0.3 3,-1.2 0.999 107.4 50.3 -56.5 -58.8 44.0 -23.6 -35.9 799 135 C R H 3< S+ 0 0 118 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.924 110.9 50.7 -43.5 -48.5 45.7 -24.7 -39.1 800 136 C A H 3< S+ 0 0 1 -4,-2.3 -1,-0.3 1,-0.2 13,-0.2 0.803 109.6 48.5 -64.9 -25.7 44.9 -21.4 -40.6 801 137 C L H X< S+ 0 0 0 -4,-1.7 3,-1.0 -3,-1.2 -1,-0.2 0.869 87.8 94.8 -86.5 -28.3 46.2 -19.4 -37.8 802 138 C E T 3< S+ 0 0 92 -4,-2.4 53,-0.1 1,-0.3 3,-0.1 -0.332 103.5 5.7 -52.9 122.0 49.5 -21.2 -37.6 803 139 C N T 3 S+ 0 0 149 1,-0.2 2,-0.3 -2,-0.1 -1,-0.3 0.997 100.0 119.3 47.8 61.0 51.9 -19.2 -39.7 804 140 C A < - 0 0 2 -3,-1.0 51,-2.1 5,-0.0 52,-0.2 -0.859 38.2-177.0-145.1 120.3 49.5 -16.3 -40.4 805 141 C H + 0 0 124 -2,-0.3 2,-0.3 49,-0.2 3,-0.1 0.348 68.3 30.3-110.0 6.5 50.8 -13.0 -39.0 806 142 C D S > S- 0 0 82 47,-0.1 4,-1.9 1,-0.1 3,-0.3 -0.991 86.9-105.4-155.4 161.2 47.8 -10.9 -39.9 807 143 C E H > S+ 0 0 41 45,-0.5 4,-3.2 -2,-0.3 5,-0.3 0.882 114.8 60.9 -53.9 -41.9 44.1 -11.5 -40.4 808 144 C S H > S+ 0 0 73 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.923 107.7 45.1 -46.6 -53.5 44.3 -11.4 -44.2 809 145 C A H >> S+ 0 0 27 -3,-0.3 4,-2.6 2,-0.2 3,-0.6 0.937 111.7 50.6 -55.2 -56.6 46.6 -14.3 -44.2 810 146 C Y H 3X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.951 112.9 48.7 -40.0 -56.9 44.5 -16.3 -41.6 811 147 C L H 3X S+ 0 0 33 -4,-3.2 4,-1.7 2,-0.2 -1,-0.2 0.757 110.5 49.7 -60.1 -29.1 41.4 -15.7 -43.7 812 148 C D H S+ 0 0 6 -4,-2.7 5,-2.5 2,-0.2 4,-1.0 0.905 109.8 50.0 -57.6 -51.2 37.3 -24.9 -46.7 819 155 C A H <5S+ 0 0 45 -4,-2.2 3,-0.4 -5,-0.3 -1,-0.2 0.940 111.5 50.9 -59.9 -39.7 37.0 -24.7 -50.5 820 156 C N H <5S+ 0 0 137 -4,-2.7 -2,-0.2 -5,-0.3 -1,-0.2 0.780 114.3 41.7 -64.9 -29.6 39.2 -27.7 -50.8 821 157 C G H <5S- 0 0 59 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.493 109.8-129.3 -92.1 -1.8 37.1 -29.7 -48.3 822 158 C N T <5 + 0 0 147 -4,-1.0 2,-0.3 -3,-0.4 -3,-0.2 0.890 45.5 174.8 56.2 47.1 34.1 -28.2 -50.0 823 159 C D > < - 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0 0 41 276,-0.2 2,-0.7 3,-0.1 276,-0.3 -0.078 33.1-174.4 -42.0 92.0 9.9 -65.5 -27.5 1041 45 D R B > S-T 1044 0P 40 3,-1.7 3,-0.8 274,-0.2 274,-0.2 -0.964 81.5 -31.9 -93.1 115.0 10.8 -69.0 -28.1 1042 46 D D T 3 S- 0 0 92 -2,-0.7 272,-0.0 1,-0.2 0, 0.0 -0.120 125.0 -34.6 42.6-148.7 10.0 -68.8 -31.7 1043 47 D G T 3 S+ 0 0 60 -3,-0.1 2,-0.4 2,-0.0 -1,-0.2 0.707 119.9 101.8 -59.9 -16.5 7.2 -66.4 -32.4 1044 48 D R B < S-T 1041 0P 162 -3,-0.8 -3,-1.7 -5,-0.1 2,-0.1 -0.502 70.0-136.5 -67.8 121.1 5.6 -67.5 -29.0 1045 49 D K - 0 0 72 -2,-0.4 2,-0.3 -5,-0.2 -9,-0.1 -0.481 33.7-166.2 -66.2 154.6 5.9 -65.4 -26.0 1046 50 D Q - 0 0 78 -11,-0.2 2,-0.4 -2,-0.1 -8,-0.1 -0.915 21.8-107.3-140.4 161.9 6.7 -67.6 -23.1 1047 51 D Q - 0 0 88 -2,-0.3 2,-0.1 -8,-0.1 -15,-0.0 -0.769 41.0-106.5 -90.0 138.8 6.8 -67.7 -19.3 1048 52 D M - 0 0 1 -2,-0.4 -41,-0.1 -41,-0.3 -1,-0.1 -0.380 47.3-127.4 -53.9 130.7 10.2 -67.8 -17.5 1049 53 D T > - 0 0 57 -2,-0.1 4,-1.3 1,-0.1 5,-0.2 -0.057 18.7 -95.8 -76.0-178.9 10.7 -71.3 -16.2 1050 54 D E H > S+ 0 0 104 2,-0.2 4,-2.2 1,-0.1 3,-0.4 0.994 121.7 37.8 -53.4 -58.2 11.5 -72.8 -12.9 1051 55 D E H > S+ 0 0 94 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.873 108.8 60.7 -76.5 -22.1 15.2 -73.1 -13.5 1052 56 D Q H > S+ 0 0 21 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.920 107.0 48.4 -58.2 -38.5 15.6 -69.9 -15.3 1053 57 D R H X S+ 0 0 14 -4,-1.3 4,-2.2 -3,-0.4 -2,-0.2 0.880 110.7 51.4 -69.2 -40.6 14.3 -68.2 -12.2 1054 58 D E H < S+ 0 0 62 -4,-2.2 4,-0.3 2,-0.2 -2,-0.2 0.984 113.3 43.5 -46.2 -67.2 16.8 -70.2 -10.2 1055 59 D W H >< S+ 0 0 41 -4,-2.8 3,-1.5 1,-0.2 -2,-0.2 0.865 114.3 50.8 -47.5 -53.2 19.8 -69.1 -12.5 1056 60 D L H >< S+ 0 0 2 -4,-3.0 3,-2.5 1,-0.2 6,-0.4 0.923 96.7 68.8 -51.8 -48.4 18.6 -65.5 -12.5 1057 61 D S T 3< S+ 0 0 0 -4,-2.2 218,-2.5 1,-0.3 -1,-0.2 0.628 83.0 79.8 -54.8 -11.6 18.3 -65.5 -8.7 1058 62 D Y T < S- 0 0 88 -3,-1.5 3,-0.4 -4,-0.3 2,-0.4 0.553 89.0-143.3 -78.5 -9.3 22.2 -65.7 -8.7 1059 63 D G S X> S+ 0 0 0 -3,-2.5 3,-0.8 1,-0.2 4,-0.7 -0.764 73.2 30.1 115.4-135.5 22.8 -62.0 -9.4 1060 64 D C T 34 S+ 0 0 24 -2,-0.4 4,-0.4 1,-0.2 3,-0.3 0.928 133.3 39.9 -24.1 -58.9 25.6 -60.3 -11.5 1061 65 D V T 3> S+ 0 0 5 -3,-0.4 4,-2.3 1,-0.2 5,-0.2 0.770 91.0 87.5 -66.2 -30.6 25.4 -63.6 -13.6 1062 66 D G H <> S+ 0 0 0 -3,-0.8 4,-2.6 -6,-0.4 5,-0.3 0.874 87.9 45.5 -58.5 -42.4 21.7 -64.5 -13.8 1063 67 D V H X S+ 0 0 2 207,-0.8 4,-2.4 -4,-0.7 5,-0.3 0.963 113.5 48.9 -71.3 -35.6 20.5 -62.6 -16.8 1064 68 D T H > S+ 0 0 1 -4,-0.4 4,-1.8 206,-0.2 6,-0.3 0.938 112.1 51.8 -58.0 -48.4 23.5 -63.7 -19.0 1065 69 D W H X>S+ 0 0 40 -4,-2.3 4,-0.8 1,-0.2 5,-0.5 0.849 114.3 40.5 -54.1 -48.2 22.9 -67.3 -17.9 1066 70 D V H <5S+ 0 0 2 -4,-2.6 3,-0.2 -5,-0.2 -1,-0.2 0.894 113.5 53.2 -71.6 -36.9 19.1 -67.3 -18.8 1067 71 D N H <5S+ 0 0 3 -4,-2.4 250,-0.2 -5,-0.3 -2,-0.2 0.843 118.8 35.5 -66.0 -30.2 19.5 -65.3 -22.0 1068 72 D S H <5S- 0 0 2 -4,-1.8 -1,-0.2 -5,-0.3 107,-0.2 0.533 100.4-125.1-101.9 -4.9 22.2 -67.8 -23.3 1069 73 D G T <5S+ 0 0 34 -4,-0.8 2,-0.4 -3,-0.2 -3,-0.2 0.562 81.5 79.0 75.4 4.3 21.0 -71.1 -22.0 1070 74 D Q S - 0 0 66 30,-2.3 4,-1.7 -2,-0.4 5,-0.2 -0.624 23.6-179.2 -74.5 92.7 47.3 -49.5 -24.8 1083 87 D E H > S+ 0 0 73 -2,-1.3 4,-1.8 2,-0.2 -1,-0.2 0.856 80.6 48.3 -64.1 -23.9 50.7 -51.2 -25.0 1084 88 D D H > S+ 0 0 102 2,-0.2 4,-2.6 3,-0.1 5,-0.3 0.978 109.3 44.1 -80.3 -66.1 52.2 -47.9 -25.6 1085 89 D R H > S+ 0 0 88 1,-0.2 4,-0.8 2,-0.2 -2,-0.2 0.820 117.1 54.6 -52.0 -22.6 50.7 -45.6 -22.8 1086 90 D F H X S+ 0 0 7 -4,-1.7 4,-2.3 2,-0.2 3,-0.3 0.961 110.6 38.6 -71.5 -54.5 51.4 -48.6 -20.5 1087 91 D K H < S+ 0 0 138 -4,-1.8 5,-0.3 -5,-0.2 -2,-0.2 0.909 114.7 57.5 -67.0 -31.0 55.1 -49.1 -21.2 1088 92 D N H < S+ 0 0 95 -4,-2.6 4,-0.3 1,-0.2 -1,-0.2 0.810 107.2 48.1 -61.5 -30.0 55.5 -45.3 -21.3 1089 93 D E H X S+ 0 0 49 -4,-0.8 4,-0.7 -3,-0.3 2,-0.7 0.823 96.2 81.1 -86.1 -27.4 54.1 -45.1 -17.8 1090 94 D L B < S-v 1093 0R 39 -4,-2.3 4,-0.1 1,-0.2 -1,-0.0 -0.575 118.2 -12.4 -71.0 120.7 56.3 -47.8 -16.5 1091 95 D K T 4 S+ 0 0 183 2,-1.1 -1,-0.2 -2,-0.7 -2,-0.1 0.408 133.9 64.4 60.8 -4.0 59.8 -46.2 -15.8 1092 96 D N T 4 S+ 0 0 150 -4,-0.3 2,-0.4 -5,-0.3 -1,-0.2 0.270 109.8 53.4-102.0 -3.9 59.0 -43.1 -17.5 1093 97 D G B < S-v 1090 0R 16 -4,-0.7 -2,-1.1 3,-0.0 -4,-0.1 -0.883 75.8-152.0-108.6 161.7 56.6 -42.9 -14.8 1094 98 D R - 0 0 229 -2,-0.4 -4,-0.0 -4,-0.1 7,-0.0 -0.983 35.4 -78.9-126.9 143.9 56.9 -43.2 -11.1 1095 99 D P - 0 0 38 0, 0.0 4,-0.2 0, 0.0 6,-0.1 -0.013 43.0-157.2 -34.5 106.2 54.5 -44.4 -8.2 1096 100 D R + 0 0 143 4,-0.1 3,-0.3 2,-0.1 8,-0.0 0.924 55.6 8.9 -54.4-103.3 51.9 -41.9 -7.2 1097 101 D S S S- 0 0 94 1,-0.3 7,-0.0 3,-0.0 0, 0.0 0.957 128.8 -28.4 -74.1 -79.4 50.2 -41.9 -3.7 1098 102 D G S S+ 0 0 74 2,-0.0 -1,-0.3 0, 0.0 2,-0.1 -0.148 104.5 165.2-102.7 39.3 51.4 -44.2 -1.0 1099 103 D E - 0 0 32 -3,-0.3 2,-0.1 -4,-0.2 3,-0.0 -0.324 36.8-166.2 -99.6 137.3 52.4 -46.3 -3.7 1100 104 D T > - 0 0 61 -2,-0.1 4,-2.2 1,-0.1 5,-0.2 -0.307 38.4-105.1 -85.4 176.4 54.7 -49.3 -4.4 1101 105 D R H > S+ 0 0 81 2,-0.2 4,-3.5 3,-0.2 5,-0.4 0.998 117.8 49.4 -64.0 -59.6 56.0 -50.7 -7.7 1102 106 D A H > S+ 0 0 28 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.798 118.1 41.8 -46.9 -33.6 53.7 -53.7 -7.9 1103 107 D E H > S+ 0 0 29 2,-0.2 4,-3.0 3,-0.2 5,-0.3 0.931 113.5 50.6 -82.9 -43.7 50.7 -51.5 -7.2 1104 108 D F H X S+ 0 0 3 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.957 117.0 42.7 -47.9 -52.9 51.8 -48.6 -9.5 1105 109 D E H X S+ 0 0 60 -4,-3.5 4,-2.7 -5,-0.2 -2,-0.2 0.933 110.8 56.8 -61.2 -46.0 52.3 -51.3 -12.2 1106 110 D G H X S+ 0 0 1 -4,-2.0 4,-2.2 -5,-0.4 -2,-0.2 0.898 114.7 38.3 -45.8 -48.4 48.9 -53.0 -11.2 1107 111 D R H X S+ 0 0 37 -4,-3.0 4,-2.9 2,-0.2 -2,-0.2 0.798 109.9 56.6 -86.7 -25.1 47.1 -49.8 -11.7 1108 112 D V H X S+ 0 0 0 -4,-2.7 4,-1.2 -5,-0.3 -2,-0.2 0.947 109.7 49.6 -61.7 -40.3 48.9 -48.6 -14.7 1109 113 D A H >X S+ 0 0 0 -4,-2.7 3,-1.0 -5,-0.2 4,-0.8 0.980 112.7 45.9 -55.6 -54.9 47.9 -51.9 -16.3 1110 114 D K H >< S+ 0 0 83 -4,-2.2 3,-1.5 1,-0.2 -2,-0.2 0.953 112.1 51.9 -45.5 -57.9 44.2 -51.3 -15.2 1111 115 D E H 3< S+ 0 0 84 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.647 102.6 62.4 -58.3 -18.4 44.4 -47.7 -16.5 1112 116 D S H << S+ 0 0 3 -4,-1.2 -30,-2.3 -3,-1.0 -1,-0.3 0.699 81.1 96.6 -87.2 -15.8 45.7 -49.0 -19.8 1113 117 D F B << -U 1081 0Q 29 -3,-1.5 2,-0.4 -4,-0.8 -32,-0.2 -0.408 58.4-156.4 -62.7 148.6 42.6 -51.1 -20.7 1114 118 D D > - 0 0 19 -34,-3.0 4,-2.9 1,-0.1 5,-0.2 -0.863 10.4-172.7-133.8 99.5 39.9 -49.5 -23.0 1115 119 D E H > S+ 0 0 35 -2,-0.4 4,-1.7 2,-0.2 5,-0.2 0.817 84.4 56.5 -67.5 -27.5 36.4 -50.9 -22.9 1116 120 D E H > S+ 0 0 29 2,-0.1 4,-2.7 1,-0.1 -1,-0.2 0.957 113.9 44.2 -60.2 -41.9 34.9 -48.9 -25.8 1117 121 D K H > S+ 0 0 83 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.959 110.2 51.0 -67.5 -46.5 37.7 -50.5 -27.9 1118 122 D G H X S+ 0 0 0 -4,-2.9 4,-2.7 -38,-0.3 5,-0.2 0.955 114.2 49.4 -56.8 -41.8 37.5 -54.1 -26.6 1119 123 D F H X S+ 0 0 1 -4,-1.7 4,-3.2 -5,-0.2 -1,-0.2 0.931 107.5 49.4 -55.9 -54.7 33.8 -53.8 -27.3 1120 124 D Q H X S+ 0 0 74 -4,-2.7 4,-3.1 2,-0.2 -2,-0.2 0.959 112.2 50.3 -62.0 -38.5 33.9 -52.5 -30.8 1121 125 D R H X S+ 0 0 47 -4,-2.4 4,-3.2 2,-0.2 5,-0.3 0.956 109.8 48.2 -54.8 -56.5 36.4 -55.2 -31.7 1122 126 D A H X S+ 0 0 0 -4,-2.7 4,-2.7 -5,-0.2 -1,-0.2 0.901 113.7 52.2 -48.2 -41.3 34.1 -57.9 -30.2 1123 127 D R H X S+ 0 0 52 -4,-3.2 4,-1.4 2,-0.2 -2,-0.2 0.885 108.9 46.6 -56.4 -45.9 31.4 -56.2 -32.2 1124 128 D E H >X S+ 0 0 92 -4,-3.1 4,-2.3 -5,-0.2 3,-0.5 0.993 114.3 48.7 -63.7 -55.9 33.4 -56.3 -35.5 1125 129 D V H 3X S+ 0 0 1 -4,-3.2 4,-2.9 1,-0.2 5,-0.2 0.909 109.7 51.4 -46.7 -46.9 34.3 -60.0 -34.8 1126 130 D A H 3X S+ 0 0 10 -4,-2.7 4,-2.6 -5,-0.3 65,-0.3 0.863 108.1 53.3 -65.5 -23.9 30.7 -60.9 -34.1 1127 131 D S H X S+ 0 0 37 -4,-2.6 4,-0.9 -5,-0.2 3,-0.8 0.892 109.1 43.0 -51.0 -47.0 27.3 -63.6 -38.1 1131 135 D R H 3< S+ 0 0 110 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.749 105.6 62.0 -81.3 -14.1 27.6 -63.3 -41.8 1132 136 D A H 3< S+ 0 0 0 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.781 100.1 62.1 -56.9 -27.2 29.6 -66.4 -42.0 1133 137 D L H << S+ 0 0 0 -4,-1.0 3,-0.2 -3,-0.8 -2,-0.2 0.872 84.0 86.4 -71.6 -45.0 26.4 -68.0 -40.6 1134 138 D E S < S+ 0 0 105 -4,-0.9 3,-0.1 1,-0.3 2,-0.1 -0.230 99.0 9.1 -81.3 150.7 24.0 -67.3 -43.3 1135 139 D N S S+ 0 0 143 1,-0.2 2,-0.8 52,-0.1 -1,-0.3 0.021 101.2 118.7 66.4 -31.2 23.6 -69.5 -46.3 1136 140 D A + 0 0 0 -3,-0.2 51,-2.0 -5,-0.2 -1,-0.2 -0.524 35.5 169.9 -77.7 110.7 25.8 -71.8 -44.3 1137 141 D H + 0 0 114 -2,-0.8 2,-0.3 49,-0.2 -1,-0.2 0.205 64.6 35.6-105.3 8.1 23.8 -75.0 -43.6 1138 142 D D S > S- 0 0 85 47,-0.1 4,-1.6 1,-0.1 5,-0.2 -0.969 91.2-103.7-147.6 170.7 26.6 -77.1 -42.2 1139 143 D E H > S+ 0 0 46 45,-0.3 4,-2.6 -2,-0.3 5,-0.2 0.944 118.0 56.7 -64.0 -36.3 29.6 -76.3 -40.0 1140 144 D S H >>S+ 0 0 87 1,-0.2 4,-2.9 2,-0.2 5,-0.5 0.959 102.7 52.0 -52.6 -59.3 31.9 -76.5 -43.0 1141 145 D A H >5S+ 0 0 30 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.880 114.5 44.7 -42.6 -47.0 30.1 -73.9 -45.0 1142 146 D Y H X5S+ 0 0 0 -4,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.876 113.2 49.0 -65.7 -43.1 30.3 -71.4 -42.0 1143 147 D L H X5S+ 0 0 34 -4,-2.6 4,-2.9 2,-0.2 -2,-0.2 0.881 116.4 41.4 -69.4 -45.7 34.0 -72.2 -41.1 1144 148 D D H X5S+ 0 0 78 -4,-2.9 4,-1.2 -5,-0.2 5,-0.3 0.873 112.7 56.8 -66.7 -34.4 35.2 -71.7 -44.7 1145 149 D N H XS+ 0 0 4 -4,-2.0 5,-1.1 1,-0.2 8,-0.3 0.670 104.9 61.4 -78.8 -26.1 38.5 -62.9 -42.1 1151 155 D A H 45S+ 0 0 50 -5,-0.2 -2,-0.2 -3,-0.2 -1,-0.2 0.680 96.4 56.9 -83.6 -19.9 40.9 -62.9 -45.1 1152 156 D N H <5S+ 0 0 147 -4,-1.0 -2,-0.2 -3,-0.1 -1,-0.1 0.929 112.5 45.0 -76.4 -47.1 39.4 -59.8 -46.8 1153 157 D G T <5S- 0 0 38 -4,-1.0 -3,-0.0 -5,-0.1 0, 0.0 -0.147 105.1-114.9 -63.3-176.4 40.1 -57.9 -43.7 1154 158 D N T 5 + 0 0 158 -2,-0.0 2,-0.6 4,-0.0 -3,-0.1 -0.021 50.7 164.2-126.0 39.5 43.6 -58.7 -42.4 1155 159 D D > < - 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0 0 1 -3,-1.1 3,-2.3 -4,-0.8 4,-0.8 -0.666 67.4-145.0 -68.3 113.4 27.9 -74.1 -27.8 1174 178 D P G >4 S+ 0 0 60 0, 0.0 3,-1.6 0, 0.0 4,-0.3 0.929 96.4 58.2 -43.8 -63.3 25.4 -76.8 -26.4 1175 179 D S G >4 S+ 0 0 7 1,-0.2 3,-0.6 -107,-0.2 8,-0.5 0.634 95.1 67.0 -39.3 -22.7 22.4 -75.1 -28.1 1176 180 D F G <4 S+ 0 0 2 -3,-2.3 8,-2.1 1,-0.2 7,-0.6 0.950 100.7 45.7 -70.7 -44.7 24.0 -75.4 -31.6 1177 181 D K B << S+W 1182 0S 85 -3,-1.6 2,-0.3 -4,-0.8 -1,-0.2 0.402 91.6 112.8 -73.8 4.1 23.9 -79.2 -31.7 1178 182 D E < - 0 0 77 3,-0.8 5,-0.5 -3,-0.6 3,-0.3 -0.572 63.3-145.3 -93.1 138.7 20.3 -79.4 -30.5 1179 183 D R S S+ 0 0 196 -2,-0.3 -1,-0.2 1,-0.2 3,-0.1 0.995 105.2 59.9 -52.0 -55.2 17.3 -80.6 -32.5 1180 184 D N S S+ 0 0 132 1,-0.1 2,-0.3 -3,-0.1 -1,-0.2 0.835 125.6 0.9 -25.9 -53.6 15.4 -78.1 -30.6 1181 185 D G S S+ 0 0 15 -3,-0.3 2,-2.0 -6,-0.1 -3,-0.8 -0.997 130.6 0.9-155.3 150.9 17.6 -75.2 -31.9 1182 186 D G B > -W 1177 0S 3 6,-0.5 3,-0.9 -2,-0.3 6,-0.2 -0.473 66.6-162.7 72.7 -81.0 20.6 -75.0 -34.3 1183 187 D N T 3 S- 0 0 40 -2,-2.0 -6,-0.2 -7,-0.6 -1,-0.2 0.944 72.1 -53.9 67.8 46.0 20.7 -78.7 -35.1 1184 188 D H T 3 S+ 0 0 109 -8,-2.1 -45,-0.3 -3,-0.3 -1,-0.2 0.537 115.0 120.6 59.9 9.7 24.2 -78.6 -36.5 1185 189 D D X - 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