NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *0 G 3.6559 8.3544 109.7364 45.2698 0.0000 174.6169 *2 N 4.3990 8.1642 118.5750 53.4156 39.9941 175.0937 3 K 4.0036 8.4674 128.4701 58.9809 32.2190 179.3253 4 K 3.9510 8.1211 120.1739 59.7099 32.2893 178.8643 5 T 3.9234 8.1171 109.8808 64.5742 68.7280 176.4518 6 Q 3.9363 8.3395 122.7212 58.8874 29.0860 177.9134 7 L 3.9481 8.1943 121.5983 58.2573 42.1108 178.8770 8 L 4.0065 8.1014 118.8750 57.9071 41.3118 179.4527 9 E 3.9551 7.9307 117.4607 59.4102 29.6800 179.3334 10 V 3.7547 7.9913 118.5778 65.7972 31.6673 178.0072 11 I 3.6913 7.9406 112.7815 64.1672 37.0591 178.0870 12 A 4.0349 7.9288 121.2291 54.3018 18.2598 178.4753 13 A 4.3142 7.4215 116.3734 51.3806 19.2188 177.0845 14 L 4.1353 7.2869 120.8875 53.6316 42.9943 175.0790 15 P 4.3817 0.0000 0.0000 62.2797 32.3332 176.6356 16 E 3.9087 9.0644 122.2421 60.0400 29.1415 179.3734 17 E 4.1300 8.1679 116.0734 58.1836 30.0140 177.8806 18 L 4.5344 8.0622 118.2122 54.6054 42.3950 178.4649 19 V 3.5915 7.5728 119.5144 66.0749 31.4774 177.4036 20 D 4.3631 8.0956 118.0815 57.4708 40.7372 178.2759 21 Q 3.9822 8.1849 119.1939 59.4053 29.0049 178.3625 22 A 4.1048 8.0138 121.4176 54.9616 18.3765 179.5705 23 L 3.9710 8.2761 117.9960 58.1575 41.5221 179.5124 24 N 4.3645 8.4241 115.4507 56.3494 38.5333 176.5171 25 Y 4.1877 7.9353 119.9059 60.8644 39.2374 178.1499 26 V 3.6984 8.0745 119.1378 65.6530 31.6403 178.1640 27 Q 3.7273 8.0033 116.7615 56.7472 28.6068 177.8513 *29 L 4.0700 7.8331 119.4322 54.2234 43.3953 178.1008 30 Q 4.1565 7.7589 114.7203 56.5014 29.1796 175.8277 31 N 4.2959 7.6372 117.2317 53.1700 39.3774 172.7531 32 P 4.3326 0.0000 0.0000 65.1752 32.6653 175.7698 33 I 4.6454 8.2321 120.7399 59.7486 38.3873 175.5336 34 Q 4.6985 9.2003 126.0974 54.0152 32.4235 174.8290 35 I 4.7783 8.2420 122.3622 59.9180 40.2943 174.6561 36 T 4.6634 8.2906 120.7359 59.7355 70.4686 172.8197 37 P 4.2659 0.0000 0.0000 65.4248 31.4969 177.4683 38 G 3.9355 7.9689 104.1283 45.3167 0.0000 173.2644 39 V 4.3215 7.1147 119.7798 62.1596 34.3579 174.9728 40 C 3.8889 9.4151 123.4476 61.0249 25.6447 173.2872 41 G 4.0856 9.2009 103.2438 46.7636 0.0000 175.2858 42 G 4.1353 8.1473 104.8703 45.4714 0.0000 174.6683 43 Q 4.4682 7.8715 117.8680 54.7824 29.9483 175.9404 44 A 4.2937 8.5413 124.1450 52.3159 19.6626 176.7909 45 R 4.9863 8.7073 117.8014 54.4108 34.2899 174.0214 46 I 4.3916 8.1689 120.6163 60.2836 38.2143 176.0091 47 R 3.8326 8.6986 127.3304 58.3275 30.2323 175.5993 48 N 4.3133 9.0172 119.9597 54.0449 35.9220 173.4333 49 T 4.7453 7.6713 107.0788 60.3876 72.0340 173.4683 50 R 4.4814 8.2396 118.4427 55.9046 30.8825 176.9709 51 I 4.0302 7.6134 120.5314 58.9823 37.6747 174.1994 52 P 4.6883 0.0000 0.0000 61.7624 32.2221 177.7153 53 V 3.5260 8.4534 122.1721 66.2983 31.2245 178.7107 54 W 4.3280 8.2038 115.8613 59.7247 27.9124 178.2907 55 T 3.2461 7.0071 110.6796 64.2910 68.1425 176.8113 56 L 4.2511 7.6809 121.4246 57.5114 41.6987 179.3752 57 V 3.5607 8.2281 118.1343 65.8950 31.5129 177.9088 58 A 3.9715 8.2022 120.5452 55.3974 18.2444 179.2435 59 Y 4.2044 7.9249 115.2024 61.2810 37.9998 178.6698 60 R 4.0392 8.2872 119.6596 59.7053 29.8933 178.5237 61 Q 4.0750 8.2503 116.6096 58.0797 28.7458 177.4291 62 Q 4.4696 7.6531 117.4772 55.6407 28.9472 176.3576 63 G 3.8795 7.9783 108.3147 44.9645 0.0000 173.6878 64 A 4.0921 7.8933 123.6284 51.1029 18.6735 176.5753 65 P 4.6806 0.0000 0.0000 61.8412 33.0860 176.8858 66 D 4.5926 8.8651 118.7687 57.6351 40.5847 179.3496 67 K 4.0236 8.0572 118.7279 59.8406 32.5167 178.7552 68 E 3.8195 8.0388 120.1908 59.0651 29.5870 178.7279 69 L 3.9488 7.8902 118.5307 57.9261 41.5333 179.4200 70 L 4.0604 7.8440 117.6787 57.4572 41.6026 179.0773 71 A 4.0652 7.6952 120.2789 55.1460 18.3936 179.1608 72 N 4.1979 7.8249 114.1247 54.8343 39.7588 175.2411 73 Y 4.7452 7.3122 118.4933 54.8979 38.1093 174.1857 74 P 4.5318 0.0000 0.0000 64.0494 31.8217 178.6494 75 G 3.7160 7.9358 107.8162 47.7501 0.0000 174.3500 76 L 4.4055 7.9098 119.9190 54.5444 42.6273 176.5412 77 T 4.6244 8.4357 111.1775 59.4377 72.6964 175.2367 78 A 3.9719 8.3448 122.4340 55.4084 18.3372 179.6101 79 E 3.8686 8.1443 116.5285 59.6082 29.4510 179.1915 80 D 4.2365 7.8269 118.6642 57.3056 40.8593 178.9098 81 L 3.1071 7.4645 118.8851 57.4097 41.5880 179.3102 82 S 3.9638 8.0723 113.2027 61.3996 62.2349 176.1788 83 A 4.0047 7.9833 123.0533 54.9616 18.0648 179.2678 84 A 3.9672 7.8296 119.4211 55.3270 18.3906 179.9785 85 W 4.7200 7.9845 117.3963 60.3358 29.1321 178.2935 86 H 4.2738 8.6500 118.3087 59.4341 29.3210 176.6278 87 Y 3.9277 8.6762 121.8377 60.8217 38.3738 177.4709 88 Y 4.3827 8.6285 120.5615 60.8996 38.7452 177.6382 89 E 3.7934 8.1620 118.9840 59.1409 29.7417 178.2357 90 Q 4.1408 7.5688 116.6250 56.6783 30.3966 175.6307 91 N 4.9735 7.7865 117.0882 51.0524 39.5547 174.0638 92 P 4.0812 0.0000 0.0000 65.4325 31.8939 177.9498 93 E 3.9445 8.0250 117.9948 58.9565 29.3195 178.8005 94 Q 3.9531 8.0484 119.0185 59.4300 29.2251 178.3651 95 I 3.8978 7.8199 120.2201 64.6246 37.1740 178.1636 96 D 4.4647 8.4985 119.7696 57.5619 40.4089 179.1553 97 R 3.8759 7.7893 117.6462 59.2259 30.0860 178.6668 98 E 3.7029 7.5967 117.5523 59.1135 29.4219 179.1372 99 I 3.4432 7.4635 118.9094 63.1427 37.5773 176.9894 100 A 4.0570 7.1768 121.1775 51.9885 18.8112 177.0965 101 Q 3.8713 8.3772 122.3625 56.4759 29.5011 177.0828 *102 D 4.4415 8.5974 120.1678 53.4883 40.5411 172.7740 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ *0 G 8.35 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *2 N 8.16 4.40 0.00 2.79 2.78 0.00 0.00 7.31 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 K 8.47 4.00 0.00 1.81 1.85 0.00 1.79 0.00 0.00 1.78 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.44 7.81 4 K 8.12 3.95 0.00 1.82 1.97 0.00 1.72 0.00 0.00 1.87 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.50 7.81 5 T 8.12 3.92 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 6 Q 8.34 3.94 0.00 2.31 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.83 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 7 L 8.19 3.95 0.00 1.90 1.88 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 8 L 8.10 4.01 0.00 1.91 1.71 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 9 E 7.93 3.96 0.00 2.39 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.19 0.00 10 V 7.99 3.75 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.93 0.00 0.00 11 I 7.94 3.69 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.47 0.98 0.00 0.00 12 A 7.93 4.03 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 A 7.42 4.31 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 L 7.29 4.14 0.00 1.82 1.60 0.91 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 15 P 0.00 4.38 0.00 2.26 1.95 0.00 3.68 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.07 0.00 16 E 9.06 3.91 0.00 2.07 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.51 0.00 17 E 8.17 4.13 0.00 1.96 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.46 0.00 18 L 8.06 4.53 0.00 1.73 1.67 0.91 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 19 V 7.57 3.59 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 1.03 0.00 0.00 20 D 8.10 4.36 0.00 2.74 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 Q 8.18 3.98 0.00 2.12 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 22 A 8.01 4.10 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 L 8.28 3.97 0.00 1.89 1.75 0.93 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 24 N 8.42 4.36 0.00 2.86 2.93 0.00 0.00 7.04 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Y 7.94 4.19 0.00 2.96 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 V 8.07 3.70 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 1.09 0.00 0.00 27 Q 8.00 3.73 0.00 2.28 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.16 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 *29 L 7.83 4.07 0.00 1.74 1.63 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 30 Q 7.76 4.16 0.00 2.02 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.79 0.00 0.00 0.00 0.00 0.00 2.33 2.51 0.00 31 N 7.64 4.30 0.00 2.86 2.78 0.00 0.00 7.15 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.33 0.00 2.04 2.24 0.00 3.60 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.09 0.00 33 I 8.23 4.65 1.83 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.83 0.47 0.00 0.00 34 Q 9.20 4.70 0.00 1.80 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.75 0.00 0.00 0.00 0.00 0.00 2.19 2.38 0.00 35 I 8.24 4.78 1.88 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.53 0.96 0.00 0.00 36 T 8.29 4.66 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 37 P 0.00 4.27 0.00 2.09 2.12 0.00 3.73 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 38 G 7.97 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 V 7.11 4.32 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.92 0.00 0.00 40 C 9.42 3.89 0.00 3.17 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 G 9.20 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 G 8.15 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 Q 7.87 4.47 0.00 2.16 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.76 0.00 0.00 0.00 0.00 0.00 2.68 2.45 0.00 44 A 8.54 4.29 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 R 8.71 4.99 0.00 1.85 1.92 0.00 2.82 0.00 0.00 3.13 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.52 0.00 46 I 8.17 4.39 1.76 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.17 0.86 0.00 0.00 47 R 8.70 3.83 0.00 1.77 1.82 0.00 3.43 0.00 0.00 3.39 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 48 N 9.02 4.31 0.00 2.89 2.89 0.00 0.00 6.78 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 T 7.67 4.75 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 50 R 8.24 4.48 0.00 1.75 1.91 0.00 3.17 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 51 I 7.61 4.03 1.69 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.46 0.61 0.00 0.00 52 P 0.00 4.69 0.00 1.59 1.97 0.00 3.18 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.99 0.00 53 V 8.45 3.53 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.71 0.00 0.00 54 W 8.20 4.33 0.00 3.56 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 T 7.01 3.25 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 56 L 7.68 4.25 0.00 1.95 1.97 0.74 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 57 V 8.23 3.56 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.21 0.00 0.00 1.02 0.00 0.00 58 A 8.20 3.97 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 Y 7.92 4.20 0.00 3.30 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 R 8.29 4.04 0.00 1.62 1.79 0.00 2.21 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.23 0.00 61 Q 8.25 4.08 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.86 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 62 Q 7.65 4.47 0.00 2.26 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.64 0.00 0.00 0.00 0.00 0.00 2.59 2.53 0.00 63 G 7.98 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 A 7.89 4.09 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 P 0.00 4.68 0.00 2.25 2.20 0.00 3.72 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.98 0.00 66 D 8.87 4.59 0.00 2.81 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 K 8.06 4.02 0.00 1.97 2.08 0.00 1.50 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.49 7.81 68 E 8.04 3.82 0.00 2.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.24 0.00 69 L 7.89 3.95 0.00 1.98 1.87 1.31 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 70 L 7.84 4.06 0.00 1.76 1.71 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 71 A 7.70 4.07 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 N 7.82 4.20 0.00 1.87 1.42 0.00 0.00 6.85 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 Y 7.31 4.75 0.00 2.97 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 P 0.00 4.53 0.00 2.16 2.14 0.00 3.78 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 75 G 7.94 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 L 7.91 4.41 0.00 1.72 1.57 0.95 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 77 T 8.44 4.62 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 78 A 8.34 3.97 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 E 8.14 3.87 0.00 1.94 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.32 0.00 80 D 7.83 4.24 0.00 2.81 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 L 7.46 3.11 0.00 1.56 0.98 1.05 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 82 S 8.07 3.96 0.00 3.84 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 A 7.98 4.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 A 7.83 3.97 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 W 7.98 4.72 0.00 3.40 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 H 8.65 4.27 0.00 3.29 3.55 0.00 5.59 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 Y 8.68 3.93 0.00 3.28 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 Y 8.63 4.38 0.00 3.28 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 E 8.16 3.79 0.00 2.14 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 90 Q 7.57 4.14 0.00 1.89 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.14 0.00 0.00 0.00 0.00 0.00 2.18 2.26 0.00 91 N 7.79 4.97 0.00 2.31 2.54 0.00 0.00 6.60 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 P 0.00 4.08 0.00 2.05 1.81 0.00 3.72 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.72 0.00 93 E 8.03 3.94 0.00 2.11 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 1.94 0.00 94 Q 8.05 3.95 0.00 2.16 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.91 0.00 0.00 0.00 0.00 0.00 2.56 2.53 0.00 95 I 7.82 3.90 2.37 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.35 1.05 0.00 0.00 96 D 8.50 4.46 0.00 2.90 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 R 7.79 3.88 0.00 1.92 1.94 0.00 3.14 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 2.00 0.00 98 E 7.60 3.70 0.00 1.89 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.45 0.00 99 I 7.46 3.44 1.98 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.72 0.93 0.00 0.00 100 A 7.18 4.06 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 Q 8.38 3.87 0.00 2.02 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 6.60 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 *102 D 8.60 4.44 0.00 2.44 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.