NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 S 4.6567 8.1927 115.5684 57.5756 65.9367 172.6799 6 L 4.4883 7.9136 124.8367 55.2966 43.0664 173.9041 7 Y 5.1106 9.7219 123.3417 56.2267 43.1900 173.6841 8 R 5.2333 8.8539 121.3266 54.5534 33.8095 174.0271 9 L 5.2045 9.1393 126.8987 53.3687 45.5752 174.8830 10 I 5.1467 8.8026 127.0739 59.7703 40.1194 174.2482 11 Y 5.4340 8.5804 123.4829 55.7621 42.0958 173.6732 12 S 5.3885 9.1827 114.2685 57.0378 66.9249 172.7322 13 S 4.9471 9.0458 114.2088 57.8913 67.2188 172.8703 14 Q 4.7386 9.0321 120.1075 54.0255 29.8635 176.1217 15 G 4.2887 9.1224 113.1860 45.7926 0.0000 173.0990 16 I 4.1217 8.7850 116.7790 60.0841 38.2038 175.2280 17 P 4.2448 0.0000 0.0000 65.8689 30.9698 176.6254 18 N 4.7586 7.9601 113.4034 51.9767 37.4921 174.4255 19 L 4.0874 7.6523 121.1480 56.1133 42.6113 176.3796 20 Q 4.7830 9.1189 124.4447 52.9831 32.2148 174.6354 21 P 4.1887 0.0000 0.0000 66.2244 31.2439 178.3848 22 Q 3.9636 8.1915 117.4796 59.5719 28.8449 178.3182 23 D 4.3388 8.1822 119.6580 57.2682 40.8451 178.6356 24 L 3.9735 7.8467 119.0697 57.6637 41.5511 179.3877 25 K 3.9355 8.0481 119.4975 59.5561 32.0920 178.6586 26 D 4.3185 8.2314 119.2243 57.3660 40.6543 178.7531 27 I 3.6027 7.7665 120.2512 64.3563 37.0420 178.2848 28 L 3.9174 7.8218 120.9876 58.1896 42.0399 178.8564 29 E 3.9632 8.4609 118.8276 59.4109 29.3893 179.5630 30 S 4.1118 8.3104 115.4019 61.6265 62.8295 176.8031 31 S 4.1247 8.2347 118.0023 61.9446 62.4226 176.9988 32 Q 4.0138 8.1298 119.2134 58.5152 28.4209 178.5476 33 R 4.0289 7.6313 119.1876 59.3013 30.5783 177.6149 34 N 4.6142 8.1923 115.6951 55.5161 38.9901 177.2356 35 N 4.4542 8.3839 118.1669 55.9277 38.7323 175.5462 36 P 4.2551 0.0000 0.0000 65.6237 31.2577 178.5620 37 A 4.0424 8.0284 118.8306 54.6019 18.4916 177.5785 38 N 4.6755 7.7524 109.7379 52.5287 38.9753 175.2626 39 G 3.9279 7.7407 106.0843 46.5747 0.0000 173.6919 40 I 4.5891 8.0676 121.0718 59.7573 38.5837 175.4455 41 T 5.0218 9.6344 114.0349 59.0793 72.2734 174.1344 42 G 4.3049 7.3146 106.3631 46.1422 0.0000 170.7294 43 L 4.6228 7.1132 120.7453 53.6819 45.9097 175.2332 44 L 5.0808 8.7899 126.9807 53.4685 45.0572 174.7583 45 C 5.3393 9.2363 123.8687 58.1175 31.6950 172.2990 46 Y 4.9442 8.9540 123.2139 56.1000 41.3159 174.1395 47 S 4.7589 8.4797 122.5540 54.3441 64.0233 172.1190 48 K 3.2508 7.4051 123.6161 55.9055 32.2849 174.6370 49 P 4.7441 0.0000 0.0000 62.5348 32.8000 174.4104 50 A 5.0919 8.2989 123.1480 51.0343 21.3334 176.6862 51 F 5.4444 9.1200 119.6888 55.8407 42.1077 174.7897 52 L 5.0630 8.9949 123.7486 53.3867 45.1509 174.9306 53 Q 4.9605 8.4792 127.0322 54.0768 33.0629 173.8083 54 V 4.8987 8.3358 124.6910 59.8386 34.1773 174.4129 55 L 5.2745 9.1992 123.7908 53.0247 45.3033 175.3495 56 E 5.2192 10.2254 121.7580 53.9562 34.1023 176.3989 57 G 4.0625 8.0026 109.0499 44.9374 0.0000 171.1897 58 E 4.4636 8.0210 119.2867 56.0126 31.4228 177.2177 59 C 3.5878 8.8801 126.3738 62.7974 31.4413 175.9656 60 E 3.8566 8.0324 119.9160 59.4101 29.2019 178.6834 61 Q 3.9827 8.0158 118.1385 58.8883 28.7959 178.6908 62 V 3.6481 8.2092 119.7109 66.1860 31.5344 177.9103 63 N 4.4572 8.3595 116.2034 56.1848 38.4012 176.8515 64 E 3.9454 8.5326 121.1536 59.7205 29.6247 179.1107 65 T 3.7986 8.2512 115.7919 66.7740 68.5022 175.7908 66 Y 3.9985 8.3792 121.7860 61.4026 38.5492 178.2599 67 H 3.8422 8.1013 115.0891 58.2489 28.8873 177.5664 68 R 3.9576 7.8963 121.0397 59.2902 29.9292 178.5304 69 I 3.5752 7.7246 119.7798 64.5198 36.8916 178.8738 70 V 3.3841 7.1510 111.8689 64.0849 31.3279 177.9799 71 Q 4.1571 7.3585 115.9449 55.9453 28.7812 175.8944 72 D 4.3099 7.7415 124.2595 54.8923 41.5534 177.1513 73 E 4.3230 8.7534 121.4894 57.3865 30.0678 174.3345 74 R 4.5036 8.4741 117.1677 57.6577 30.6574 175.4450 75 H 5.4337 7.7703 111.5068 54.8152 31.6333 171.7352 76 H 4.8181 8.9761 115.3682 54.5362 32.0517 172.7533 77 S 3.8115 8.7183 112.4816 58.9802 59.7535 171.5150 78 P 4.5912 0.0000 0.0000 62.9931 32.2663 176.2667 79 Q 4.5981 9.4070 120.2805 53.9398 31.3655 174.8313 80 I 4.0408 8.4722 125.8147 61.8143 37.0902 176.2084 81 I 4.2231 8.9480 128.4953 63.1790 38.3289 176.0176 82 E 4.7676 7.7790 120.5209 55.0793 33.2326 173.5727 83 C 5.2991 8.4379 125.4432 58.2302 34.5287 172.6206 84 M 4.4972 8.9260 121.9256 53.3911 34.4353 172.4823 85 P 4.0602 0.0000 0.0000 62.5729 32.1338 175.6803 86 I 4.6046 8.2151 115.4113 59.2379 40.2069 175.8765 87 R 4.1180 8.7406 122.5505 58.9851 30.3571 177.0167 88 R 4.6110 7.2927 110.6984 54.8975 31.9164 174.6444 89 R 4.4254 8.3076 117.9580 56.3084 30.8261 176.3111 90 N 4.7470 9.7269 116.1361 53.2348 40.7435 175.8773 91 F 5.1455 8.7738 116.6059 56.9670 39.7607 176.7849 92 E 4.0669 8.4765 120.6295 58.9814 29.0731 178.2893 93 V 3.5879 7.1527 111.1843 61.7954 32.3824 175.7173 94 W 4.8974 7.7516 121.0036 54.4189 31.1477 176.4260 95 S 4.2954 9.0351 118.2427 60.7336 62.6342 174.3307 96 M 4.6660 7.5308 116.8801 54.0958 34.8901 173.3620 97 Q 4.6844 8.3017 123.3191 54.1261 32.7757 173.5481 98 A 5.2168 8.4783 125.9351 50.2332 22.0086 175.7237 99 I 4.4983 8.5569 121.7146 59.6462 41.2632 174.5744 100 T 4.7399 8.6415 117.9380 61.0482 70.2144 174.2384 101 V 4.4713 8.8080 126.0707 61.4404 34.2006 173.7623 102 N 4.9308 8.7992 128.9630 53.1812 39.2965 174.9643 103 D 4.5050 8.6408 115.1713 55.5438 40.2368 172.9225 104 L 4.4147 7.7208 115.1900 55.9926 42.2466 177.2513 105 S 4.3756 7.4546 115.3283 58.2543 63.5100 174.8475 106 T 4.0072 8.3909 118.7402 64.0621 70.0296 175.2803 107 E 3.9562 8.8001 123.3357 59.7042 29.6602 179.4628 108 Q 3.9642 8.0978 119.0425 59.2613 29.0001 178.6382 109 V 3.6968 7.6615 118.6246 65.9356 31.7627 177.8104 110 K 3.9747 8.3338 118.4735 60.0962 31.9808 179.4427 111 T 3.9534 8.3527 116.1428 66.3396 68.0666 176.6199 112 L 4.0852 7.6931 121.4216 58.1034 42.3511 178.7475 113 V 3.8928 8.3524 118.5903 66.1837 31.3435 177.7778 114 L 4.0708 8.1554 119.9291 57.9762 41.6397 178.7112 115 K 3.7900 7.8247 118.8738 58.7679 32.1071 177.2952 116 Y 4.7163 7.4115 113.9562 56.9909 38.7496 174.7057 117 S 4.5621 7.4638 114.1185 57.2470 66.0985 174.7133 118 G 3.3970 8.4819 108.5289 47.5313 0.0000 173.0422 119 F 4.8693 7.4692 116.4467 56.2069 43.1058 174.1022 120 T 4.2058 8.6460 114.8823 63.3372 67.4944 174.1675 121 T 4.2850 7.6486 111.3134 60.5849 70.0866 174.0848 122 L 3.8216 8.3278 127.5404 54.9113 42.4335 176.4773 123 R 4.4224 8.1213 125.1974 53.4437 31.6581 174.1370 124 P 4.1820 0.0000 0.0000 65.4405 31.5327 178.8275 125 S 4.2838 8.0683 108.7102 59.4260 62.7677 173.9955 126 A 4.7488 7.9206 122.3571 51.9651 19.4241 175.6861 127 M 4.9230 7.9848 117.3777 53.8548 35.1569 176.2163 128 D 4.6997 9.0987 123.8432 52.1744 41.9815 175.7289 129 P 4.2394 0.0000 0.0000 65.7994 31.2167 178.6088 130 E 3.9730 8.2192 117.6114 59.2813 29.5905 178.7124 131 Q 4.1164 8.8729 118.5981 59.0425 28.7772 178.4600 132 C 4.0997 8.2080 117.7338 62.7797 28.1892 175.8924 133 L 4.0316 8.0164 121.7905 58.4271 41.6856 178.8382 134 N 4.2664 8.1860 116.3767 55.9336 38.3294 177.1656 135 F 3.5703 7.7238 122.1970 61.1870 39.4867 177.2585 136 L 3.7741 8.0662 118.4960 57.5945 41.4644 179.4431 137 L 4.0116 8.1763 119.0566 58.0110 41.6079 179.4065 138 D 4.3426 8.0760 118.7493 57.3868 40.8737 178.7310 139 I 3.6498 7.7040 119.2172 63.7899 37.6501 177.7781 140 A 3.7908 7.7832 121.0792 54.7536 18.2163 179.3046 141 K 4.1685 7.8507 117.5872 59.7114 32.4612 179.0163 142 I 3.8831 7.7479 111.9684 64.2931 37.8073 176.2183 143 Y 4.4425 8.0968 119.7671 55.9134 41.3732 175.2715 144 E 4.6825 9.1057 119.7369 55.9938 30.0878 175.5305 145 L 3.7784 9.4431 121.0256 56.3800 40.0292 175.8432 146 S 4.0172 8.4441 111.2883 59.4951 63.1763 174.3927 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 5 S 8.19 4.66 0.00 3.96 4.22 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 6 L 7.91 4.49 0.00 1.94 1.63 0.99 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 7 Y 9.72 5.11 0.00 3.00 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 R 8.85 5.23 0.00 1.90 1.74 0.00 3.14 0.00 0.00 3.23 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.71 0.00 9 L 9.14 5.20 0.00 1.71 1.47 0.39 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 10 I 8.80 5.15 1.87 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.60 0.91 0.00 0.00 11 Y 8.58 5.43 0.00 3.20 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 S 9.18 5.39 0.00 4.01 3.96 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 13 S 9.05 4.95 0.00 4.15 4.31 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 0.00 0.00 0.00 0.00 14 Q 9.03 4.74 0.00 1.51 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.00 0.00 0.00 0.00 0.00 0.00 2.27 2.43 0.00 15 G 9.12 4.29 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 I 8.78 4.12 2.06 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.63 1.07 0.00 0.00 17 P 0.00 4.24 0.00 2.22 2.27 0.00 3.81 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 18 N 7.96 4.76 0.00 2.86 2.95 0.00 0.00 5.94 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 7.65 4.09 0.00 1.91 1.62 0.39 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 20 Q 9.12 4.78 0.00 2.05 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.43 0.00 0.00 0.00 0.00 0.00 2.45 2.43 0.00 21 P 0.00 4.19 0.00 2.15 2.15 0.00 3.62 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.20 0.00 22 Q 8.19 3.96 0.00 2.07 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.91 0.00 0.00 0.00 0.00 0.00 2.43 2.41 0.00 23 D 8.18 4.34 0.00 2.84 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 L 7.85 3.97 0.00 1.88 1.70 0.81 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 25 K 8.05 3.94 0.00 1.84 1.99 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.43 1.48 7.81 26 D 8.23 4.32 0.00 2.87 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 I 7.77 3.60 1.95 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.64 0.76 0.00 0.00 28 L 7.82 3.92 0.00 1.88 1.78 1.01 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 29 E 8.46 3.96 0.00 2.22 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.46 0.00 30 S 8.31 4.11 0.00 3.95 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 31 S 8.23 4.12 0.00 4.02 3.91 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.13 4.01 0.00 2.03 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.97 0.00 0.00 0.00 0.00 0.00 2.43 2.59 0.00 33 R 7.63 4.03 0.00 2.03 2.16 0.00 3.25 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 34 N 8.19 4.61 0.00 2.78 2.83 0.00 0.00 7.08 6.21 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 35 N 8.38 4.45 0.00 2.87 3.12 0.00 0.00 7.00 8.88 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 36 P 0.00 4.26 0.00 2.17 2.12 0.00 3.61 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.19 0.00 37 A 8.03 4.04 1.29 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 0.00 0.00 0.00 0.00 0.00 0.00 38 N 7.75 4.68 0.00 2.79 2.87 0.00 0.00 6.99 7.53 0.00 0.00 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 G 7.74 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 I 8.07 4.59 2.02 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.14 0.96 0.00 0.00 41 T 9.63 5.02 4.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 42 G 7.31 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.11 4.62 0.00 1.38 0.87 0.62 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.79 5.08 0.00 1.68 1.55 0.89 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 45 C 9.24 5.34 0.00 2.92 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 Y 8.95 4.94 0.00 2.99 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 S 8.48 4.76 0.00 3.70 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 K 7.41 3.25 0.00 1.58 1.60 0.00 1.01 0.00 0.00 0.91 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.23 1.29 7.81 49 P 0.00 4.74 0.00 2.09 2.22 0.00 3.56 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 1.95 1.91 0.00 50 A 8.30 5.09 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 F 9.12 5.44 0.00 3.19 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 52 L 8.99 5.06 0.00 1.66 1.45 0.90 0.58 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 53 Q 8.48 4.96 0.00 1.79 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.54 0.00 0.00 0.00 0.00 0.00 2.18 2.34 0.00 54 V 8.34 4.90 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.14 0.00 0.00 0.88 0.00 0.00 55 L 9.20 5.27 0.00 1.61 1.63 1.13 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 56 E 10.23 5.22 0.00 1.98 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 57 G 8.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.02 4.46 0.00 2.08 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.38 0.00 59 C 8.88 3.59 0.00 2.69 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.03 3.86 0.00 2.03 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 61 Q 8.02 3.98 0.00 2.19 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.56 0.00 0.00 0.00 0.00 0.00 2.74 2.66 0.00 62 V 8.21 3.65 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 1.09 0.00 0.00 1.09 0.00 0.00 63 N 8.36 4.46 0.00 3.07 2.91 0.00 0.00 6.67 7.20 0.00 0.00 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 E 8.53 3.95 0.00 2.07 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 0.00 2.31 2.51 0.00 65 T 8.25 3.80 4.33 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 1.24 0.00 0.00 66 Y 8.38 4.00 0.00 2.95 2.97 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 0.00 0.00 0.00 67 H 8.10 3.84 0.00 3.13 3.27 0.00 5.71 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 R 7.90 3.96 0.00 1.95 2.05 0.00 3.07 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 69 I 7.72 3.58 1.73 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.79 0.78 0.00 0.00 70 V 7.15 3.38 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.72 0.00 0.00 71 Q 7.36 4.16 0.00 2.05 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.50 0.00 72 D 7.74 4.31 0.00 2.77 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.75 4.32 0.00 2.03 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.90 0.00 74 R 8.47 4.50 0.00 1.97 2.01 0.00 3.07 0.00 0.00 3.20 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.55 0.00 75 H 7.77 5.43 0.00 3.50 3.46 0.00 5.53 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 H 8.98 4.82 0.00 3.21 3.43 0.00 5.42 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 S 8.72 3.81 0.00 4.08 4.01 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 78 P 0.00 4.59 0.00 2.22 1.92 0.00 3.70 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.86 0.00 79 Q 9.41 4.60 0.00 1.99 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.03 0.00 0.00 0.00 0.00 0.00 2.49 2.49 0.00 80 I 8.47 4.04 1.85 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.44 0.81 0.00 0.00 81 I 8.95 4.22 2.01 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.77 0.92 0.00 0.00 82 E 7.78 4.77 0.00 2.00 1.73 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 2.27 2.30 0.00 83 C 8.44 5.30 0.00 2.93 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 84 M 8.93 4.50 0.00 2.01 1.94 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 85 P 0.00 4.06 0.00 1.76 1.82 0.00 3.34 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.76 0.00 86 I 8.22 4.60 1.86 0.00 0.00 0.91 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 0.66 0.91 0.00 0.00 87 R 8.74 4.12 0.00 1.81 2.02 0.00 3.39 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.54 0.00 88 R 7.29 4.61 0.00 1.86 1.84 0.00 3.01 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.62 0.00 89 R 8.31 4.43 0.00 1.93 2.13 0.00 3.18 0.00 0.00 3.29 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 90 N 9.73 4.75 0.00 2.23 2.28 0.00 0.00 6.74 7.47 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 91 F 8.77 5.15 0.00 3.40 3.34 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.48 4.07 0.00 2.04 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.23 0.00 93 V 7.15 3.59 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.00 0.00 -0.79 0.00 0.00 94 W 7.75 4.90 0.00 3.70 2.97 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 0.00 0.00 0.00 95 S 9.04 4.30 0.00 4.02 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 M 7.53 4.67 0.00 1.99 1.94 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.54 0.00 97 Q 8.30 4.68 0.00 1.90 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.53 0.00 0.00 0.00 0.00 0.00 1.87 2.03 0.00 98 A 8.48 5.22 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 I 8.56 4.50 1.58 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.28 0.47 0.00 0.00 100 T 8.64 4.74 4.31 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 0.00 0.00 0.00 1.35 0.00 0.00 101 V 8.81 4.47 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 1.05 0.00 0.00 102 N 8.80 4.93 0.00 2.86 2.81 0.00 0.00 6.70 7.47 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 0.00 103 D 8.64 4.51 0.00 2.72 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 L 7.72 4.41 0.00 1.64 1.75 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 105 S 7.45 4.38 0.00 3.99 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 0.00 106 T 8.39 4.01 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 107 E 8.80 3.96 0.00 2.06 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.45 0.00 108 Q 8.10 3.96 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.92 0.00 0.00 0.00 0.00 0.00 2.45 2.43 0.00 109 V 7.66 3.70 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 1.09 0.00 0.00 110 K 8.33 3.97 0.00 2.03 1.90 0.00 1.93 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.51 1.75 7.81 111 T 8.35 3.95 4.45 0.00 0.00 0.00 0.00 0.00 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 0.00 112 L 7.69 4.09 0.00 2.00 2.10 0.90 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 113 V 8.35 3.89 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 1.16 0.00 0.00 114 L 8.16 4.07 0.00 1.99 1.84 0.86 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 115 K 7.82 3.79 0.00 1.91 1.82 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.68 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.77 1.25 7.81 116 Y 7.41 4.72 0.00 3.02 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.46 4.56 0.00 3.88 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 G 8.48 3.40 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 0.00 119 F 7.47 4.87 0.00 2.98 2.88 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 0.00 120 T 8.65 4.21 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 121 T 7.65 4.28 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 122 L 8.33 3.82 0.00 1.40 1.49 0.06 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 123 R 8.12 4.42 0.00 1.85 1.79 0.00 3.16 0.00 0.00 3.25 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 124 P 0.00 4.18 0.00 2.15 2.05 0.00 3.54 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.99 0.00 125 S 8.07 4.28 0.00 3.98 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 A 7.92 4.75 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 M 7.98 4.92 0.00 1.99 1.91 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.41 0.00 128 D 9.10 4.70 0.00 2.91 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 P 0.00 4.24 0.00 2.19 2.22 0.00 3.61 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.30 0.00 130 E 8.22 3.97 0.00 2.06 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 0.00 2.42 2.43 0.00 131 Q 8.87 4.12 0.00 2.33 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 2.60 2.62 0.00 132 C 8.21 4.10 0.00 3.13 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 L 8.02 4.03 0.00 1.80 1.69 1.13 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 134 N 8.19 4.27 0.00 2.62 2.74 0.00 0.00 6.69 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 F 7.72 3.57 0.00 2.74 3.09 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 0.00 136 L 8.07 3.77 0.00 2.01 1.73 0.87 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 137 L 8.18 4.01 0.00 1.81 1.66 0.87 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 138 D 8.08 4.34 0.00 2.89 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 I 7.70 3.65 1.09 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.37 0.51 0.00 0.00 140 A 7.78 3.79 1.35 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 0.00 0.00 141 K 7.85 4.17 0.00 1.99 2.07 0.00 1.84 0.00 0.00 1.78 0.00 0.00 3.09 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.49 7.81 142 I 7.75 3.88 1.85 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.00 0.97 0.00 0.00 143 Y 8.10 4.44 0.00 2.94 2.94 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 0.00 144 E 9.11 4.68 0.00 1.93 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.83 0.00 145 L 9.44 3.78 0.00 1.78 1.53 0.92 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 146 S 8.44 4.02 0.00 3.56 3.57 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