NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9982 8.3549 109.7687 45.0333 0.0000 172.6502 2 D 4.5714 8.2482 119.0944 52.6494 42.1615 174.0452 3 K 4.7304 8.6972 116.8458 56.4001 35.2307 174.5939 4 L 4.4980 8.4655 122.6714 54.2646 43.4303 175.6761 5 I 4.9024 8.2484 122.4155 59.4669 40.2458 175.0059 6 L 4.6155 8.9894 126.3765 52.9771 44.4800 175.1147 7 K 4.6889 8.6349 125.5340 54.7517 34.2532 175.9425 8 G 3.8894 9.4898 116.0940 46.3189 0.0000 173.6370 9 L 3.9462 7.9326 119.9984 54.4250 42.6579 176.6396 10 K 4.8477 8.1517 123.4606 54.6653 34.0112 175.7698 11 F 5.2395 8.9723 122.6744 55.9541 43.8095 172.9647 12 Y 4.8848 9.0089 122.7260 56.2848 40.0332 174.7166 13 G 4.2165 9.0260 113.2751 44.4119 0.0000 172.2426 14 F 5.1188 8.3286 115.3935 57.3234 39.7894 175.8011 15 H 4.7998 8.0704 117.0262 55.6106 29.4569 174.1862 16 G 4.3997 8.4506 107.6621 43.6107 0.0000 174.6986 17 A 4.2522 8.2847 124.1351 54.3995 19.0759 178.7906 18 I 3.7146 7.3549 115.1707 61.7294 37.9098 177.1024 19 A 4.0619 8.8268 127.5532 55.4579 18.6687 179.6424 20 E 4.0405 8.2793 115.0470 59.5783 29.3177 179.3504 21 E 4.0161 7.9952 118.0790 59.4900 29.2940 179.5428 22 R 4.6113 7.9964 118.9918 58.6441 30.1315 178.8313 23 T 4.2482 7.8210 108.3196 64.6042 69.5070 176.6965 24 L 4.3185 8.1579 121.3493 56.1640 42.0560 178.2176 25 G 3.3347 8.9765 106.0302 45.2555 0.0000 171.4058 26 Q 3.9083 6.0843 115.9551 55.8337 31.9224 172.8281 27 M 4.6397 8.0292 118.8511 54.8906 33.2628 176.1954 28 F 4.8950 9.3746 120.2940 55.5906 43.4362 173.5146 29 L 5.0561 8.9497 125.0234 53.4000 44.3801 175.2357 30 V 4.9646 8.8239 125.6568 61.3921 34.8410 173.5259 31 D 5.5113 9.1354 127.8538 52.7246 43.7164 175.4989 32 I 5.1022 9.1287 122.7576 59.7421 41.5118 173.8435 33 D 5.2272 9.3457 126.3831 52.3324 43.9691 174.8466 34 A 5.1534 8.5632 125.4577 49.7202 21.5368 175.2834 35 W 4.7822 9.7549 123.9134 57.5736 30.1101 176.4171 36 V 4.8194 8.3532 123.1663 60.4643 34.1377 173.6219 37 S 4.1614 8.9932 119.6694 58.8424 62.7846 174.0940 38 L 4.6326 8.6690 126.1219 54.1954 42.1664 178.2210 39 K 3.8611 7.4191 120.7414 59.5939 32.3915 177.9682 40 K 3.9831 8.0855 118.9125 59.6569 32.2402 178.2680 41 A 4.2743 8.1151 120.5346 55.1626 18.0917 179.1797 42 G 3.7287 8.0962 102.2231 46.5399 0.0000 174.6357 43 E 4.5102 8.4261 120.1225 57.3374 31.0564 177.5622 44 S 4.3785 8.0858 111.9067 57.9328 63.8779 173.3269 45 D 4.3424 7.8953 120.7788 55.1853 40.1939 172.3295 46 N 4.8745 7.7296 114.9564 50.8782 40.5947 174.5239 47 L 3.8715 8.6539 128.0616 58.2466 42.2213 178.6102 48 E 4.0686 8.2224 116.2829 58.5781 29.5723 177.0439 49 D 4.6023 8.0967 117.4385 54.8835 41.1721 175.2098 50 T 4.6332 7.3991 113.2153 60.4190 70.6624 171.9245 51 I 4.2660 7.8972 122.4001 59.0478 38.8198 175.7473 52 S 3.8602 8.3843 120.7963 57.9719 62.7264 174.2507 53 Y 4.3176 7.6632 126.4008 59.2786 37.7021 178.3720 54 V 3.8585 7.8591 121.2728 66.2590 31.6760 177.5512 55 D 4.6409 8.1519 118.7945 57.4504 40.6868 178.8349 56 I 3.9170 7.7320 120.0220 63.9769 37.1467 177.9919 57 F 4.1935 8.5641 121.7723 61.5464 39.2570 177.2810 58 S 4.0287 8.8344 115.0896 61.4709 62.7518 176.4248 59 L 3.8843 7.9900 122.6646 58.2129 41.7606 178.9866 60 A 3.8641 7.8296 120.5053 54.9133 18.3237 179.4473 61 K 2.0000 7.6454 118.5125 58.9898 31.8761 178.6445 62 E 3.8152 7.7883 118.6555 59.1418 29.8031 178.6826 63 I 3.7492 7.3539 119.6979 64.3633 37.0506 178.4911 64 V 3.4537 7.5523 118.7337 65.8002 31.4118 176.7266 65 E 4.5551 7.9237 116.3069 56.5619 30.2983 177.6020 66 G 3.9901 7.4890 112.8576 44.8350 0.0000 173.8190 67 S 4.0901 8.7611 118.6097 58.1670 63.2947 172.6173 68 P 4.3899 0.0000 0.0000 63.1389 31.6804 175.7337 69 R 4.7981 8.3834 118.1859 54.4402 34.1161 176.1398 70 N 4.8487 8.7298 116.7400 54.8815 39.0607 176.3068 71 L 4.9191 7.4737 116.3900 52.2683 46.4039 177.4680 72 L 3.9931 8.4120 121.4266 57.7787 41.5684 179.5561 73 E 3.9503 8.2163 118.2376 59.8697 29.3760 179.3954 74 T 3.8237 7.8144 114.9621 66.6199 68.5980 176.7195 75 V 3.4169 7.4956 119.6829 65.8972 31.5415 177.9134 76 A 3.9915 8.6045 120.8985 55.0059 18.0982 179.2077 77 E 3.8576 8.4927 118.1933 59.4741 29.6623 179.0644 78 L 4.0405 7.9738 120.4391 57.2092 41.6013 179.6419 79 I 3.6545 7.8348 119.4640 64.2233 37.1005 178.2054 80 A 3.9993 8.0031 121.7246 55.2964 17.8182 179.7854 81 S 4.0717 8.3077 112.8955 61.7114 63.0252 176.8650 82 K 4.0595 8.4049 122.4325 59.2205 31.8469 179.5923 83 T 4.1126 8.1902 116.3024 66.7540 68.1927 176.8440 84 L 4.1359 7.8686 119.8219 57.6393 41.6774 178.8409 85 E 4.0932 8.1214 118.7787 58.8351 29.6237 178.3033 86 K 4.0705 7.9075 119.0460 57.1358 32.8978 176.2020 87 F 4.7467 7.8537 117.8492 55.5433 39.8786 175.3107 88 H 4.5134 8.7402 123.0291 57.8831 28.7835 177.2167 89 Q 4.2208 8.1145 117.7723 58.0892 29.0140 176.6162 90 I 4.1518 7.5767 119.0124 61.5031 37.7557 175.5536 91 N 4.8172 9.2683 122.2646 54.9489 40.1938 174.6546 92 A 4.6796 7.8015 117.7697 51.2488 22.8905 175.3561 93 V 5.1541 8.3579 118.9442 61.6206 35.6630 173.3703 94 R 5.2245 9.6963 128.3048 54.6439 32.7416 174.4056 95 V 4.8519 8.8144 126.0829 61.0286 34.5701 174.1984 96 K 5.0197 9.1770 127.2853 54.7773 34.7519 174.6057 97 L 5.1482 8.5403 127.6998 53.3644 44.1967 175.4776 98 S 5.2580 9.3401 121.5383 56.7437 67.9063 173.2392 99 K 4.5352 8.9387 121.3962 54.1006 33.3804 175.7690 100 P 4.5685 0.0000 0.0000 63.9633 31.6907 176.1822 101 N 4.6705 7.6722 115.5498 51.0976 39.1812 172.6137 102 V 3.8831 7.9267 122.3697 60.8223 31.9451 175.3001 103 A 4.0112 8.4063 130.2948 54.1287 18.4617 177.2859 104 L 3.7464 8.6512 120.0783 54.8823 39.3426 174.4325 105 I 4.2321 7.2715 120.1894 59.8038 37.1406 176.1727 106 K 4.0890 8.6740 126.0909 58.1217 32.2809 177.4345 107 S 4.7044 7.6944 112.7251 56.4652 65.1418 173.4038 108 T 4.3336 8.0376 110.8521 61.2022 69.6507 173.5932 109 I 4.4384 7.6331 114.9949 60.4177 40.3500 174.5082 110 D 4.5083 8.5020 119.4963 55.5305 41.0726 176.1326 111 Y 4.7556 6.4254 113.1363 56.7289 40.1765 172.2100 112 L 4.8322 8.1258 119.6573 53.3353 45.2401 176.5503 113 G 4.4575 8.3947 108.7430 46.5952 0.0000 171.9547 114 V 4.7541 8.7844 112.4004 59.7226 35.7704 175.4089 115 D 4.9574 8.6307 121.9766 53.3845 43.1616 174.0820 116 I 4.7589 8.8404 119.9304 58.8966 41.0281 174.1351 117 F 5.2187 8.8208 125.5672 56.5540 41.7339 174.4462 118 R 4.3871 8.0790 124.2198 54.3121 33.5850 174.1850 119 Q 4.5412 8.1993 124.2569 53.5674 31.9124 174.8196 120 R 3.8438 8.3161 124.7771 56.6985 30.3843 175.9215 121 N 5.0157 8.4882 122.7674 52.9035 39.6195 174.7327 122 T 4.0934 7.6174 120.8494 64.2660 69.4871 173.4060 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 1 G 8.35 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.25 4.57 0.00 2.95 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 8.70 4.73 0.00 1.32 1.14 0.00 0.73 0.00 0.00 0.61 0.00 0.00 2.62 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.92 1.11 7.81 4 L 8.47 4.50 0.00 1.59 1.65 0.94 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 5 I 8.25 4.90 1.80 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 1.25 0.80 0.85 0.00 0.00 6 L 8.99 4.62 0.00 1.64 1.65 1.03 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 7 K 8.63 4.69 0.00 1.67 1.62 0.00 2.02 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.28 1.43 7.81 8 G 9.49 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 9 L 7.93 3.95 0.00 1.84 1.15 1.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 10 K 8.15 4.85 0.00 1.49 1.64 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.25 1.51 7.81 11 F 8.97 5.24 0.00 3.03 2.84 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 0.00 0.00 0.00 12 Y 9.01 4.88 0.00 3.05 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 13 G 9.03 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 0.00 0.00 0.00 14 F 8.33 5.12 0.00 3.13 3.30 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 15 H 8.07 4.80 0.00 3.08 3.29 0.00 5.70 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.45 4.40 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 17 A 8.28 4.25 1.31 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 0.00 0.00 18 I 7.35 3.71 2.07 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 1.33 1.27 0.97 0.00 0.00 19 A 8.83 4.06 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.28 4.04 0.00 2.10 2.05 0.00 0.00 0.00 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 2.49 0.00 21 E 8.00 4.02 0.00 2.30 2.06 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 2.34 2.38 0.00 22 R 8.00 4.61 0.00 1.93 2.06 0.00 3.14 0.00 0.00 3.17 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.57 0.00 23 T 7.82 4.25 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 1.31 0.00 0.00 24 L 8.16 4.32 0.00 1.78 1.87 0.96 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.98 3.33 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 0.00 26 Q 6.08 3.91 0.00 1.74 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.95 6.90 0.00 0.00 0.00 0.00 0.00 1.22 1.16 0.00 27 M 8.03 4.64 0.00 1.84 1.88 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.61 0.00 28 F 9.37 4.90 0.00 3.00 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 L 8.95 5.06 0.00 1.59 1.29 0.81 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 30 V 8.82 4.96 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 1.00 0.00 0.00 1.09 0.00 0.00 31 D 9.14 5.51 0.00 2.62 2.54 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 0.00 0.00 0.00 0.00 32 I 9.13 5.10 1.94 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.12 0.98 0.00 0.00 33 D 9.35 5.23 0.00 2.70 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 0.00 0.00 0.00 34 A 8.56 5.15 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 9.75 4.78 0.00 3.52 3.11 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 0.00 0.00 0.00 36 V 8.35 4.82 2.15 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 0.61 0.00 0.00 0.97 0.00 0.00 37 S 8.99 4.16 0.00 3.89 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.67 4.63 0.00 1.88 1.63 0.91 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 39 K 7.42 3.86 0.00 1.76 1.86 0.00 1.82 0.00 0.00 1.64 0.00 0.00 3.11 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.58 1.47 7.81 40 K 8.09 3.98 0.00 1.87 1.78 0.00 1.80 0.00 0.00 1.83 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.52 7.81 41 A 8.12 4.27 1.31 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 0.00 0.00 42 G 8.10 3.73 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 0.00 43 E 8.43 4.51 0.00 2.02 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 2.25 2.39 0.00 44 S 8.09 4.38 0.00 4.01 3.97 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 45 D 7.90 4.34 0.00 2.77 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 46 N 7.73 4.87 0.00 2.79 2.78 0.00 0.00 6.87 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 47 L 8.65 3.87 0.00 1.63 1.64 0.88 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 48 E 8.22 4.07 0.00 2.00 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 2.32 0.00 49 D 8.10 4.60 0.00 2.75 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 T 7.40 4.63 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 1.20 0.00 0.00 51 I 7.90 4.27 1.66 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.70 0.13 0.00 0.00 52 S 8.38 3.86 0.00 3.71 3.83 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 53 Y 7.66 4.32 0.00 3.15 3.20 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 54 V 7.86 3.86 2.15 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 1.04 0.00 0.00 1.07 0.00 0.00 55 D 8.15 4.64 0.00 3.01 3.08 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 0.00 0.00 0.00 56 I 7.73 3.92 1.93 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.67 0.96 0.00 0.00 57 F 8.56 4.19 0.00 3.37 3.36 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 58 S 8.83 4.03 0.00 3.96 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 59 L 7.99 3.88 0.00 1.97 1.94 1.06 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 60 A 7.83 3.86 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 61 K 7.65 2.00 0.00 0.79 1.44 0.00 1.73 0.00 0.00 1.53 0.00 0.00 3.00 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.18 1.13 7.81 62 E 7.79 3.82 0.00 1.96 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 0.00 2.25 2.29 0.00 63 I 7.35 3.75 1.86 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.95 0.82 0.00 0.00 64 V 7.55 3.45 1.74 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 0.74 0.00 0.00 0.91 0.00 0.00 65 E 7.92 4.56 0.00 1.99 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 2.50 2.16 0.00 66 G 7.49 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 67 S 8.76 4.09 0.00 3.86 3.85 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 68 P 0.00 4.39 0.00 2.22 2.12 0.00 3.69 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 69 R 8.38 4.80 0.00 1.76 1.78 0.00 3.27 0.00 0.00 3.34 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.51 0.00 70 N 8.73 4.85 0.00 2.73 2.90 0.00 0.00 7.07 7.85 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 71 L 7.47 4.92 0.00 1.63 1.71 0.93 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 72 L 8.41 3.99 0.00 1.73 1.76 1.03 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 73 E 8.22 3.95 0.00 2.05 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 2.42 2.49 0.00 74 T 7.81 3.82 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 1.18 0.00 0.00 75 V 7.50 3.42 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 0.78 0.00 0.00 0.47 0.00 0.00 76 A 8.60 3.99 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 77 E 8.49 3.86 0.00 2.23 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 2.29 2.38 0.00 78 L 7.97 4.04 0.00 1.80 1.66 0.89 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 79 I 7.83 3.65 2.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.76 0.94 0.00 0.00 80 A 8.00 4.00 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 81 S 8.31 4.07 0.00 4.02 4.11 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 0.00 0.00 0.00 82 K 8.40 4.06 0.00 1.85 1.88 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.58 1.59 7.81 83 T 8.19 4.11 4.47 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 1.39 0.00 0.00 84 L 7.87 4.14 0.00 1.77 1.73 0.85 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 85 E 8.12 4.09 0.00 2.00 2.17 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 2.27 2.29 0.00 86 K 7.91 4.07 0.00 1.55 1.39 0.00 1.25 0.00 0.00 1.40 0.00 0.00 2.76 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.60 0.21 7.81 87 F 7.85 4.75 0.00 3.16 2.96 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 88 H 8.74 4.51 0.00 3.14 3.37 0.00 5.71 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 Q 8.11 4.22 0.00 2.09 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.93 0.00 0.00 0.00 0.00 0.00 2.42 2.51 0.00 90 I 7.58 4.15 2.00 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 1.34 0.56 1.07 0.00 0.00 91 N 9.27 4.82 0.00 2.80 2.88 0.00 0.00 6.36 7.59 0.00 0.00 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 A 7.80 4.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 V 8.36 5.15 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 1.03 0.00 0.00 1.03 0.00 0.00 94 R 9.70 5.22 0.00 2.65 2.23 0.00 3.47 0.00 0.00 3.40 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.98 0.00 95 V 8.81 4.85 2.12 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 0.96 0.00 0.00 0.98 0.00 0.00 96 K 9.18 5.02 0.00 1.72 1.73 0.00 1.88 0.00 0.00 1.65 0.00 0.00 3.07 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.56 1.42 7.81 97 L 8.54 5.15 0.00 1.78 1.53 1.04 0.79 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 98 S 9.34 5.26 0.00 3.38 3.68 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 99 K 8.94 4.54 0.00 1.66 1.60 0.00 1.70 0.00 0.00 1.64 0.00 0.00 3.19 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.06 1.45 7.81 100 P 0.00 4.57 0.00 2.16 2.17 0.00 3.28 0.00 0.00 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.85 0.00 101 N 7.67 4.67 0.00 2.57 2.72 0.00 0.00 6.83 7.68 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 0.00 102 V 7.93 3.88 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 0.99 0.00 0.00 0.96 0.00 0.00 103 A 8.41 4.01 1.25 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 0.00 0.00 0.00 104 L 8.65 3.75 0.00 1.84 1.87 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 105 I 7.27 4.23 2.02 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 1.29 0.51 0.96 0.00 0.00 106 K 8.67 4.09 0.00 1.74 1.87 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.44 1.37 7.81 107 S 7.69 4.70 0.00 3.95 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 T 8.04 4.33 4.23 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 109 I 7.63 4.44 1.81 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 1.41 0.43 0.88 0.00 0.00 110 D 8.50 4.51 0.00 2.48 2.80 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 0.00 0.00 0.00 0.00 111 Y 6.43 4.76 0.00 2.98 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 L 8.13 4.83 0.00 1.58 1.61 0.93 1.17 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 0.00 113 G 8.39 4.46 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 8.78 4.75 2.12 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 0.87 0.00 0.00 1.02 0.00 0.00 115 D 8.63 4.96 0.00 2.71 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 I 8.84 4.76 1.91 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 1.15 0.83 0.95 0.00 0.00 117 F 8.82 5.22 0.00 2.99 2.95 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.08 4.39 0.00 1.52 1.59 0.00 3.24 0.00 0.00 3.02 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.61 0.00 119 Q 8.20 4.54 0.00 1.86 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.96 0.00 0.00 0.00 0.00 0.00 2.24 2.17 0.00 120 R 8.32 3.84 0.00 1.83 1.82 0.00 3.35 0.00 0.00 3.18 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 121 N 8.49 5.02 0.00 2.67 2.73 0.00 0.00 6.99 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 0.00 122 T 7.62 4.09 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