NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 G 3.9865 8.2548 109.1052 45.4011 0.0000 175.1281 17 I 3.6463 7.2580 120.0488 63.3740 37.4219 175.2945 18 T 3.9173 7.8322 117.2620 62.3359 69.6903 174.4356 19 G 3.6743 7.2419 113.2992 45.1809 0.0000 170.2595 20 T 4.4988 7.4397 116.5102 61.5469 70.1594 174.5488 21 W 5.0663 8.9441 125.8178 55.0511 33.3919 174.0938 22 Y 6.0344 9.6215 119.0780 55.4284 42.1538 174.4996 23 N 5.7148 8.8310 119.1426 50.0119 40.7215 174.7684 24 Q 4.2633 8.7447 115.1050 57.7806 28.8410 176.3902 25 L 4.4967 8.3630 118.1321 54.5025 42.0172 177.2216 26 G 3.9213 8.2699 105.9878 45.3428 0.0000 174.0659 27 A 4.4563 8.0520 121.1612 52.1189 20.2965 177.0439 28 T 4.6030 8.3533 116.0447 61.7929 71.3686 173.3823 29 F 4.6187 9.2895 130.4110 56.5796 41.5225 173.9856 30 I 4.5814 8.3792 128.6797 59.4382 38.9979 175.5053 31 V 4.7010 7.8633 126.2609 60.2525 34.9524 173.9959 32 T 4.8005 8.5155 118.7788 61.7001 71.7181 172.5841 33 A 4.7957 8.8604 129.0559 50.2556 20.5191 177.1478 34 G 3.8793 9.4228 112.2785 44.4879 0.0000 174.2840 35 A 4.3158 8.5596 121.1807 52.9903 18.1621 177.8635 36 D 4.6911 7.8874 115.0088 52.5548 40.9244 177.2026 37 G 3.4592 8.2819 107.9424 44.8483 0.0000 172.8338 38 A 4.8105 8.3711 121.7792 50.9431 20.8360 176.7075 39 L 5.2088 8.5501 119.8691 52.4240 45.0319 175.9931 40 T 4.9676 8.4982 118.6468 61.3082 73.2822 174.4332 41 G 4.0644 7.0728 110.8902 46.3293 0.0000 170.9950 42 T 5.2941 7.9666 110.3264 60.0714 72.6681 172.6393 43 Y 5.1926 9.2086 124.4885 55.8584 42.4486 173.7572 44 E 5.3055 8.6567 126.3246 54.6616 32.6869 174.1027 45 S 5.2486 9.3946 121.5862 57.1905 63.6451 173.6937 46 A 4.4545 8.8690 127.8980 52.7313 19.3692 177.2136 47 V 4.3944 7.3828 107.7859 60.1575 35.2897 177.0028 48 G 3.5836 8.4146 108.9872 44.9114 0.0000 173.3544 49 N 4.5448 8.0264 114.0460 51.3683 37.3170 174.4566 50 A 4.8984 7.4400 121.6757 50.6706 22.6506 175.8752 51 E 4.7187 9.2363 118.5960 55.9786 33.0704 177.0838 52 S 3.6682 8.4588 115.1983 58.6437 62.0424 170.6602 53 R 4.9879 8.3903 116.2546 55.6021 31.7726 175.6300 54 Y 4.8064 8.8094 118.8971 55.8976 41.8569 175.3089 55 V 4.3098 8.5965 123.3555 62.9286 32.3603 174.9650 56 L 5.1819 8.7144 126.6687 53.4792 44.2037 175.0766 57 T 4.8242 8.3199 113.0872 61.5468 71.1751 173.0557 58 G 4.9442 8.4932 112.7280 47.1228 0.0000 171.9153 59 R 5.6148 8.6931 117.5475 54.8999 34.8288 173.9094 60 Y 5.2791 8.4487 118.7655 55.1865 42.0132 174.6653 61 D 4.3283 9.1314 120.7941 54.1333 40.6802 176.8061 62 S 4.4831 8.1975 120.7129 58.9301 63.8362 174.6921 63 A 4.6102 8.1269 123.8850 49.7138 18.4860 173.4332 64 P 5.0123 0.0000 0.0000 60.8537 32.7462 177.0238 65 A 4.2725 8.2993 121.5088 52.5908 18.7746 177.1853 66 T 4.5615 8.3724 108.4487 61.6326 69.0174 174.7468 67 D 4.6897 8.2140 118.8507 53.7420 39.6275 176.9098 68 G 4.0369 8.2747 107.3607 45.5174 0.0000 174.4344 69 S 4.3077 8.0797 115.7666 58.0304 63.3789 174.2536 70 G 3.9884 8.3915 110.5442 46.5149 0.0000 172.5081 71 T 4.8005 8.7113 116.3747 61.5523 70.1156 174.9745 72 A 4.8706 8.7046 129.1983 52.3237 20.0343 175.8336 73 L 5.0479 8.5384 119.6244 55.6486 44.7133 173.6749 74 G 5.0422 8.8857 104.1902 45.9500 0.0000 172.3202 75 W 5.6616 7.8889 116.2752 55.8955 31.1930 173.1311 76 T 5.1941 8.8426 116.3112 61.8065 72.1911 173.2870 77 V 4.4768 8.9177 124.8814 60.9028 34.5464 173.8262 78 A 4.7167 8.3199 129.2462 49.4981 20.5617 177.4096 79 W 4.3265 8.6431 125.6893 56.6785 29.0329 176.3118 80 K 5.3447 8.0258 118.5580 54.7157 34.2954 174.4300 81 N 4.8728 8.7261 121.9723 52.1512 39.6484 174.2684 82 N 4.2909 8.5990 113.9969 55.7697 38.7167 175.2370 83 Y 4.6285 8.3143 114.9463 58.5049 39.7591 175.6320 84 R 4.5767 7.4997 118.1984 55.3351 33.3884 173.1095 85 N 5.1758 8.5804 120.3894 52.0174 40.7794 173.9007 86 A 4.1899 8.9001 128.4101 52.1710 19.7234 176.2401 87 H 4.1877 8.3851 113.3673 55.8993 26.8090 173.3858 88 S 5.2141 7.4541 111.5985 57.8054 67.0218 174.3887 89 A 5.0989 9.0046 121.2174 50.9741 22.8613 175.1809 90 T 4.9154 8.6464 118.4620 61.8201 71.3344 173.5479 91 T 4.8981 8.2169 115.9411 59.6448 71.5975 172.9797 92 W 4.8743 8.7058 125.4686 54.7595 31.7799 174.7127 93 S 4.8327 8.3561 119.2627 56.8030 64.6838 172.8305 94 G 4.5048 8.4333 113.7375 46.6240 0.0000 171.5490 95 Q 5.2030 8.2720 118.3012 54.8032 32.5666 173.7919 96 Y 4.7297 9.0029 124.1453 57.4031 40.4922 174.0344 97 V 4.1058 8.3961 127.5037 60.9118 33.7387 175.6865 98 G 4.0145 8.1265 116.1295 45.2842 0.0000 170.3086 99 G 3.9775 8.8197 104.9238 43.2318 0.0000 173.8903 100 A 4.1226 8.4773 121.7155 54.1401 18.6443 177.5863 101 E 4.5786 7.7167 115.5471 53.5263 29.3838 174.4935 102 A 4.4430 7.9686 122.7430 52.1712 19.6770 177.3479 103 R 5.2619 8.7725 118.1875 54.7557 35.5747 174.2426 104 I 4.9148 8.7978 121.8754 59.7827 40.4326 174.1844 105 N 5.5225 9.0599 125.4400 51.8555 40.2340 174.3418 106 T 5.3456 9.1007 113.1277 60.1430 73.2123 172.6553 107 Q 4.9197 8.9071 120.2800 53.9505 32.8501 174.7507 108 W 5.4993 8.3477 117.7042 54.8540 32.4874 173.7271 109 L 5.1287 8.4572 120.2586 53.0155 44.5457 175.2809 110 L 4.8326 9.2110 127.2608 53.8310 44.0516 174.8586 111 T 4.9662 8.5240 124.1741 62.1581 70.4564 174.2276 112 S 5.1586 8.5263 122.7822 56.5496 64.8986 174.5529 113 G 3.9017 8.6823 111.7009 46.7068 0.0000 172.9920 114 T 4.8141 8.2684 112.8883 59.3487 72.3636 173.3696 115 T 4.0083 8.1579 112.0796 61.3392 69.6712 175.1748 116 E 4.0366 8.7013 120.5863 59.3949 29.3973 179.0127 117 A 4.1959 8.0913 120.5616 54.2051 18.8389 178.0549 118 N 4.7601 7.7778 113.1569 53.2971 38.8017 176.8247 119 A 4.1400 8.1413 126.7567 54.0093 18.1407 180.3628 120 W 4.2488 8.2927 113.8454 58.4427 28.5365 176.8825 121 K 4.1127 6.3869 117.5591 56.2511 32.2838 177.5095 122 S 4.1947 7.6366 116.3043 60.8549 63.5115 173.3929 123 T 5.1406 7.5191 117.2458 61.7437 71.1161 173.4668 124 L 4.7159 8.8976 126.9576 53.5568 43.8836 176.0626 125 V 4.3906 7.9002 120.7967 60.3059 34.2841 175.1829 126 G 3.1834 6.4961 108.4590 45.7303 0.0000 170.8511 127 H 5.3278 8.0707 114.4032 54.1559 31.6540 172.6201 128 D 5.3335 9.1411 120.8618 52.8669 44.7906 174.7144 129 T 5.2664 8.9050 119.2061 61.8707 71.4504 173.2535 130 F 5.7120 9.4351 124.7382 56.0551 42.4265 174.5727 131 T 5.4062 9.2275 111.4446 60.0469 72.8385 174.2947 132 K 4.0362 8.5483 120.4424 56.6935 32.2184 176.9531 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 16 G 8.25 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 17 I 7.26 3.65 1.33 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 -0.17 0.49 0.00 0.00 18 T 7.83 3.92 4.13 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 0.00 0.00 1.10 0.00 0.00 19 G 7.24 3.67 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 0.00 0.00 0.00 0.00 20 T 7.44 4.50 4.03 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 0.00 0.00 0.85 0.00 0.00 21 W 8.94 5.07 0.00 3.17 3.24 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 0.00 22 Y 9.62 6.03 0.00 3.03 2.86 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 23 N 8.83 5.71 0.00 2.37 1.75 0.00 0.00 6.50 6.99 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 24 Q 8.74 4.26 0.00 2.21 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 7.13 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 25 L 8.36 4.50 0.00 1.93 1.77 1.02 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.27 3.92 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 0.00 0.00 0.00 27 A 8.05 4.46 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 28 T 8.35 4.60 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 1.14 0.00 0.00 29 F 9.29 4.62 0.00 2.69 2.91 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 30 I 8.38 4.58 1.76 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 1.13 0.55 0.78 0.00 0.00 31 V 7.86 4.70 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 0.00 0.00 0.07 0.00 0.00 0.57 0.00 0.00 32 T 8.52 4.80 4.15 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 0.00 0.00 1.14 0.00 0.00 33 A 8.86 4.80 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.42 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 35 A 8.56 4.32 1.30 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 36 D 7.89 4.69 0.00 2.79 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 G 8.28 3.46 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 38 A 8.37 4.81 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 39 L 8.55 5.21 0.00 1.80 1.56 0.82 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 40 T 8.50 4.97 4.20 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 1.19 0.00 0.00 41 G 7.07 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 42 T 7.97 5.29 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 1.21 0.00 0.00 43 Y 9.21 5.19 0.00 2.99 2.81 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 44 E 8.66 5.31 0.00 2.22 1.81 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 2.31 2.40 0.00 45 S 9.39 5.25 0.00 4.34 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 46 A 8.87 4.45 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 47 V 7.38 4.39 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.88 0.00 0.00 48 G 8.41 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.03 4.54 0.00 2.57 2.61 0.00 0.00 6.57 7.96 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 50 A 7.44 4.90 1.03 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 0.00 0.00 0.00 0.00 0.00 51 E 9.24 4.72 0.00 2.00 1.91 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 2.32 2.25 0.00 52 S 8.46 3.67 0.00 3.82 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 53 R 8.39 4.99 0.00 1.75 1.88 0.00 3.23 0.00 0.00 3.25 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 54 Y 8.81 4.81 0.00 2.98 2.69 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 0.00 55 V 8.60 4.31 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 0.81 0.00 0.00 0.94 0.00 0.00 56 L 8.71 5.18 0.00 2.05 1.81 0.84 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 57 T 8.32 4.82 4.28 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 1.26 0.00 0.00 58 G 8.49 4.94 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 59 R 8.69 5.61 0.00 1.74 1.79 0.00 3.28 0.00 0.00 3.41 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.59 0.00 60 Y 8.45 5.28 0.00 2.96 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 61 D 9.13 4.33 0.00 2.80 2.69 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 0.00 62 S 8.20 4.48 0.00 3.93 3.48 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 63 A 8.13 4.61 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 64 P 0.00 5.01 0.00 2.26 2.19 0.00 3.43 0.00 0.00 5.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.02 0.00 65 A 8.30 4.27 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 66 T 8.37 4.56 4.26 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 1.23 0.00 0.00 67 D 8.21 4.69 0.00 2.81 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 68 G 8.27 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 S 8.08 4.31 0.00 3.96 3.84 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 70 G 8.39 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 71 T 8.71 4.80 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 72 A 8.70 4.87 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 73 L 8.54 5.05 0.00 2.09 1.95 1.25 0.43 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 74 G 8.89 5.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 W 7.89 5.66 0.00 3.53 3.28 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 76 T 8.84 5.19 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 1.23 0.00 0.00 77 V 8.92 4.48 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.58 0.00 0.00 0.79 0.00 0.00 78 A 8.32 4.72 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 W 8.64 4.33 0.00 3.43 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 80 K 8.03 5.34 0.00 1.98 1.75 0.00 1.81 0.00 0.00 1.80 0.00 0.00 3.09 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.36 1.45 7.81 81 N 8.73 4.87 0.00 2.74 2.56 0.00 0.00 6.69 7.10 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 82 N 8.60 4.29 0.00 2.21 2.51 0.00 0.00 6.67 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 83 Y 8.31 4.63 0.00 3.03 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 84 R 7.50 4.58 0.00 2.12 1.93 0.00 3.19 0.00 0.00 3.36 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 85 N 8.58 5.18 0.00 2.69 2.59 0.00 0.00 6.98 7.96 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 86 A 8.90 4.19 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 87 H 8.39 4.19 0.00 3.38 3.33 0.00 5.65 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 S 7.45 5.21 0.00 3.98 3.92 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 89 A 9.00 5.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 T 8.65 4.92 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 91 T 8.22 4.90 4.15 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 0.00 0.00 1.15 0.00 0.00 92 W 8.71 4.87 0.00 1.78 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 0.00 0.00 0.00 0.00 93 S 8.36 4.83 0.00 3.85 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 94 G 8.43 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.27 5.20 0.00 2.29 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.10 6.96 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 96 Y 9.00 4.73 0.00 3.07 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 97 V 8.40 4.11 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 0.85 0.00 0.00 0.92 0.00 0.00 98 G 8.13 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 0.00 0.00 0.00 99 G 8.82 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 0.00 0.00 0.00 100 A 8.48 4.12 1.30 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 0.00 101 E 7.72 4.58 0.00 1.89 1.86 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 2.21 2.37 0.00 102 A 7.97 4.44 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 0.00 0.00 0.00 0.00 0.00 0.00 103 R 8.77 5.26 0.00 1.82 1.90 0.00 3.14 0.00 0.00 3.27 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.88 0.00 104 I 8.80 4.91 1.66 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.36 0.99 0.00 0.00 105 N 9.06 5.52 0.00 2.73 2.81 0.00 0.00 6.06 7.19 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 0.00 106 T 9.10 5.35 4.49 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 1.47 0.00 0.00 107 Q 8.91 4.92 0.00 1.95 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.74 0.00 0.00 0.00 0.00 0.00 2.21 2.25 0.00 108 W 8.35 5.50 0.00 2.67 2.37 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 0.00 109 L 8.46 5.13 0.00 1.51 1.55 0.88 0.80 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 0.00 110 L 9.21 4.83 0.00 1.59 1.70 0.88 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 111 T 8.52 4.97 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 1.19 0.00 0.00 112 S 8.53 5.16 0.00 3.71 3.74 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 0.00 113 G 8.68 3.90 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 0.00 0.00 0.00 114 T 8.27 4.81 4.18 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 1.15 0.00 0.00 115 T 8.16 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 1.21 0.00 0.00 116 E 8.70 4.04 0.00 2.24 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 2.38 2.40 0.00 117 A 8.09 4.20 1.38 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 0.00 0.00 0.00 0.00 0.00 0.00 118 N 7.78 4.76 0.00 2.65 2.63 0.00 0.00 6.74 9.28 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 0.00 119 A 8.14 4.14 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.29 4.25 0.00 3.59 3.23 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 0.00 121 K 6.39 4.11 0.00 1.26 0.74 0.00 1.21 0.00 0.00 0.98 0.00 0.00 2.80 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.30 0.79 7.81 122 S 7.64 4.19 0.00 4.06 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 0.00 123 T 7.52 5.14 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 1.19 0.00 0.00 124 L 8.90 4.72 0.00 1.78 1.71 0.93 0.64 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 0.00 125 V 7.90 4.39 1.91 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 0.54 0.00 0.00 0.67 0.00 0.00 126 G 6.50 3.18 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 0.00 127 H 8.07 5.33 0.00 3.17 3.13 0.00 5.67 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 D 9.14 5.33 0.00 3.12 2.45 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 0.00 129 T 8.90 5.27 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 1.40 0.00 0.00 130 F 9.44 5.71 0.00 2.99 3.27 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 0.00 131 T 9.23 5.41 4.41 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 0.00 0.00 0.00 1.39 0.00 0.00 132 K 8.55 4.04 0.00 1.49 1.42 0.00 1.35 0.00 0.00 1.12 0.00 0.00 2.13 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.30 0.21 7.81