NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 V 4.3151 8.0549 120.6178 62.8596 32.9957 174.1929 4 F 4.6817 9.3744 125.9985 55.3397 41.5409 172.7799 5 N 5.5035 9.4660 122.0779 51.7472 41.0111 173.3727 6 Y 4.8885 9.2433 121.2956 56.1709 41.6262 174.4572 7 E 5.3585 9.0379 122.3164 54.8125 32.9010 175.2223 8 I 4.9043 8.7541 122.7652 59.8483 42.1974 173.9099 9 E 5.3689 8.7594 121.7931 55.0619 33.3463 175.2038 10 T 4.8757 8.7560 116.0806 60.5536 71.3450 172.5317 11 T 5.1357 8.5215 115.8908 60.0273 71.5554 172.9341 12 S 4.8959 9.0115 117.6233 56.7146 66.1997 174.8127 13 V 3.7336 8.8482 123.0157 64.4683 31.7787 176.3875 14 I 4.0757 7.6300 121.1696 60.0385 37.7768 174.7266 15 P 4.5339 0.0000 0.0000 62.1649 33.1774 177.4655 16 A 3.7196 8.3541 120.9102 55.2553 17.8980 180.0976 17 A 3.9616 7.5739 118.7860 54.9696 18.5355 179.7594 18 R 3.9793 7.8396 116.9888 59.4750 30.2807 178.2588 19 L 4.0148 7.8859 120.2384 58.0714 42.0475 178.6141 20 F 4.2028 8.2929 120.7770 61.1406 39.3546 177.1333 21 K 3.9759 8.0809 117.7922 59.5214 31.9076 178.8081 22 A 4.0692 7.9173 119.8335 54.6245 18.4758 178.7765 23 F 4.5675 8.5743 118.9932 60.4081 39.6356 177.5856 24 I 3.4535 7.2923 116.8519 62.6878 37.9135 176.8648 25 L 3.9970 7.4242 119.0129 56.4548 42.0374 177.4845 26 D 4.8654 8.0007 117.1509 53.7531 41.6682 178.2187 27 G 3.6297 7.9799 110.1829 47.4948 0.0000 175.6296 28 D 4.2909 7.8278 119.4713 56.9497 40.8240 178.4821 29 N 4.3922 7.7392 116.3528 56.2998 38.9084 177.1298 30 L 3.8773 8.2120 121.6691 57.2755 42.1205 179.0578 31 V 3.5603 8.0369 118.9968 65.4424 31.3534 176.1125 32 P 4.4539 0.0000 0.0000 65.5158 31.1066 178.4071 33 K 4.0854 7.1870 118.1351 58.9714 32.2104 179.0204 34 V 4.1199 7.5442 109.7189 61.1045 33.6698 176.0381 35 A 4.7910 8.4467 121.6219 50.1199 18.5351 175.0293 36 P 4.6699 0.0000 0.0000 63.7276 32.3772 178.1228 37 Q 4.4320 8.0610 116.4304 56.4146 28.8506 175.9028 38 A 4.5198 7.7981 118.3380 52.3435 22.0679 176.4949 39 I 4.3814 7.9108 116.7069 59.3873 39.7103 176.2249 40 S 4.3772 8.4485 121.8857 61.2837 63.7627 174.3319 41 S 4.5415 7.3379 112.2632 57.4946 65.8295 174.5669 42 V 4.8445 8.1754 119.4886 61.2367 34.1308 174.1971 43 E 4.7182 9.2073 126.8197 54.0122 32.9864 175.7382 44 N 4.8675 8.2111 118.8732 58.9739 39.4306 179.3658 45 I 3.0928 6.7614 116.4048 61.8324 38.7815 175.0383 46 E 4.5237 8.0961 114.0698 56.5183 32.4992 172.8355 47 G 4.3954 9.0044 110.6701 46.6766 0.0000 174.3677 48 N 4.6405 8.4899 121.9316 51.5976 37.1325 176.6193 49 G 3.6351 7.4220 120.5340 46.5634 0.0000 174.0083 50 G 3.3368 9.1638 112.5307 45.5373 0.0000 172.4471 51 P 3.7623 0.0000 0.0000 64.9598 32.3142 177.6572 52 G 3.8516 8.3166 110.0961 49.5868 0.0000 173.5910 53 T 3.9951 7.4055 115.5723 61.8916 68.6864 173.0004 54 I 4.8982 8.7916 127.3159 59.4935 40.3856 174.9196 55 K 4.7904 9.0242 124.4696 54.5432 36.7659 175.3414 56 K 4.7607 8.6205 122.6000 54.7216 34.6385 175.5453 57 I 4.2615 8.4285 127.4753 60.7422 38.2132 174.7440 58 N 5.1706 8.5961 125.3564 51.6896 40.4790 174.5756 59 F 4.8506 8.5188 121.9430 54.8763 41.5339 174.3227 60 P 4.4502 0.0000 0.0000 62.3639 31.8924 175.9972 61 E 4.1799 8.7826 120.3951 58.7216 29.7701 177.4649 62 G 4.0461 9.0286 111.0121 45.4211 0.0000 174.0458 63 F 4.0828 7.8847 118.3263 56.5863 39.4788 173.5305 64 P 4.1389 0.0000 0.0000 64.7998 31.3013 176.7441 65 F 4.9784 7.7139 114.7804 55.2985 41.6006 175.6166 66 K 4.5337 8.9507 124.4623 59.6848 33.0778 176.0958 67 Y 5.2012 7.3631 114.7479 56.8761 40.2955 173.4128 68 V 4.8924 8.5459 112.2924 59.8281 37.1093 174.6806 69 K 5.1062 9.0360 121.2606 54.9988 34.8281 175.4076 70 D 5.4064 8.7738 125.2854 53.2407 43.2311 175.5601 71 R 5.0141 9.0619 122.5772 54.2498 32.7237 174.9378 72 V 3.7860 8.9533 127.9777 63.6606 31.5400 174.6645 73 D 4.7770 8.7857 127.7849 55.7266 42.4257 176.7491 74 E 4.7319 7.3719 114.9736 55.3209 34.1617 174.5851 75 V 4.7421 8.2754 122.5386 61.5489 34.7189 173.9495 76 D 4.7955 9.1749 128.0992 52.6316 42.2443 175.9381 77 H 4.4302 8.7565 121.8566 57.4422 29.2693 177.0302 78 T 3.9043 7.8040 115.9144 65.3573 68.8301 175.3510 79 N 4.6053 8.4935 115.1141 51.9808 39.6271 174.5879 80 F 2.3000 6.5038 117.0120 58.2636 37.0920 174.9144 81 K 5.3892 7.6186 118.4604 55.3475 35.9142 175.5104 82 Y 5.1970 9.2508 124.4553 56.1872 42.0658 173.2311 83 N 5.5047 9.2819 125.6769 51.8094 40.9580 173.9097 84 Y 5.2425 8.4284 120.6436 55.5161 42.5936 174.0193 85 S 4.9418 8.9204 115.1622 56.5714 67.2452 173.6465 86 V 4.5074 8.6957 125.0265 62.6442 31.7548 176.1075 87 I 4.4730 8.5348 121.0207 61.1787 39.5243 175.1197 88 E 4.6007 8.2417 122.1620 56.1519 33.2239 175.3888 89 G 3.9650 8.7312 109.2046 46.1766 0.0000 174.3705 90 G 3.0674 7.8578 107.1357 45.6362 0.0000 174.0041 91 P 4.3205 0.0000 0.0000 64.1722 32.0678 178.7559 92 V 3.6286 7.7000 119.6335 66.3920 31.1543 178.0995 93 G 3.7212 8.0062 102.9806 46.8725 0.0000 174.5213 94 D 4.7233 7.9279 119.5389 55.8964 41.8792 177.4047 95 T 4.4665 7.9270 106.7965 61.0994 69.4441 173.4484 96 L 4.9508 7.4387 119.5649 53.5494 45.7702 175.9084 97 E 4.4480 9.2836 120.5681 58.3416 30.6971 176.6662 98 K 4.5457 7.4832 115.1492 55.7784 36.9653 174.2902 99 I 4.8223 8.1874 122.6591 59.7648 40.3481 174.7928 100 S 4.9122 8.7024 123.9092 56.9855 64.3236 173.2148 101 N 5.3851 8.6595 122.7911 51.3758 41.7356 173.5844 102 E 5.0357 9.2973 121.5501 54.6221 33.8548 174.1663 103 I 5.0372 8.9927 126.2213 59.4356 40.5970 174.3826 104 K 5.0686 9.3646 128.4633 54.7155 34.4328 174.7891 105 I 4.7026 8.7087 129.1387 60.9263 38.1780 176.2564 106 V 4.6084 8.8786 118.9636 59.3714 35.5894 174.9497 107 A 4.5860 8.6938 126.1167 51.9748 19.4788 176.8459 108 T 4.6061 8.2378 110.8857 59.3388 71.2213 174.2770 109 P 4.3908 0.0000 0.0000 65.2527 31.7063 177.8289 110 D 4.3576 8.0316 117.8206 56.9489 40.5073 176.9892 111 G 4.0889 8.0773 105.4080 45.2873 0.0000 173.8158 112 G 4.6088 7.8453 111.2215 45.1079 0.0000 172.2014 113 C 5.0673 8.3160 114.4027 57.5704 33.7465 173.3056 114 V 4.8444 8.7641 119.3741 61.1375 34.4700 173.9468 115 L 4.8937 9.1978 128.2348 53.4242 43.6105 175.5008 116 K 4.6964 9.0665 124.5577 55.0083 34.1556 175.3885 117 I 4.9942 8.6347 126.7213 59.5545 39.7487 174.6235 118 S 5.2459 9.1236 122.0953 56.5082 65.0061 172.2287 119 N 5.4153 9.2739 124.4102 50.3704 41.7462 173.4869 120 K 5.0837 8.7046 122.7773 54.7474 35.6376 174.6160 121 Y 5.1527 9.2594 122.1321 56.6452 40.8244 174.3490 122 H 5.2106 9.6004 122.9331 54.6937 30.2073 174.9686 123 T 4.8427 8.5893 113.9717 60.6876 70.9474 174.5817 124 K 4.1823 8.6478 121.9420 55.9895 34.2898 182.5348 125 G 3.7532 8.0589 108.9735 45.9346 0.0000 175.8800 126 N 5.0695 8.8295 121.3715 52.1100 37.7375 174.0664 127 H 4.5429 8.1073 118.5226 56.9760 31.4907 175.7827 128 E 4.5936 8.3791 130.2762 55.5092 28.5175 179.7567 129 V 4.6324 7.0035 128.1337 62.0601 33.5187 170.6814 130 K 4.0316 7.3123 124.5058 55.5695 33.1148 178.4673 131 A 3.7224 8.7274 123.9232 55.4746 17.6805 180.1170 132 E 3.9885 8.0524 116.6133 59.6180 29.3102 179.3738 133 Q 3.7410 7.8701 117.5231 58.8159 28.9661 178.6940 134 V 3.6842 7.0848 111.6753 62.2250 32.4611 176.2915 135 K 4.5206 6.9206 120.0512 54.5686 30.1453 174.2238 136 A 4.6560 7.4770 128.9843 52.8635 26.3000 179.0970 137 S 4.1692 8.1905 111.2826 61.6084 62.8903 176.6534 138 K 4.0080 7.8801 123.3580 59.2399 32.0157 178.6228 139 E 4.0565 8.1917 118.4351 59.5130 29.3008 178.9482 140 M 4.1810 8.4440 118.4200 58.6193 32.4168 178.3720 141 G 3.8082 8.1897 105.8298 47.9860 0.0000 175.0782 142 E 3.9862 8.6797 121.7770 59.5910 29.6683 179.7585 143 T 3.9160 8.0127 115.3114 66.7967 68.5149 176.7987 144 L 4.1536 8.3924 121.1533 57.5970 41.5194 179.4041 145 L 3.1809 7.8733 120.5305 57.8150 41.9081 179.1938 146 R 3.8466 8.0710 117.8671 59.0274 30.1138 178.9022 147 A 3.9811 7.8849 120.2451 55.3053 18.4495 179.9321 148 V 3.6383 7.5857 116.4357 66.0754 31.6108 177.8604 149 E 3.9378 8.4746 119.5757 59.1518 29.4497 178.7659 150 S 4.1014 8.4079 113.6274 61.5241 62.4431 175.5576 151 Y 4.1771 8.0531 121.8866 60.7142 38.3376 177.8358 152 L 3.7730 7.9499 119.0863 57.3358 41.7448 179.1222 153 L 4.0716 7.5753 117.9605 57.5954 41.6762 178.9298 154 A 4.1252 7.6880 118.6082 53.9596 18.5177 178.2464 155 H 4.4813 7.6492 113.4507 56.3082 28.7787 178.4829 156 S 3.7126 6.9635 116.4118 61.1814 65.3009 175.0238 157 D 4.1518 8.7622 119.5156 55.3589 40.9713 176.3822 158 A 4.2030 7.2427 126.5329 52.2970 18.4498 177.0043 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 3 V 8.05 4.32 1.87 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 0.88 0.00 0.00 0.70 0.00 0.00 4 F 9.37 4.68 0.00 3.34 2.99 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 5 N 9.47 5.50 0.00 2.50 2.71 0.00 0.00 6.86 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 6 Y 9.24 4.89 0.00 3.12 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 7 E 9.04 5.36 0.00 1.86 1.87 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 2.24 2.34 0.00 8 I 8.75 4.90 1.95 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.10 0.97 0.00 0.00 9 E 8.76 5.37 0.00 1.83 1.83 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 2.24 2.31 0.00 10 T 8.76 4.88 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 1.25 0.00 0.00 11 T 8.52 5.14 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 1.22 0.00 0.00 12 S 9.01 4.90 0.00 3.76 3.62 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 13 V 8.85 3.73 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 0.89 0.00 0.00 0.91 0.00 0.00 14 I 7.63 4.08 1.83 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.90 0.90 0.00 0.00 15 P 0.00 4.53 0.00 2.22 2.24 0.00 3.84 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 2.05 1.88 0.00 16 A 8.35 3.72 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 A 7.57 3.96 1.58 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 18 R 7.84 3.98 0.00 1.91 2.04 0.00 3.19 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.71 0.00 19 L 7.89 4.01 0.00 1.80 1.63 0.78 0.88 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 20 F 8.29 4.20 0.00 3.37 3.41 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 21 K 8.08 3.98 0.00 2.27 2.03 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.70 7.81 22 A 7.92 4.07 1.48 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 0.00 0.00 23 F 8.57 4.57 0.00 3.00 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 24 I 7.29 3.45 0.95 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.77 -0.25 0.00 0.00 25 L 7.42 4.00 0.00 1.78 1.65 1.16 1.00 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 26 D 8.00 4.87 0.00 2.64 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.98 3.63 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 0.00 28 D 7.83 4.29 0.00 2.55 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.74 4.39 0.00 2.76 2.78 0.00 0.00 6.80 6.74 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 30 L 8.21 3.88 0.00 1.57 1.62 -0.08 0.89 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 31 V 8.04 3.56 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 0.99 0.00 0.00 0.89 0.00 0.00 32 P 0.00 4.45 0.00 2.00 2.04 0.00 4.04 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.97 0.00 33 K 7.19 4.09 0.00 1.78 1.76 0.00 1.58 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.40 1.73 7.81 34 V 7.54 4.12 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 0.47 0.00 0.00 0.94 0.00 0.00 35 A 8.45 4.79 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 36 P 0.00 4.67 0.00 2.20 2.29 0.00 3.39 0.00 0.00 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.95 0.00 37 Q 8.06 4.43 0.00 2.15 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.90 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 38 A 7.80 4.52 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 I 7.91 4.38 1.79 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 1.36 1.49 0.76 0.00 0.00 40 S 8.45 4.38 0.00 3.82 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 41 S 7.34 4.54 0.00 3.78 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 42 V 8.18 4.84 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 0.81 0.00 0.00 0.78 0.00 0.00 43 E 9.21 4.72 0.00 1.81 1.72 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 2.14 2.11 0.00 44 N 8.21 4.87 0.00 2.58 2.72 0.00 0.00 7.16 7.94 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 45 I 6.76 3.09 1.98 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 1.42 0.83 0.89 0.00 0.00 46 E 8.10 4.52 0.00 2.14 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 2.14 2.24 0.00 47 G 9.00 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 48 N 8.49 4.64 0.00 2.82 2.86 0.00 0.00 6.17 7.00 0.00 0.00 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 G 7.42 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.16 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 0.00 0.00 0.00 51 P 0.00 3.76 0.00 2.06 1.95 0.00 3.71 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.12 0.00 52 G 8.32 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 0.00 0.00 0.00 53 T 7.41 4.00 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 1.32 0.00 0.00 54 I 8.79 4.90 1.87 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 1.24 1.38 0.96 0.00 0.00 55 K 9.02 4.79 0.00 1.61 1.64 0.00 1.55 0.00 0.00 1.84 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.31 1.37 7.81 56 K 8.62 4.76 0.00 1.53 1.52 0.00 1.41 0.00 0.00 1.25 0.00 0.00 2.77 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.28 1.28 7.81 57 I 8.43 4.26 1.56 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.79 0.48 0.00 0.00 58 N 8.60 5.17 0.00 2.51 2.66 0.00 0.00 6.48 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 59 F 8.52 4.85 0.00 3.07 2.46 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 60 P 0.00 4.45 0.00 2.71 2.15 0.00 2.40 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.08 0.00 61 E 8.78 4.18 0.00 2.03 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 2.39 2.40 0.00 62 G 9.03 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 63 F 7.88 4.08 0.00 3.31 2.99 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 64 P 0.00 4.14 0.00 1.73 1.79 0.00 3.71 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.98 0.00 65 F 7.71 4.98 0.00 2.97 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 66 K 8.95 4.53 0.00 1.91 2.13 0.00 1.84 0.00 0.00 2.02 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.65 1.54 7.81 67 Y 7.36 5.20 0.00 3.05 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 68 V 8.55 4.89 2.16 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 0.91 0.00 0.00 1.09 0.00 0.00 69 K 9.04 5.11 0.00 1.75 1.73 0.00 1.87 0.00 0.00 1.66 0.00 0.00 2.73 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.42 1.63 7.81 70 D 8.77 5.41 0.00 2.66 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 71 R 9.06 5.01 0.00 1.82 1.76 0.00 3.09 0.00 0.00 3.08 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.73 0.00 72 V 8.95 3.79 2.35 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 0.63 0.00 0.00 1.04 0.00 0.00 73 D 8.79 4.78 0.00 2.52 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 74 E 7.37 4.73 0.00 1.81 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 0.00 2.26 2.23 0.00 75 V 8.28 4.74 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 0.97 0.00 0.00 1.00 0.00 0.00 76 D 9.17 4.80 0.00 2.71 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.76 4.43 0.00 3.17 3.31 0.00 5.74 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 T 7.80 3.90 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 1.11 0.00 0.00 79 N 8.49 4.61 0.00 2.88 2.77 0.00 0.00 7.17 7.33 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 80 F 6.50 2.30 0.00 3.23 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 81 K 7.62 5.39 0.00 1.89 1.96 0.00 1.47 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.45 7.81 82 Y 9.25 5.20 0.00 3.23 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 83 N 9.28 5.50 0.00 2.68 2.62 0.00 0.00 6.06 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 84 Y 8.43 5.24 0.00 3.02 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 85 S 8.92 4.94 0.00 3.69 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 86 V 8.70 4.51 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 0.99 0.00 0.00 0.95 0.00 0.00 87 I 8.53 4.47 1.88 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 1.41 0.86 0.95 0.00 0.00 88 E 8.24 4.60 0.00 2.08 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 2.40 2.36 0.00 89 G 8.73 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 0.00 0.00 0.00 90 G 7.86 3.07 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 0.00 0.00 0.00 0.00 0.00 0.00 91 P 0.00 4.32 0.00 2.14 2.21 0.00 2.94 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.68 0.00 92 V 7.70 3.63 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 1.06 0.00 0.00 0.94 0.00 0.00 93 G 8.01 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 94 D 7.93 4.72 0.00 2.66 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 95 T 7.93 4.47 3.61 0.00 0.00 0.00 0.00 0.00 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 96 L 7.44 4.95 0.00 1.67 1.63 1.04 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 97 E 9.28 4.45 0.00 1.86 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 2.48 0.00 98 K 7.48 4.55 0.00 1.55 1.57 0.00 1.54 0.00 0.00 1.78 0.00 0.00 2.80 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.34 1.37 7.81 99 I 8.19 4.82 1.74 0.00 0.00 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 1.24 0.83 0.51 0.00 0.00 100 S 8.70 4.91 0.00 3.74 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 0.00 101 N 8.66 5.39 0.00 1.72 2.55 0.00 0.00 5.95 7.32 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 0.00 102 E 9.30 5.04 0.00 1.97 1.75 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 2.28 2.35 0.00 103 I 8.99 5.04 2.13 0.00 0.00 1.00 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 1.14 1.11 0.00 0.00 104 K 9.36 5.07 0.00 1.85 1.74 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.47 7.81 105 I 8.71 4.70 1.85 0.00 0.00 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 1.39 0.95 0.83 0.00 0.00 106 V 8.88 4.61 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 0.79 0.00 0.00 1.03 0.00 0.00 107 A 8.69 4.59 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 0.00 108 T 8.24 4.61 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 1.20 0.00 0.00 109 P 0.00 4.39 0.00 2.06 2.16 0.00 3.68 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 2.03 2.11 0.00 110 D 8.03 4.36 0.00 2.65 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 0.00 111 G 8.08 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 0.00 112 G 7.85 4.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.32 5.07 0.00 3.01 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 0.00 114 V 8.76 4.84 2.09 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 1.11 0.00 0.00 0.94 0.00 0.00 115 L 9.20 4.89 0.00 1.70 1.68 0.97 0.64 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 0.00 116 K 9.07 4.70 0.00 1.82 1.79 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.85 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.45 7.81 117 I 8.63 4.99 1.97 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.00 1.02 0.00 0.00 118 S 9.12 5.25 0.00 3.90 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 0.00 119 N 9.27 5.42 0.00 2.72 2.35 0.00 0.00 6.68 8.26 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 0.00 120 K 8.70 5.08 0.00 1.71 1.60 0.00 1.59 0.00 0.00 1.69 0.00 0.00 2.84 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.50 1.34 7.81 121 Y 9.26 5.15 0.00 3.13 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 0.00 122 H 9.60 5.21 0.00 3.30 3.28 0.00 5.80 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 T 8.59 4.84 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 1.79 0.00 0.00 124 K 8.65 4.18 0.00 1.77 1.79 0.00 1.92 0.00 0.00 1.84 0.00 0.00 2.92 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.46 1.52 7.81 125 G 8.06 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 0.00 0.00 0.00 0.00 126 N 8.83 5.07 0.00 2.82 2.90 0.00 0.00 5.86 7.90 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 0.00 127 H 8.11 4.54 0.00 3.16 3.33 0.00 5.95 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 0.00 128 E 8.38 4.59 0.00 1.78 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 2.37 2.33 0.00 129 V 7.00 4.63 1.47 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 0.40 0.00 0.00 0.10 0.00 0.00 130 K 7.31 4.03 0.00 1.69 1.64 0.00 1.61 0.00 0.00 1.77 0.00 0.00 3.20 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.54 1.30 7.81 131 A 8.73 3.72 1.45 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 0.00 0.00 132 E 8.05 3.99 0.00 1.97 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 2.38 2.37 0.00 133 Q 7.87 3.74 0.00 1.95 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.95 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 134 V 7.08 3.68 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.58 0.00 0.00 135 K 6.92 4.52 0.00 1.78 1.83 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.54 7.81 136 A 7.48 4.66 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 0.00 137 S 8.19 4.17 0.00 4.15 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 0.00 138 K 7.88 4.01 0.00 1.84 1.87 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.47 1.53 7.81 139 E 8.19 4.06 0.00 2.23 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 2.42 2.39 0.00 140 M 8.44 4.18 0.00 2.41 2.14 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.70 0.00 141 G 8.19 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 0.00 0.00 0.00 142 E 8.68 3.99 0.00 2.26 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 2.37 2.54 0.00 143 T 8.01 3.92 4.48 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 1.28 0.00 0.00 144 L 8.39 4.15 0.00 2.12 2.06 1.00 0.73 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 0.00 145 L 7.87 3.18 0.00 1.43 1.81 0.50 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 146 R 8.07 3.85 0.00 2.02 1.96 0.00 3.33 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.79 0.00 147 A 7.88 3.98 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 V 7.59 3.64 2.18 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 1.08 0.00 0.00 1.17 0.00 0.00 149 E 8.47 3.94 0.00 2.06 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 2.28 2.27 0.00 150 S 8.41 4.10 0.00 4.06 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 0.00 151 Y 8.05 4.18 0.00 3.23 3.06 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 0.00 152 L 7.95 3.77 0.00 1.69 1.68 0.98 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 153 L 7.58 4.07 0.00 1.72 1.69 0.90 0.93 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 0.00 154 A 7.69 4.13 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 0.00 155 H 7.65 4.48 0.00 2.59 2.95 0.00 5.63 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 S 6.96 3.71 0.00 4.02 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 0.00 157 D 8.76 4.15 0.00 2.58 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 A 7.24 4.20 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 0.00 0.00 0.00 0.00 0.00