NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.1902 8.1727 122.0547 56.2827 34.1092 174.0532 2 V 4.6656 8.1968 127.0369 60.5514 32.6165 174.3563 3 F 4.4138 10.1147 128.7958 57.6421 40.2198 174.7782 4 E 4.1783 9.5500 121.5221 55.5627 30.9218 176.6004 5 R 3.2967 9.0808 119.4762 61.1703 30.0323 179.0876 6 C 4.2924 8.1050 115.3418 59.9871 36.3093 175.7520 7 E 3.8746 8.1579 120.5418 59.1842 29.1614 178.5732 8 L 3.8100 8.0747 120.1231 57.9403 42.1622 178.5225 9 A 3.9407 7.9213 120.7278 55.4587 18.1837 179.8903 10 R 3.9427 8.0314 116.3940 59.4135 30.1466 179.3626 11 T 3.8619 7.5646 115.8239 66.5428 68.5876 176.7350 12 L 3.7664 8.0853 121.1796 57.5653 41.6266 179.2832 13 K 3.8454 7.9828 119.5536 59.6815 31.8684 178.5903 14 R 3.8834 8.0754 117.9488 59.3222 30.0657 177.6391 15 L 4.2994 7.4777 115.6189 54.7146 41.6951 177.3785 16 G 3.8840 7.9897 107.2577 46.4060 0.0000 174.8810 17 M 3.8950 7.7533 120.9251 56.5061 32.3004 175.5163 18 D 4.5791 8.0883 117.5789 55.3961 40.8626 175.3627 19 G 3.9409 9.0406 114.9447 46.1595 0.0000 171.8315 20 Y 4.0299 8.3795 121.8798 58.5842 38.9725 176.4624 21 R 3.5731 8.9969 126.7711 57.2816 27.7817 177.2292 22 G 3.7654 8.2973 102.6996 45.8094 0.0000 174.2074 23 I 4.0037 7.7035 122.3168 59.1676 36.9838 175.8475 24 S 4.6898 8.3081 120.5061 57.7921 63.7721 175.2047 25 L 4.2173 8.6868 122.9237 58.4042 41.7097 178.9662 26 A 4.1449 8.2229 120.2352 55.6068 18.3416 179.2599 27 N 4.4813 8.0996 114.9237 56.1864 38.5433 177.8197 28 W 4.2495 8.0761 120.0621 59.9300 29.1707 178.3640 29 M 4.1064 8.5126 118.9865 58.6338 31.4874 178.0504 30 C 3.2475 8.0810 118.5361 58.8953 44.7067 175.4940 31 L 3.9609 7.8899 121.8373 58.1777 41.8209 178.6052 32 A 4.3351 8.3058 122.1513 54.3940 18.3276 179.3755 33 K 3.0946 8.4323 118.2810 59.4610 32.0953 178.9576 34 W 4.3918 7.7829 116.5935 58.6568 29.1541 178.2438 35 E 4.3992 8.2436 118.7438 58.4656 29.1985 177.5046 36 S 4.5430 8.0054 109.5014 56.5071 64.6883 174.3337 37 G 3.9508 8.0445 108.4999 47.0515 0.0000 173.2316 38 Y 3.7151 7.8573 113.1797 58.7687 35.1319 168.4717 39 N 5.4181 7.5860 118.1803 51.9536 40.7046 174.7328 40 T 4.1898 9.0616 117.0816 63.9725 69.3343 175.8714 41 R 4.3054 7.9245 116.7829 55.7922 29.9061 175.9303 42 A 4.4135 7.8600 121.1639 52.8811 19.5169 177.4523 43 T 5.3493 8.2081 110.8869 59.5753 72.4475 173.3466 44 N 4.8911 8.4075 120.5250 51.8654 42.5311 172.7894 45 Y 4.6031 8.7761 125.9385 57.3523 40.3110 174.6236 46 N 4.6058 8.4053 124.5296 51.3396 39.2340 175.5505 47 A 3.9876 8.5188 128.1771 54.8559 19.0786 179.1242 48 G 3.7187 8.2042 104.3754 48.4800 0.0000 174.1855 49 D 4.7640 7.8333 117.7446 51.7201 39.7200 176.1513 50 R 3.6642 7.4851 116.3033 57.7130 28.3423 175.8454 51 S 4.8627 7.0208 109.5679 57.1380 66.7093 172.6564 52 T 5.0461 8.4725 114.8475 62.2294 73.1559 173.1169 53 D 5.5203 8.8133 125.5173 53.5375 43.2403 175.1587 54 Y 5.0745 9.0946 119.7444 57.5762 42.1854 176.7933 55 G 4.6472 9.1340 110.9157 46.2841 0.0000 173.5513 56 I 4.0555 8.0462 116.3881 62.8116 37.7502 177.2214 57 F 4.9000 7.8739 115.5260 56.4809 40.0946 175.0280 58 Q 3.6363 8.1397 119.3675 57.0710 26.7011 174.3746 59 I 4.3413 7.9820 118.3799 61.1987 38.7900 177.0779 60 N 5.4377 9.2588 126.3755 53.6449 39.8316 175.6000 61 S 4.5812 9.0585 119.8547 60.4475 63.3943 175.3401 62 R 3.7784 8.8555 122.6420 58.8469 30.2917 177.6521 63 Y 4.1041 7.7512 114.2731 57.3525 40.6732 177.1354 64 W 4.8493 7.9473 119.3962 57.5304 30.6312 173.7410 65 C 5.4800 7.9119 110.0103 53.3388 42.5559 172.6431 66 N 4.6950 8.9956 121.3634 52.9992 38.8964 174.9910 67 D 4.7581 8.6323 123.5966 52.2851 40.5165 177.1339 68 G 3.9879 8.6740 108.0017 46.0332 0.0000 174.2760 69 K 4.5827 8.4626 116.7492 56.3702 33.6666 175.7061 70 T 4.5703 7.7940 116.8892 61.3098 69.6718 172.1286 71 P 4.3176 0.0000 0.0000 63.9544 31.5430 176.3297 72 G 3.8060 8.9454 110.2300 46.1133 0.0000 173.0412 73 A 4.2744 7.5435 120.3813 51.7746 19.2650 177.4452 74 V 4.3630 8.6195 112.4136 59.5940 35.6993 176.2624 75 N 4.9784 8.2985 118.5520 51.8912 38.2435 174.2960 76 A 4.0994 9.1792 125.9416 54.3577 19.0589 178.3349 77 C 4.6257 8.4599 111.4265 56.5755 40.6746 173.6698 78 G 4.0215 7.7768 108.0177 46.4468 0.0000 173.6355 79 L 4.8282 8.5079 117.2584 52.3073 46.0007 176.4095 80 S 4.6362 8.3548 115.7168 57.9680 63.2959 175.9921 81 C 3.9963 8.5300 124.5369 59.6685 40.7914 176.4442 82 S 3.9033 7.8192 114.5269 61.1296 61.6909 175.8523 83 A 4.0626 7.9904 122.8320 54.2605 17.7912 177.9060 84 L 4.4856 7.7567 116.3779 54.8908 41.8698 177.4571 85 L 5.0147 7.8929 117.5999 54.6076 42.2233 176.6219 86 Q 4.4521 7.7992 117.6251 55.0953 29.9122 175.9143 87 D 4.4829 8.5447 119.5640 57.2441 41.1834 177.2689 88 N 4.5475 8.0387 117.4751 53.4266 39.5114 174.8925 89 I 4.1678 8.3829 117.9077 60.7426 38.3001 177.1446 90 A 3.9217 8.1573 124.3233 56.0248 18.1440 179.5920 91 D 4.2885 8.0794 116.2058 57.4428 40.9005 178.7479 92 A 4.0681 7.9447 120.8651 55.1149 18.3548 179.7256 93 V 3.4219 8.2163 117.1062 65.9358 31.6504 178.2072 94 A 3.8299 8.0396 120.6756 55.0359 18.1416 178.8585 95 C 4.2227 8.4186 117.0366 59.6181 38.7551 175.5308 96 A 4.0019 8.2780 122.8144 55.0900 17.6446 179.7383 97 K 3.7536 7.6753 115.9680 59.5603 32.4754 179.0903 98 R 4.0730 7.7334 118.4283 59.4176 30.0706 178.5908 99 V 2.6400 7.5579 117.8821 65.8036 31.3307 178.0198 100 V 4.0464 7.7672 109.9916 62.8382 31.3066 178.0929 101 R 4.2291 7.6773 117.2184 57.3408 30.4469 176.5243 102 D 4.7179 7.4947 119.0661 52.5667 41.8790 175.3870 103 P 4.1867 0.0000 0.0000 66.4054 31.1187 177.7842 104 Q 4.0167 8.0966 117.5931 56.4262 30.0329 177.0186 105 G 3.8329 7.8357 106.7492 47.1556 0.0000 176.3560 106 I 3.6284 7.7311 122.4971 62.7367 37.8971 177.2902 107 R 4.2273 7.2052 117.5314 57.6836 29.9895 177.4128 108 A 3.9816 7.5051 121.0740 54.0396 18.6285 177.5716 109 W 4.6859 7.8606 115.8684 55.3031 29.6961 177.2740 110 V 3.7192 8.7318 124.0445 66.0545 30.9547 177.4704 111 A 4.1182 8.3648 120.0383 54.8861 18.0343 179.3259 112 W 3.9315 8.5204 126.8247 60.8657 30.6743 178.5117 113 R 3.7811 8.3428 116.0674 59.1193 29.5484 178.5800 114 N 4.3662 8.3052 115.9877 55.8816 38.8262 176.9508 115 R 4.1431 7.9586 115.3913 55.9854 30.8160 176.0427 116 C 4.5970 7.7347 115.2891 57.3959 41.4114 174.8752 117 Q 3.1547 6.5587 120.3996 56.9245 28.9239 175.4401 118 N 4.3276 8.5849 120.6897 54.3970 36.2982 173.7998 119 R 4.5009 7.0306 115.0537 54.0775 33.3383 175.5402 120 D 4.5796 8.4439 118.7414 53.9289 40.3460 175.9582 121 V 4.5329 8.1585 119.0603 61.1952 32.7870 178.1524 122 R 4.0062 7.9973 120.7530 59.6500 29.6980 178.4823 123 Q 3.9839 8.1317 115.2178 59.6378 28.1502 178.2863 124 Y 4.3630 7.9394 117.8595 60.0544 38.3938 176.6555 125 V 4.2930 7.9445 111.2582 61.0801 33.0300 175.8122 126 Q 4.1994 7.9710 119.9796 57.2980 28.7807 176.8009 127 G 3.9541 8.9746 110.6150 45.9289 0.0000 174.3646 128 C 4.4322 8.1896 116.3936 56.5145 40.6766 174.9778 129 G 3.8740 8.0738 107.1468 46.2735 0.0000 174.2379 130 V 3.9210 7.1901 116.7205 61.2097 31.6587 176.0094 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 K 8.17 4.19 0.00 2.02 1.72 0.00 1.27 0.00 0.00 0.96 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.95 1.16 7.81 2 V 8.20 4.67 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 0.92 0.00 0.00 0.99 0.00 0.00 3 F 10.11 4.41 0.00 2.80 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 4 E 9.55 4.18 0.00 2.03 1.88 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 2.32 2.25 0.00 5 R 9.08 3.30 0.00 2.06 1.92 0.00 3.48 0.00 0.00 3.51 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.86 0.00 6 C 8.10 4.29 0.00 3.01 3.13 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 0.00 7 E 8.16 3.87 0.00 2.04 2.23 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 2.52 2.38 0.00 8 L 8.07 3.81 0.00 1.52 1.43 -0.19 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 9 A 7.92 3.94 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 10 R 8.03 3.94 0.00 1.90 1.99 0.00 3.14 0.00 0.00 3.26 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 11 T 7.56 3.86 4.32 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 1.18 0.00 0.00 12 L 8.09 3.77 0.00 1.70 1.52 0.88 0.25 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 13 K 7.98 3.85 0.00 1.97 1.93 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.48 7.81 14 R 8.08 3.88 0.00 2.08 2.03 0.00 3.30 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 15 L 7.48 4.30 0.00 1.68 1.55 0.85 0.93 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 16 G 7.99 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 0.00 0.00 0.00 17 M 7.75 3.90 0.00 1.24 1.92 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.20 0.00 18 D 8.09 4.58 0.00 2.66 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 19 G 9.04 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 Y 8.38 4.03 0.00 3.36 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 21 R 9.00 3.57 0.00 1.84 1.82 0.00 3.24 0.00 0.00 2.97 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.29 0.00 22 G 8.30 3.77 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 0.00 0.00 0.00 23 I 7.70 4.00 1.84 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.59 -0.36 0.00 0.00 24 S 8.31 4.69 0.00 4.07 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 25 L 8.69 4.22 0.00 2.07 1.81 1.02 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.22 4.14 1.53 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 0.00 0.00 0.00 0.00 0.00 0.00 27 N 8.10 4.48 0.00 2.77 2.86 0.00 0.00 7.05 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 28 W 8.08 4.25 0.00 3.56 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 29 M 8.51 4.11 0.00 2.08 2.32 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.93 0.00 30 C 8.08 3.25 0.00 2.51 3.13 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 0.00 31 L 7.89 3.96 0.00 1.93 1.85 0.75 -0.54 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 32 A 8.31 4.34 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 33 K 8.43 3.09 0.00 1.85 1.72 0.00 0.69 0.00 0.00 0.64 0.00 0.00 2.61 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.32 0.54 7.81 34 W 7.78 4.39 0.00 3.38 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 35 E 8.24 4.40 0.00 2.09 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 0.00 2.59 2.60 0.00 36 S 8.01 4.54 0.00 4.06 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 0.00 37 G 8.04 3.95 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 0.00 0.00 0.00 38 Y 7.86 3.72 0.00 3.24 3.02 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 0.00 0.00 0.00 39 N 7.59 5.42 0.00 2.67 2.85 0.00 0.00 7.07 7.58 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 40 T 9.06 4.19 4.42 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 1.39 0.00 0.00 41 R 7.92 4.31 0.00 2.01 2.09 0.00 3.08 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.75 0.00 42 A 7.86 4.41 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 43 T 8.21 5.35 4.10 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 0.00 0.00 1.13 0.00 0.00 44 N 8.41 4.89 0.00 2.81 2.74 0.00 0.00 6.75 7.48 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 45 Y 8.78 4.60 0.00 2.93 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 46 N 8.41 4.61 0.00 2.52 2.59 0.00 0.00 6.62 8.17 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 47 A 8.52 3.99 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 48 G 8.20 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 49 D 7.83 4.76 0.00 2.74 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 50 R 7.49 3.66 0.00 1.99 2.11 0.00 3.16 0.00 0.00 3.35 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.55 0.00 51 S 7.02 4.86 0.00 3.91 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 52 T 8.47 5.05 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 53 D 8.81 5.52 0.00 2.80 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 54 Y 9.09 5.07 0.00 2.89 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 55 G 9.13 4.65 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 0.00 0.00 0.00 56 I 8.05 4.06 1.63 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 1.66 0.06 0.00 0.00 57 F 7.87 4.90 0.00 3.17 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 58 Q 8.14 3.64 0.00 2.53 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.84 0.00 0.00 0.00 0.00 0.00 2.43 2.68 0.00 59 I 7.98 4.34 2.13 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.22 1.11 0.00 0.00 60 N 9.26 5.44 0.00 3.08 3.01 0.00 0.00 6.97 7.71 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 61 S 9.06 4.58 0.00 4.18 4.44 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.86 3.78 0.00 1.59 1.28 0.00 2.61 0.00 0.00 2.80 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.03 0.00 63 Y 7.75 4.10 0.00 1.49 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 0.00 0.00 0.00 64 W 7.95 4.85 0.00 3.59 3.26 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 65 C 7.91 5.48 0.00 3.19 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 66 N 9.00 4.69 0.00 2.81 2.72 0.00 0.00 6.78 9.19 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 67 D 8.63 4.76 0.00 2.88 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 68 G 8.67 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 69 K 8.46 4.58 0.00 1.89 1.88 0.00 1.67 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.48 7.81 70 T 7.79 4.57 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 1.18 0.00 0.00 71 P 0.00 4.32 0.00 2.01 2.01 0.00 3.78 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 72 G 8.95 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 73 A 7.54 4.27 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 74 V 8.62 4.36 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 0.63 0.00 0.00 0.87 0.00 0.00 75 N 8.30 4.98 0.00 2.71 2.64 0.00 0.00 6.77 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 76 A 9.18 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 77 C 8.46 4.63 0.00 3.34 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 78 G 7.78 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 79 L 8.51 4.83 0.00 1.66 1.51 0.95 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 80 S 8.35 4.64 0.00 3.83 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 81 C 8.53 4.00 0.00 2.26 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 82 S 7.82 3.90 0.00 3.89 3.82 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 0.00 0.00 0.00 0.00 83 A 7.99 4.06 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 84 L 7.76 4.49 0.00 1.91 1.79 1.06 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 85 L 7.89 5.01 0.00 1.81 1.71 1.17 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 86 Q 7.80 4.45 0.00 2.24 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.26 7.09 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 87 D 8.54 4.48 0.00 2.64 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 88 N 8.04 4.55 0.00 2.69 2.73 0.00 0.00 6.91 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 89 I 8.38 4.17 1.70 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.94 0.82 0.00 0.00 90 A 8.16 3.92 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 91 D 8.08 4.29 0.00 2.73 2.73 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 92 A 7.94 4.07 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 V 8.22 3.42 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 0.76 0.00 0.00 0.79 0.00 0.00 94 A 8.04 3.83 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 C 8.42 4.22 0.00 3.13 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 96 A 8.28 4.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 K 7.68 3.75 0.00 1.60 1.32 0.00 1.30 0.00 0.00 0.75 0.00 0.00 2.37 0.00 0.00 2.57 0.00 0.00 0.00 0.00 0.30 1.06 7.81 98 R 7.73 4.07 0.00 1.98 2.13 0.00 3.26 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.89 0.00 99 V 7.56 2.64 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 -0.27 0.00 0.00 -0.44 0.00 0.00 100 V 7.77 4.05 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 1.15 0.00 0.00 1.44 0.00 0.00 101 R 7.68 4.23 0.00 2.11 2.05 0.00 3.25 0.00 0.00 3.32 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 2.01 0.00 102 D 7.49 4.72 0.00 3.06 2.61 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 0.00 103 P 0.00 4.19 0.00 2.14 2.21 0.00 3.77 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 1.98 2.02 0.00 104 Q 8.10 4.02 0.00 2.05 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.69 0.00 0.00 0.00 0.00 0.00 2.41 2.30 0.00 105 G 7.84 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 0.00 0.00 0.00 106 I 7.73 3.63 1.05 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.21 -0.36 -0.54 0.00 0.00 107 R 7.21 4.23 0.00 1.96 2.00 0.00 3.20 0.00 0.00 3.27 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.43 0.00 108 A 7.51 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 W 7.86 4.69 0.00 3.64 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 0.00 110 V 8.73 3.72 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 1.12 0.00 0.00 1.00 0.00 0.00 111 A 8.36 4.12 1.54 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 0.00 0.00 112 W 8.52 3.93 0.00 3.51 3.55 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.34 3.78 0.00 2.05 2.04 0.00 3.54 0.00 0.00 3.57 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.29 0.00 114 N 8.31 4.37 0.00 2.70 2.68 0.00 0.00 6.90 7.35 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 0.00 115 R 7.96 4.14 0.00 0.74 0.75 0.00 2.73 0.00 0.00 2.84 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.76 0.00 116 C 7.73 4.60 0.00 1.56 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 0.00 117 Q 6.56 3.15 0.00 0.93 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 6.34 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 118 N 8.58 4.33 0.00 2.79 2.81 0.00 0.00 6.83 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 0.00 119 R 7.03 4.50 0.00 1.90 1.79 0.00 3.19 0.00 0.00 3.07 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.32 0.00 120 D 8.44 4.58 0.00 2.63 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 0.00 121 V 8.16 4.53 2.42 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 0.99 0.00 0.00 1.05 0.00 0.00 122 R 8.00 4.01 0.00 2.04 2.02 0.00 3.17 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 123 Q 8.13 3.98 0.00 2.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.12 0.00 0.00 0.00 0.00 0.00 2.04 1.61 0.00 124 Y 7.94 4.36 0.00 3.20 3.12 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 0.00 0.00 0.00 125 V 7.94 4.29 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 1.06 0.00 0.00 126 Q 7.97 4.20 0.00 2.04 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.79 0.00 0.00 0.00 0.00 0.00 2.45 2.31 0.00 127 G 8.97 3.95 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 0.00 0.00 0.00 128 C 8.19 4.43 0.00 3.15 3.13 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 0.00 129 G 8.07 3.87 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 0.00 0.00 0.00 130 V 7.19 3.92 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 0.70 0.00 0.00 0.97 0.00 0.00