NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 I 4.0742 8.0244 120.7875 60.3085 39.0540 174.9055 4 K 3.9496 8.5894 129.6671 55.7995 32.7167 172.9806 5 E 4.3093 9.4050 127.1676 55.7249 31.2606 176.1419 6 L 4.4457 8.3288 122.6880 55.1180 42.6751 176.3784 7 H 4.4414 9.4146 123.3533 56.2100 31.2300 174.0473 8 V 4.4755 8.0569 125.3929 61.4277 32.8182 174.5654 9 K 4.4671 9.4205 130.4749 55.0950 34.0321 174.6653 10 T 5.0666 8.3998 124.4997 62.1409 70.5289 174.5586 11 V 4.5098 8.2238 123.7204 60.2809 35.5272 174.0771 12 K 4.7754 8.8456 121.3555 54.4082 33.8702 176.5473 13 R 4.4154 8.7154 120.5091 58.6484 30.2000 177.2609 14 G 3.9356 9.4645 111.8804 44.8575 0.0000 172.9485 15 E 4.2964 7.9338 120.7475 55.8158 31.3945 174.6714 16 N 5.2546 8.4575 120.5261 51.9673 40.1255 175.0408 17 V 4.4991 8.8033 116.6181 59.7183 35.8167 174.7057 18 T 4.8862 8.2319 118.3940 62.0784 71.7222 173.1249 19 M 4.6445 9.1750 126.2262 53.5493 34.6781 174.6867 20 E 5.3459 8.9260 122.4494 55.1447 31.9319 175.9381 21 C 5.0874 9.6321 122.7393 55.0220 47.5197 172.2922 22 S 5.2650 8.6729 120.3170 56.9992 62.9175 174.1005 23 M 4.2165 9.0157 126.9169 57.2062 32.2436 177.1956 24 S 4.0534 8.1048 116.4527 60.0942 63.3386 174.6184 25 K 3.6913 8.8125 121.2123 56.9110 29.9810 175.4960 26 V 3.7893 7.5154 118.8579 63.2948 31.9525 175.5237 27 T 4.1171 9.1134 124.6046 65.0531 69.3219 175.4160 28 N 4.6842 8.5419 127.0330 50.8940 39.2180 174.5553 29 K 3.3879 8.3241 125.1629 59.3208 32.1702 178.9911 30 N 4.4771 8.0450 113.7409 55.5686 38.7253 175.0340 31 N 4.9707 8.4240 115.0903 52.7015 40.5466 173.6603 32 L 4.9142 8.0052 122.4903 54.1366 44.0064 175.1918 33 A 5.3220 8.6491 124.7616 51.3361 23.4387 174.9958 34 W 5.5177 9.4508 119.6187 55.5775 31.9018 175.1720 35 Y 5.2929 10.1220 120.6625 56.3084 41.3720 174.6325 36 R 4.2120 8.9926 122.5979 54.2600 33.3839 173.7329 37 Q 4.6925 8.8274 128.5614 54.1205 31.4885 174.7407 38 S 4.5581 8.3874 123.1524 57.8247 64.4338 173.9812 39 F 4.1367 8.7535 125.6244 59.9041 39.4859 175.5282 40 G 3.7287 8.2909 115.3999 45.1693 0.0000 172.5665 41 K 4.6538 7.4018 117.9449 53.7577 35.3413 176.2256 42 V 3.8991 7.9954 119.6400 60.6502 32.2010 174.5770 43 P 4.7183 0.0000 0.0000 63.0229 32.0725 175.7536 44 Q 4.7929 8.7992 118.3116 54.0234 33.0002 174.0827 45 Y 3.5495 9.1677 123.8985 58.7820 38.7370 174.9873 46 F 4.7135 8.0538 127.2156 59.2690 42.4572 175.0750 47 V 4.3531 6.6479 114.9758 60.3509 33.9837 172.3688 48 R 5.4307 8.7507 119.9041 54.1459 32.8800 174.2286 49 Y 4.7985 8.6131 121.8575 59.0891 39.3461 175.8432 50 Y 4.5571 8.0324 127.2983 56.6540 41.5493 173.7982 51 S 4.1170 8.5874 123.7890 59.2769 63.1264 174.3565 52 S 4.5070 7.8633 118.4883 58.0543 64.9387 176.3827 53 N 4.4646 9.0918 117.5554 56.6371 38.2743 177.0631 54 S 4.0210 7.9083 111.1053 59.5546 63.4459 175.3717 55 G 3.8461 10.0778 108.5425 44.5328 0.0000 171.6120 56 Y 5.3283 6.7699 115.0875 56.2829 40.9451 174.2076 57 K 4.2846 8.9763 122.0277 55.2823 35.3802 175.4373 58 F 4.3304 8.8930 126.1923 56.6710 40.0149 175.2695 59 A 4.1428 8.5750 123.3855 52.3973 18.7364 178.7122 60 E 3.9155 9.1909 121.5003 59.3213 29.9165 178.2015 61 G 3.8580 8.2168 104.4322 45.6658 0.0000 172.5536 62 F 4.8281 7.9613 122.7406 56.3032 39.8315 175.7447 63 K 4.0413 7.6794 129.1466 54.2007 31.7735 173.9353 64 D 4.0839 6.4784 123.8284 54.2248 42.0978 175.4988 65 S 4.4023 8.3475 121.9489 59.6318 63.3253 175.8262 66 R 4.1249 8.1652 120.5255 58.4014 30.8692 176.6132 67 F 5.1140 8.1220 117.4296 56.9246 40.4020 175.2635 68 S 4.9650 9.0489 116.1419 58.0542 66.8519 172.4122 69 M 4.8229 7.7748 117.9761 53.5998 35.8474 175.7259 70 T 4.4831 8.4348 117.5791 62.0295 71.0697 173.4006 71 V 5.0239 8.4637 126.8912 61.2357 33.5804 174.1844 72 N 4.8603 8.8202 126.8748 52.4834 39.3495 173.8854 73 D 4.5610 9.0660 115.9903 58.2085 41.3028 177.4825 74 Q 4.3731 8.3017 117.0800 57.3792 30.2949 176.0084 75 K 5.0963 8.8261 117.3376 54.2744 36.2725 175.7826 76 F 5.4782 8.9915 123.6283 56.8140 38.6928 172.9098 77 D 5.3100 8.7582 121.5130 52.3032 43.9810 175.9199 78 L 4.4557 8.4902 125.3220 53.5259 43.8908 174.8166 79 N 5.4265 9.0682 123.2013 51.4920 42.1701 173.5878 80 I 4.5100 8.5394 122.1865 59.4586 41.0768 174.2713 81 I 4.5283 8.2146 127.6817 59.8180 38.6448 175.9293 82 G 3.5596 8.5432 115.2875 45.5172 0.0000 173.8827 83 A 4.1622 8.2505 121.2102 52.6820 19.3988 177.4304 84 R 4.9046 9.1991 121.6698 54.1704 33.7237 176.2150 85 E 2.7663 8.3666 122.7771 59.2825 29.5756 178.7088 86 D 4.6930 7.8247 115.9937 53.4493 39.8297 176.7265 87 D 4.7323 8.4358 121.0852 56.9895 41.1577 177.3779 88 G 4.0563 8.1235 107.6169 44.8815 0.0000 174.5887 89 G 3.8448 7.1429 107.2037 45.5548 0.0000 170.3585 90 E 5.1248 8.0054 119.5647 54.6476 32.8637 174.9590 91 Y 4.9150 8.8347 121.0835 56.1033 41.5569 174.6531 92 F 5.4889 9.5258 122.2901 55.9084 43.1157 172.8840 93 C 4.8853 9.3169 124.2991 54.8371 44.3189 172.7112 94 G 4.4472 9.2875 112.5468 44.4362 0.0000 170.4942 95 E 5.1554 8.7620 122.2890 53.9556 32.4744 175.0197 96 V 4.2988 8.3600 127.3456 62.2273 32.8240 175.0818 97 E 4.4301 8.7825 127.8493 55.2662 33.1386 176.7321 98 G 3.9403 9.1632 119.6138 46.6709 0.0000 173.3599 99 I 4.5070 8.8617 111.5471 59.8814 38.8235 174.6135 100 I 4.3541 7.5334 122.3050 59.7934 39.4046 174.4265 101 I 4.1624 8.1597 127.9521 60.1506 38.7774 174.7297 102 K 4.3164 8.4236 129.5779 54.5908 34.0196 175.5398 103 F 4.9989 8.6047 125.1800 57.2845 39.0125 175.9837 104 T 4.3071 8.7741 114.6740 62.2397 69.7746 174.4646 105 S 4.6970 7.7136 115.1091 58.3588 65.8179 174.9263 106 G 4.8105 8.1821 106.6358 46.0455 0.0000 171.6813 107 T 5.3521 9.1307 116.1314 61.5886 72.6160 173.5172 108 R 4.6326 9.0888 127.4959 55.6521 31.5931 174.6933 109 L 4.9423 9.0990 130.4813 53.9700 43.5169 175.2794 110 Q 5.0031 9.3069 123.9105 54.5691 32.8449 175.5079 111 F 5.0288 8.9194 116.7468 57.0330 39.3016 175.9805 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 I 8.02 4.07 1.87 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 1.30 1.35 0.91 0.00 0.00 4 K 8.59 3.95 0.00 1.84 1.74 0.00 1.75 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.45 1.63 7.81 5 E 9.41 4.31 0.00 2.04 1.90 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 2.34 2.35 0.00 6 L 8.33 4.45 0.00 1.59 1.70 1.10 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 7 H 9.41 4.44 0.00 3.31 3.26 0.00 5.76 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 V 8.06 4.48 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 0.79 0.00 0.00 0.93 0.00 0.00 9 K 9.42 4.47 0.00 1.83 1.58 0.00 1.57 0.00 0.00 1.56 0.00 0.00 2.92 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.22 1.34 7.81 10 T 8.40 5.07 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 11 V 8.22 4.51 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 -0.32 0.00 0.00 0.85 0.00 0.00 12 K 8.85 4.78 0.00 1.83 1.78 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.36 7.81 13 R 8.72 4.42 0.00 1.84 1.95 0.00 3.38 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.67 0.00 14 G 9.46 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 15 E 7.93 4.30 0.00 2.20 1.76 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 2.23 2.24 0.00 16 N 8.46 5.25 0.00 2.58 2.65 0.00 0.00 6.73 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 17 V 8.80 4.50 1.90 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 0.58 0.00 0.00 0.71 0.00 0.00 18 T 8.23 4.89 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 1.17 0.00 0.00 19 M 9.17 4.64 0.00 1.74 1.32 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.31 0.00 20 E 8.93 5.35 0.00 1.92 1.96 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 2.40 2.29 0.00 21 C 9.63 5.09 0.00 3.02 3.45 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 22 S 8.67 5.26 0.00 3.96 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 23 M 9.02 4.22 0.00 2.07 2.31 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.01 2.81 0.00 24 S 8.10 4.05 0.00 3.90 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 25 K 8.81 3.69 0.00 1.86 1.86 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.40 7.81 26 V 7.52 3.79 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 0.57 0.00 0.00 0.87 0.00 0.00 27 T 9.11 4.12 4.37 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 1.16 0.00 0.00 28 N 8.54 4.68 0.00 2.63 2.72 0.00 0.00 7.29 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 29 K 8.32 3.39 0.00 1.19 0.74 0.00 1.47 0.00 0.00 1.48 0.00 0.00 2.80 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.06 1.18 7.81 30 N 8.04 4.48 0.00 2.89 2.91 0.00 0.00 6.72 8.00 0.00 0.00 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 N 8.42 4.97 0.00 2.68 2.82 0.00 0.00 6.40 6.56 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 32 L 8.01 4.91 0.00 1.43 1.18 0.70 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 33 A 8.65 5.32 1.60 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 0.00 0.00 34 W 9.45 5.52 0.00 3.45 3.42 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 35 Y 10.12 5.29 0.00 3.30 3.16 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 0.00 36 R 8.99 4.21 0.00 0.73 0.94 0.00 2.21 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.50 0.00 37 Q 8.83 4.69 0.00 2.07 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.76 0.00 0.00 0.00 0.00 0.00 2.17 2.46 0.00 38 S 8.39 4.56 0.00 3.79 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 39 F 8.75 4.14 0.00 2.98 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 40 G 8.29 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 41 K 7.40 4.65 0.00 1.82 1.69 0.00 1.72 0.00 0.00 1.76 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.47 7.81 42 V 8.00 3.90 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 0.77 0.00 0.00 0.95 0.00 0.00 43 P 0.00 4.72 0.00 2.29 2.32 0.00 3.68 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.32 0.00 44 Q 8.80 4.79 0.00 1.94 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.86 0.00 0.00 0.00 0.00 0.00 2.48 2.45 0.00 45 Y 9.17 3.55 0.00 2.85 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 46 F 8.05 4.71 0.00 3.06 3.05 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 47 V 6.65 4.35 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 0.00 0.00 0.45 0.00 0.00 -0.09 0.00 0.00 48 R 8.75 5.43 0.00 2.14 2.48 0.00 3.03 0.00 0.00 3.32 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.78 0.00 49 Y 8.61 4.80 0.00 2.93 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 50 Y 8.03 4.56 0.00 3.16 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 51 S 8.59 4.12 0.00 3.76 3.78 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 52 S 7.86 4.51 0.00 3.97 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 53 N 9.09 4.46 0.00 2.72 2.92 0.00 0.00 6.85 7.57 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 54 S 7.91 4.02 0.00 3.03 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 55 G 10.08 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 56 Y 6.77 5.33 0.00 2.88 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 57 K 8.98 4.28 0.00 1.15 1.42 0.00 0.61 0.00 0.00 1.12 0.00 0.00 2.70 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.15 1.08 7.81 58 F 8.89 4.33 0.00 2.99 2.93 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 59 A 8.58 4.14 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 60 E 9.19 3.92 0.00 2.01 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 2.32 2.34 0.00 61 G 8.22 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 0.00 0.00 0.00 62 F 7.96 4.83 0.00 2.90 3.05 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 63 K 7.68 4.04 0.00 1.69 1.65 0.00 1.58 0.00 0.00 1.57 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.15 1.25 7.81 64 D 6.48 4.08 0.00 1.96 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 0.00 0.00 0.00 65 S 8.35 4.40 0.00 3.84 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 66 R 8.17 4.12 0.00 1.88 2.00 0.00 3.11 0.00 0.00 3.45 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.60 0.00 67 F 8.12 5.11 0.00 2.98 3.03 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 68 S 9.05 4.96 0.00 3.96 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 0.00 69 M 7.77 4.82 0.00 1.07 0.57 0.00 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.89 0.00 70 T 8.43 4.48 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 1.23 0.00 0.00 71 V 8.46 5.02 2.28 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 1.22 0.00 0.00 1.01 0.00 0.00 72 N 8.82 4.86 0.00 2.89 2.79 0.00 0.00 7.08 8.19 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 73 D 9.07 4.56 0.00 2.74 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 74 Q 8.30 4.37 0.00 2.10 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.82 0.00 0.00 0.00 0.00 0.00 2.45 2.48 0.00 75 K 8.83 5.10 0.00 1.74 1.75 0.00 1.96 0.00 0.00 1.62 0.00 0.00 2.79 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.41 7.81 76 F 8.99 5.48 0.00 3.06 3.04 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 77 D 8.76 5.31 0.00 2.76 2.50 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 78 L 8.49 4.46 0.00 0.45 0.81 0.46 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 79 N 9.07 5.43 0.00 2.49 2.53 0.00 0.00 6.47 7.24 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 80 I 8.54 4.51 1.51 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.01 0.41 0.00 0.00 81 I 8.21 4.53 1.80 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 1.10 0.47 0.88 0.00 0.00 82 G 8.54 3.56 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 0.00 0.00 0.00 83 A 8.25 4.16 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 R 9.20 4.90 0.00 1.95 1.96 0.00 3.14 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.50 0.00 85 E 8.37 2.77 0.00 1.97 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 0.00 2.22 2.25 0.00 86 D 7.82 4.69 0.00 2.83 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 87 D 8.44 4.73 0.00 3.11 3.01 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 88 G 8.12 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 89 G 7.14 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 0.00 0.00 0.00 90 E 8.01 5.12 0.00 1.56 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.27 0.00 91 Y 8.83 4.91 0.00 2.92 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 92 F 9.53 5.49 0.00 2.61 2.29 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 93 C 9.32 4.89 0.00 1.23 2.47 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 0.00 94 G 9.29 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 0.00 0.00 0.00 0.00 95 E 8.76 5.16 0.00 1.87 1.65 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 2.08 2.09 0.00 96 V 8.36 4.30 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 0.75 0.00 0.00 0.87 0.00 0.00 97 E 8.78 4.43 0.00 1.90 1.67 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 2.14 2.17 0.00 98 G 9.16 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 99 I 8.86 4.51 1.84 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 1.39 0.62 0.88 0.00 0.00 100 I 7.53 4.35 1.79 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 1.06 0.89 0.81 0.00 0.00 101 I 8.16 4.16 1.55 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.60 0.28 0.00 0.00 102 K 8.42 4.32 0.00 1.61 1.61 0.00 1.63 0.00 0.00 1.58 0.00 0.00 2.74 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.24 1.24 7.81 103 F 8.60 5.00 0.00 2.86 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 0.00 104 T 8.77 4.31 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 1.17 0.00 0.00 105 S 7.71 4.70 0.00 3.95 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 0.00 106 G 8.18 4.81 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 0.00 107 T 9.13 5.35 4.36 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 1.28 0.00 0.00 108 R 9.09 4.63 0.00 1.96 1.86 0.00 3.16 0.00 0.00 3.40 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 109 L 9.10 4.94 0.00 1.81 1.69 0.77 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 110 Q 9.31 5.00 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.54 0.00 0.00 0.00 0.00 0.00 2.33 2.26 0.00 111 F 8.92 5.03 0.00 3.02 3.04 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