NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2652 8.1227 123.5844 52.0992 20.0107 174.7754 3 V 4.4838 8.1084 119.0553 61.4108 32.7332 171.3558 4 E 4.3788 9.5721 126.6978 57.1107 33.5562 174.9175 5 Y 5.0936 8.3691 116.9373 55.9477 41.2498 174.9093 6 L 4.9876 8.5298 126.0028 53.7332 43.7010 175.0311 7 V 4.6766 8.7022 128.2028 61.8926 32.8266 176.3382 8 D 4.3196 8.1958 128.2454 52.0092 42.5797 176.7703 9 A 3.8859 7.9669 120.0351 55.6738 18.1338 179.8728 10 S 4.0019 7.9579 112.1117 61.4884 62.8412 176.5094 11 A 3.9410 8.7337 124.6472 54.8243 18.2243 179.1092 12 L 3.6279 8.2253 119.2865 58.6057 41.7922 178.6244 13 Y 3.9281 8.1764 118.3299 60.4545 38.9957 177.7447 14 A 4.1578 7.8759 121.4228 55.3198 18.6586 179.4729 15 L 4.3494 8.3086 117.5909 58.0103 41.4407 179.2531 16 A 4.4777 7.8773 118.3484 53.7181 18.3534 178.0414 17 A 4.6287 8.3077 118.0055 51.6901 20.9175 176.2393 18 H 5.1058 8.6072 115.2459 54.5745 29.8232 174.8413 19 Y 3.4155 8.2564 123.0159 61.0728 38.7859 176.6358 20 D 4.1143 7.9779 117.5382 57.0831 40.9667 178.5007 21 K 4.2069 7.4664 117.9790 57.6983 32.3608 177.4419 22 W 5.1476 7.2062 113.7606 54.6147 29.8371 176.9828 23 I 3.2193 6.7763 114.1362 64.2597 36.3877 177.6434 24 K 3.2299 7.7310 120.1718 58.0915 32.0478 176.8558 25 H 4.8532 8.0837 115.0803 55.3183 29.1019 175.8040 26 R 3.8419 8.7890 122.1558 59.4917 28.7937 178.3043 27 E 3.5803 8.2442 115.3311 57.8571 29.5886 177.3605 28 K 5.1914 8.3297 117.9695 55.7844 33.1740 175.3111 29 L 5.3163 8.8434 121.6594 52.9504 43.8823 175.5257 30 A 5.4777 9.1376 124.6002 50.5522 23.6050 174.7009 31 I 4.9049 8.6149 111.6134 59.7047 41.6106 174.2256 32 L 5.0039 8.5032 120.8900 53.2182 44.6262 177.4402 33 H 4.2560 8.6350 116.5163 58.9077 29.1261 177.9019 34 L 4.2482 8.2385 120.6366 58.7070 41.7945 178.8445 35 T 4.0048 7.8654 115.0636 66.8075 68.3234 176.5844 36 I 3.6056 7.6559 121.1865 64.5774 37.1226 178.1035 37 Y 4.0351 7.6760 117.0518 61.0169 37.5533 178.1856 38 E 3.9441 8.3437 118.5466 59.1389 29.8710 178.9838 39 A 4.2531 8.1312 120.9492 55.3191 18.5874 179.7984 40 G 3.7648 8.1799 104.1872 48.1979 0.0000 175.1598 41 N 4.6173 8.3490 118.4663 55.9352 38.9931 176.8937 42 A 3.9907 8.0044 122.6418 54.8107 18.5374 179.2972 43 L 4.1220 7.9970 118.4934 57.8806 42.2186 178.7085 44 W 4.1815 8.4531 128.4782 60.5170 30.7413 178.0572 45 K 3.2119 7.8892 117.8268 59.3477 31.4199 179.2310 46 E 3.9361 8.0433 118.4687 59.1728 29.2036 179.2640 47 A 3.9751 8.2159 121.4363 55.1085 18.1621 179.9222 48 R 3.6628 7.6864 116.1483 58.5405 29.9598 178.0872 49 L 4.4803 7.0201 116.8962 54.6739 42.1300 177.5611 50 G 3.9940 7.6829 107.5694 44.9968 0.0000 174.6985 51 R 3.9677 7.8273 120.9133 56.4717 30.3862 176.5006 52 V 3.9326 8.6339 125.9768 65.6649 32.0843 176.4704 53 D 4.7348 7.8310 119.6653 53.2649 40.6456 178.7585 54 W 4.1998 8.0415 119.7323 60.7521 28.1945 176.5474 55 A 3.5890 6.1515 119.8683 54.6858 17.8771 178.9601 56 A 3.9632 7.6181 118.3456 55.2720 18.4924 179.5738 57 A 3.9932 8.2177 119.5862 55.1632 18.5453 180.0078 58 S 4.2337 8.5253 113.3363 61.5678 63.0197 177.0567 59 R 3.9736 7.7349 121.9982 59.2781 29.7814 178.3413 60 H 4.1483 8.1253 117.7057 59.1053 29.9272 176.9651 61 L 3.9106 7.9967 122.2702 57.5453 41.8375 178.9083 62 K 3.9086 7.8179 119.4410 59.2648 31.9962 178.4785 63 K 3.8613 7.7443 118.3526 59.6862 32.3418 178.2159 64 V 4.2158 7.8805 118.2818 66.6063 31.3363 177.7845 65 L 3.8815 8.2450 118.6207 57.9748 41.2825 179.6455 66 S 4.3933 8.0632 112.6693 60.6450 63.1984 175.6979 67 S 4.5404 8.4577 117.4175 58.4163 63.1804 173.3855 68 F 5.0579 7.6452 121.1956 55.2809 41.1636 175.9598 69 K 4.3259 8.6976 121.6967 56.5211 33.5568 176.1784 70 V 4.7247 8.1007 121.5327 61.0585 33.3523 175.3852 71 L 4.3894 8.4354 128.1729 54.2650 42.4139 177.2268 72 E 4.2565 8.6062 120.0593 56.1972 30.1589 176.9869 73 D 4.5422 8.3938 121.0532 53.8221 41.5289 174.9850 74 P 4.5163 0.0000 0.0000 61.1556 32.4923 174.5724 75 P 4.3412 0.0000 0.0000 62.2807 31.0454 177.2098 76 L 4.0699 8.6070 126.5776 59.0286 41.6538 177.2120 77 D 4.2283 8.2856 115.3246 58.8327 41.0848 177.9014 78 E 3.7136 8.8127 117.6676 59.1311 29.6068 180.2953 79 V 3.1074 6.4216 117.0455 65.7135 32.3847 177.9557 80 L 4.0361 7.8169 120.1261 58.2928 41.8494 178.9445 81 R 3.8391 8.4701 118.6907 59.5034 30.0138 178.4561 82 V 3.5899 7.8448 117.2866 66.1100 31.4297 177.7113 83 A 3.9495 8.0852 120.3585 55.0428 18.3306 179.7961 84 V 3.5285 7.9713 116.8911 66.2366 31.4079 178.2092 85 E 4.0757 8.1780 117.1149 58.9796 29.3895 178.6008 86 R 4.5189 8.0276 115.2287 54.6216 30.6827 176.4185 87 G 3.9769 7.5085 105.6132 46.7973 0.0000 173.5114 88 L 4.6598 7.6016 117.8854 52.6584 44.5169 177.0304 89 T 4.4177 7.9671 110.3863 60.9400 71.5085 175.3959 90 F 3.7587 8.5134 122.5933 61.2884 39.0447 176.7868 91 Y 4.2586 7.6319 115.2951 61.2028 38.1283 177.4655 92 D 4.7271 8.2788 119.3298 57.5813 40.9441 178.5717 93 A 3.9693 8.1891 121.3289 55.5678 18.1170 179.6347 94 S 3.8125 7.7473 113.1271 62.0831 62.7471 176.6288 95 Y 4.1536 8.3396 119.1093 60.6538 37.8074 177.8133 96 A 4.0774 8.0120 121.4309 55.1245 18.4521 178.9497 97 Y 3.7893 8.2990 118.2391 60.8149 38.9680 177.9338 98 V 3.5372 7.7002 118.7516 66.0434 31.5403 177.4294 99 A 3.9930 7.7941 119.8070 56.0159 18.1602 178.9247 100 E 4.0497 8.0203 116.7348 59.1469 29.2836 179.4242 101 S 3.5450 7.9140 116.1591 60.7428 63.0736 175.5176 102 S 4.5299 7.8252 115.4042 57.2859 62.9932 173.8924 103 G 3.9486 8.4491 108.7234 46.5945 0.0000 173.7071 104 L 4.6318 8.3788 118.6349 52.6645 44.6013 176.8779 105 V 4.0782 8.1293 121.5618 61.2538 32.7312 174.9565 106 L 4.4603 8.5748 131.4831 55.3528 43.5323 175.4955 107 V 4.8604 9.0667 127.3798 61.6473 33.1858 174.2434 108 T 4.8982 8.6434 122.2649 60.4417 71.0606 173.6683 109 Q 4.3688 8.3000 127.0828 56.0538 29.2153 175.2367 110 D 4.7031 8.3264 117.6790 52.8946 42.2880 176.4886 111 R 3.8870 8.6303 127.4658 59.7433 29.8952 178.3979 112 E 3.9728 8.6767 118.1235 59.1960 29.8162 178.4961 113 L 4.2194 7.8864 118.4896 57.3599 41.7316 178.8442 114 L 3.9813 8.0346 118.2953 57.8011 41.6386 178.9950 115 A 4.2951 7.8372 118.6827 53.4478 18.7432 178.6591 116 K 4.6951 7.4817 114.4169 55.3906 32.8174 176.2072 117 T 4.6138 7.2423 116.5137 61.2483 70.6068 173.2364 118 K 3.8345 8.2768 125.2213 58.0572 32.3467 177.2649 119 G 3.8782 8.9861 110.2839 45.9329 0.0000 173.1362 120 A 4.5619 8.1459 121.8477 51.6853 19.1265 177.5999 121 I 4.7784 8.7158 114.1533 59.2158 42.0599 174.5106 122 D 5.2654 8.1996 122.2163 51.6040 42.1470 177.1651 123 V 3.5110 8.5419 116.7824 66.3093 31.3825 177.4693 124 E 3.8937 8.2571 118.3272 59.7225 29.3373 178.4776 125 T 3.8475 8.5315 115.9697 66.8837 68.7161 176.1962 126 L 3.7424 7.9459 121.7924 58.0873 41.7792 179.0016 127 L 4.0577 7.7618 118.2350 57.4496 41.6947 179.5421 128 V 3.7550 7.8924 112.6754 64.4072 31.4154 178.4082 129 R 3.8680 7.6854 117.5716 59.5310 28.9331 178.8833 130 L 3.7623 7.8126 117.8638 57.9560 41.3494 179.7309 131 A 4.0979 7.4939 119.5536 54.8942 18.3500 179.3029 132 A 4.0613 7.8610 118.4197 55.4693 18.6856 177.5744 133 Q 4.1287 7.3146 116.2568 56.3270 28.7552 176.4242 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 2 A 8.12 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 3 V 8.11 4.48 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 0.85 0.00 0.00 0.96 0.00 0.00 4 E 9.57 4.38 0.00 1.76 1.24 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 2.17 2.26 0.00 5 Y 8.37 5.09 0.00 2.96 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 6 L 8.53 4.99 0.00 1.81 1.64 1.10 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 7 V 8.70 4.68 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 0.68 0.00 0.00 0.97 0.00 0.00 8 D 8.20 4.32 0.00 1.62 1.78 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 9 A 7.97 3.89 1.28 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 0.00 0.00 10 S 7.96 4.00 0.00 4.02 4.07 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 11 A 8.73 3.94 1.34 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 12 L 8.23 3.63 0.00 1.55 1.84 0.86 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 13 Y 8.18 3.93 0.00 3.14 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 14 A 7.88 4.16 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 15 L 8.31 4.35 0.00 1.72 1.55 0.63 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 16 A 7.88 4.48 1.34 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 17 A 8.31 4.63 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 18 H 8.61 5.11 0.00 3.44 3.36 0.00 5.64 0.00 0.00 0.00 0.00 8.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 Y 8.26 3.42 0.00 2.97 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 20 D 7.98 4.11 0.00 2.61 2.63 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 21 K 7.47 4.21 0.00 1.93 1.92 0.00 1.58 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.45 7.81 22 W 7.21 5.15 0.00 3.49 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 23 I 6.78 3.22 1.41 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 0.46 -0.36 0.05 0.00 0.00 24 K 7.73 3.23 0.00 1.59 1.66 0.00 1.62 0.00 0.00 1.51 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.15 1.42 7.81 25 H 8.08 4.85 0.00 3.37 3.31 0.00 5.71 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 R 8.79 3.84 0.00 2.00 2.40 0.00 2.78 0.00 0.00 3.41 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 27 E 8.24 3.58 0.00 2.11 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 0.00 2.30 2.30 0.00 28 K 8.33 5.19 0.00 2.10 2.05 0.00 1.84 0.00 0.00 1.83 0.00 0.00 3.01 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.62 1.41 7.81 29 L 8.84 5.32 0.00 1.54 1.45 0.99 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 30 A 9.14 5.48 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 31 I 8.61 4.90 1.89 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.74 0.77 0.00 0.00 32 L 8.50 5.00 0.00 1.56 1.51 0.33 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 33 H 8.64 4.26 0.00 3.43 3.56 0.00 5.63 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 L 8.24 4.25 0.00 1.76 1.73 1.27 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 35 T 7.87 4.00 4.34 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 1.16 0.00 0.00 36 I 7.66 3.61 1.38 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 1.43 0.90 0.61 0.00 0.00 37 Y 7.68 4.04 0.00 3.21 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 38 E 8.34 3.94 0.00 1.98 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 2.20 2.22 0.00 39 A 8.13 4.25 1.44 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 0.00 0.00 40 G 8.18 3.76 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 0.00 0.00 0.00 41 N 8.35 4.62 0.00 2.97 2.97 0.00 0.00 7.05 8.36 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 42 A 8.00 3.99 0.90 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 43 L 8.00 4.12 0.00 1.95 1.87 1.16 1.15 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 44 W 8.45 4.18 0.00 3.52 3.47 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 45 K 7.89 3.21 0.00 1.90 1.63 0.00 1.67 0.00 0.00 1.59 0.00 0.00 3.06 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.19 1.79 7.81 46 E 8.04 3.94 0.00 2.26 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 0.00 2.35 2.45 0.00 47 A 8.22 3.98 1.05 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 48 R 7.69 3.66 0.00 1.34 1.58 0.00 3.11 0.00 0.00 3.07 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.60 0.00 49 L 7.02 4.48 0.00 1.60 1.59 0.82 0.87 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 50 G 7.68 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 51 R 7.83 3.97 0.00 1.89 2.02 0.00 3.43 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.64 0.00 52 V 8.63 3.93 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 0.90 0.00 0.00 1.01 0.00 0.00 53 D 7.83 4.73 0.00 2.87 2.82 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 54 W 8.04 4.20 0.00 3.73 3.43 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 55 A 6.15 3.59 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 A 7.62 3.96 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 57 A 8.22 3.99 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 58 S 8.53 4.23 0.00 4.15 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 0.00 59 R 7.73 3.97 0.00 1.95 2.00 0.00 3.09 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.80 0.00 60 H 8.13 4.15 0.00 3.17 3.43 0.00 5.87 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 61 L 8.00 3.91 0.00 2.00 1.80 1.06 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.82 3.91 0.00 2.09 2.03 0.00 1.72 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.46 7.81 63 K 7.74 3.86 0.00 1.78 1.95 0.00 1.78 0.00 0.00 1.38 0.00 0.00 2.63 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.46 7.81 64 V 7.88 4.22 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 1.43 0.00 0.00 0.98 0.00 0.00 65 L 8.24 3.88 0.00 1.98 1.72 0.91 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 66 S 8.06 4.39 0.00 4.13 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 0.00 67 S 8.46 4.54 0.00 4.39 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 68 F 7.65 5.06 0.00 2.79 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 69 K 8.70 4.33 0.00 1.80 1.77 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.82 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.50 1.42 7.81 70 V 8.10 4.72 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 0.49 0.00 0.00 0.95 0.00 0.00 71 L 8.44 4.39 0.00 1.62 1.61 0.95 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 72 E 8.61 4.26 0.00 1.99 1.92 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 2.36 2.37 0.00 73 D 8.39 4.54 0.00 2.70 2.63 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 74 P 0.00 4.52 0.00 1.90 2.01 0.00 3.67 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 1.98 2.15 0.00 75 P 0.00 4.34 0.00 2.03 1.96 0.00 3.41 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.06 0.00 76 L 8.61 4.07 0.00 1.74 1.70 0.69 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 77 D 8.29 4.23 0.00 2.67 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 78 E 8.81 3.71 0.00 1.16 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 2.17 2.26 0.00 79 V 6.42 3.11 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 -0.23 0.00 0.00 0.58 0.00 0.00 80 L 7.82 4.04 0.00 2.21 1.77 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 81 R 8.47 3.84 0.00 1.91 1.94 0.00 3.17 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 82 V 7.84 3.59 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 1.09 0.00 0.00 1.09 0.00 0.00 83 A 8.09 3.95 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 84 V 7.97 3.53 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 1.03 0.00 0.00 1.00 0.00 0.00 85 E 8.18 4.08 0.00 2.09 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 2.35 2.35 0.00 86 R 8.03 4.52 0.00 1.83 1.95 0.00 3.33 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.83 0.00 87 G 7.51 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 88 L 7.60 4.66 0.00 1.66 1.63 0.95 0.87 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 89 T 7.97 4.42 4.34 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 1.29 0.00 0.00 90 F 8.51 3.76 0.00 3.05 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 91 Y 7.63 4.26 0.00 3.16 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 92 D 8.28 4.73 0.00 2.83 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 A 8.19 3.97 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 94 S 7.75 3.81 0.00 3.91 3.70 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 95 Y 8.34 4.15 0.00 3.25 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 96 A 8.01 4.08 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 97 Y 8.30 3.79 0.00 3.04 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 98 V 7.70 3.54 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 0.97 0.00 0.00 0.99 0.00 0.00 99 A 7.79 3.99 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 0.00 100 E 8.02 4.05 0.00 2.03 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 2.28 2.28 0.00 101 S 7.91 3.55 0.00 3.53 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 0.00 102 S 7.83 4.53 0.00 3.92 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 0.00 103 G 8.45 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 0.00 104 L 8.38 4.63 0.00 1.42 1.63 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 105 V 8.13 4.08 1.85 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 1.23 0.00 0.00 0.85 0.00 0.00 106 L 8.57 4.46 0.00 1.81 1.57 0.96 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 107 V 9.07 4.86 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 0.82 0.00 0.00 1.06 0.00 0.00 108 T 8.64 4.90 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 0.00 109 Q 8.30 4.37 0.00 2.02 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.53 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 110 D 8.33 4.70 0.00 2.65 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 0.00 111 R 8.63 3.89 0.00 1.93 1.99 0.00 3.23 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.78 0.00 112 E 8.68 3.97 0.00 1.90 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 0.00 2.34 2.41 0.00 113 L 7.89 4.22 0.00 1.87 1.68 0.94 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 114 L 8.03 3.98 0.00 1.79 1.75 0.92 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 115 A 7.84 4.30 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 0.00 116 K 7.48 4.70 0.00 1.71 1.84 0.00 1.66 0.00 0.00 1.84 0.00 0.00 3.05 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.39 1.60 7.81 117 T 7.24 4.61 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 1.28 0.00 0.00 118 K 8.28 3.83 0.00 1.74 1.80 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.68 7.81 119 G 8.99 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 0.00 120 A 8.15 4.56 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 0.00 121 I 8.72 4.78 1.89 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 1.37 0.81 1.02 0.00 0.00 122 D 8.20 5.27 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 0.00 123 V 8.54 3.51 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 1.04 0.00 0.00 0.96 0.00 0.00 124 E 8.26 3.89 0.00 2.08 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 2.37 2.41 0.00 125 T 8.53 3.85 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 1.21 0.00 0.00 126 L 7.95 3.74 0.00 1.52 1.71 0.16 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 127 L 7.76 4.06 0.00 1.80 1.69 0.88 0.91 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 0.00 128 V 7.89 3.76 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 1.07 0.00 0.00 0.99 0.00 0.00 129 R 7.69 3.87 0.00 1.86 1.97 0.00 3.17 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 1.66 1.90 0.00 130 L 7.81 3.76 0.00 1.60 1.36 0.92 0.53 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 0.00 131 A 7.49 4.10 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 0.00 132 A 7.86 4.06 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 0.00 133 Q 7.31 4.13 0.00 2.06 2.07 0.00 0.00 0.00 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