NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 4.1978 8.1849 122.4759 55.1375 42.9562 175.9041 3 T 4.2029 8.2675 122.9632 61.7945 70.0271 172.7949 4 S 4.6774 9.1651 122.2627 57.2099 64.9246 174.2082 5 C 4.9785 8.3391 121.9695 53.9652 38.8946 172.2936 6 P 4.4611 0.0000 0.0000 61.7904 31.5776 174.2441 7 P 4.5492 0.0000 0.0000 64.3187 31.6301 176.7406 8 L 3.9125 8.7815 119.6500 54.5104 40.0026 174.3988 9 W 4.7416 7.8058 117.4599 55.9624 31.2743 175.3150 10 T 4.7989 8.9259 113.8134 61.0469 70.5819 172.5061 11 G 4.5249 8.7885 113.8121 44.4410 0.0000 172.0661 12 F 4.4607 8.8835 124.7300 57.5862 42.5978 174.4066 13 N 3.6549 8.9805 125.7194 54.2659 35.8951 175.2181 14 G 3.8583 8.0310 104.8523 45.2207 0.0000 173.6258 15 K 4.3991 7.6035 118.8913 54.5242 34.7843 174.1204 16 C 5.3664 8.0004 118.1344 55.2484 37.9677 172.8834 17 F 5.9082 9.7039 122.6870 55.8275 42.1621 174.5230 18 R 4.4312 8.7126 121.6306 54.2363 33.3795 173.5192 19 L 4.5333 8.1123 127.9636 54.3252 42.8291 175.4122 20 F 4.3745 8.8759 125.5834 56.2557 40.6779 176.5760 21 H 4.4886 8.9863 119.0679 56.3387 29.4214 174.9373 22 N 4.8530 8.1679 117.7046 51.6590 38.2294 174.4506 23 H 4.6161 9.1850 120.7502 56.2764 29.2601 174.6958 24 L 5.0989 9.1188 122.7888 52.5113 46.2570 175.9496 25 N 5.7925 8.5620 118.0815 52.1125 38.9464 175.7011 26 F 3.0583 8.9596 120.4822 61.5482 39.2076 176.4506 27 D 4.3540 8.3457 117.4930 58.0549 40.6297 178.9136 28 N 4.2048 8.0966 115.5602 56.0205 38.3833 177.2912 29 A 3.1263 7.7070 122.7083 54.4343 18.3368 179.2272 30 E 3.5899 7.6787 117.9409 59.3065 29.4988 178.3494 31 N 4.1508 7.8315 115.4663 56.8129 39.3480 176.0277 32 A 4.0245 8.0417 122.2092 55.5959 18.2502 179.0518 33 C 4.6643 8.0059 114.7500 60.1038 40.1318 175.9694 34 R 4.0704 7.7833 117.3189 57.8858 29.5965 178.3253 35 Q 3.9485 7.5802 117.9245 57.5465 29.2576 176.5022 36 F 4.5340 7.2439 118.9802 57.6433 40.4135 175.4888 37 G 4.4854 8.2816 107.7262 45.3751 0.0000 170.9334 38 L 4.8823 8.7275 120.5372 53.2820 45.1017 175.7285 39 A 5.3351 8.5655 126.9396 49.7105 22.5798 175.6891 40 S 4.3599 8.7099 113.8618 57.9165 64.0678 175.3923 41 C 4.0830 8.7562 119.7902 63.2253 28.0497 175.4742 42 S 4.1404 7.3220 115.2410 61.5427 62.5162 174.6726 43 G 3.6815 7.6752 108.3436 45.6371 0.0000 174.1461 44 D 4.4066 8.1138 121.6959 53.6704 41.3763 175.2518 45 E 4.2387 8.7886 125.2285 56.6434 30.0531 175.9281 46 L 4.6481 8.4471 125.8283 55.9677 43.9805 175.9966 47 A 4.5000 7.3633 117.8806 51.7299 22.4896 175.0745 48 T 4.9798 8.4291 114.8878 61.6074 72.1667 174.6735 49 G 4.0445 8.7761 111.9138 46.8204 0.0000 171.8794 50 H 5.0951 8.9612 116.0359 53.9005 34.0607 173.2162 51 L 4.6243 8.9886 119.8851 55.1794 42.0758 177.7345 52 A 4.5163 9.0561 124.9063 52.7602 19.3888 177.0197 53 S 3.4782 8.5719 115.1388 55.8449 65.4553 173.7584 54 I 4.3779 5.4200 120.6638 60.1069 40.1271 175.1519 55 H 5.1446 8.3303 120.6811 54.5830 30.0472 173.5943 56 S 4.3299 7.2403 112.6060 56.2122 66.0158 176.1475 57 A 3.9272 8.2116 124.5668 55.6949 18.0065 180.0065 58 E 3.9099 8.0436 116.0488 59.9092 29.6882 179.0730 59 S 3.8790 8.1750 115.0516 61.8266 62.9412 176.3433 60 Q 3.8346 8.0274 121.4527 59.6694 28.6454 179.2974 61 A 3.8412 7.9055 121.5060 54.7341 18.3529 179.4023 62 F 3.7222 7.5586 119.0685 61.3631 39.4582 177.3412 63 L 3.2873 7.5506 118.4808 57.7533 41.1688 179.8028 64 T 3.5853 7.5250 115.5165 66.5897 68.4240 176.1753 65 E 3.7212 7.9202 121.1853 58.9033 29.5262 178.2637 66 L 3.5767 7.5132 120.8247 58.1725 42.0859 179.3537 67 V 3.3857 7.3917 117.5853 65.9278 31.3558 177.8416 68 K 3.7948 7.8899 117.4708 59.8951 31.9959 178.9259 69 T 4.0851 8.1023 108.7494 64.5746 69.0939 176.8607 70 S 4.2515 7.9943 117.1482 60.3064 63.5742 174.4227 71 L 4.9046 7.8387 121.3265 53.3695 42.4443 176.5382 72 P 4.3365 0.0000 0.0000 65.5102 31.8123 177.8237 73 D 4.4274 8.0378 117.0928 55.6654 40.9984 176.5297 74 L 4.4333 7.8222 118.1810 54.5753 42.5042 176.4352 75 I 4.0194 7.1675 120.1746 61.5050 37.2138 176.1096 76 T 4.4465 8.5225 118.2172 60.3032 70.9083 175.8090 77 G 3.9231 8.8644 107.9201 46.4320 0.0000 174.1129 78 G 4.5040 8.3263 108.5978 46.4028 0.0000 175.7740 79 W 4.8612 9.7949 124.4478 57.2134 31.2233 175.1882 80 A 4.5290 8.2983 121.2247 51.7849 19.0878 174.9768 81 P 4.8384 0.0000 0.0000 62.2793 33.5868 174.7072 82 Q 4.8060 8.4670 121.1488 54.4618 30.3020 174.9139 83 V 4.4630 8.3731 124.7562 60.8289 34.1729 174.5680 84 Y 5.1235 9.2268 126.5243 58.5431 39.2583 175.2978 85 I 5.0139 8.6221 115.5423 58.5970 41.7612 175.3038 86 G 4.5398 9.1139 107.4157 47.0435 0.0000 173.0445 87 M 4.1936 8.2253 121.5799 54.6596 33.3842 175.1152 88 K 4.6492 9.0387 125.6531 54.3978 36.0845 175.3083 89 V 4.4176 8.3995 123.8615 60.5146 33.7385 173.8741 90 G 3.9631 8.9239 126.6607 46.6713 0.0000 174.7867 91 S 4.2343 9.0262 118.8079 61.3071 63.5354 174.3669 92 T 3.9818 8.1117 114.6782 62.0483 67.7660 175.2269 93 N 4.3904 8.5689 123.1760 55.0802 38.6171 175.9108 94 S 4.5389 7.4795 111.8409 58.4746 64.0179 174.9143 95 D 4.6942 7.5786 124.1692 53.3568 39.0031 174.0357 96 Q 5.0897 7.8984 118.2420 54.3974 30.8019 175.5760 97 T 4.7271 8.5147 113.5068 59.6983 72.7176 173.0322 98 W 5.4672 8.5743 121.7903 55.6879 31.1711 177.6561 99 T 4.1385 8.6905 112.5759 64.1931 68.6605 175.6374 100 D 3.9666 8.1464 119.7503 53.7948 39.7869 177.1726 101 G 3.9971 8.0075 109.2372 45.2971 0.0000 173.7893 102 S 4.4326 8.6902 114.6865 58.2429 63.6805 173.4408 103 S 4.9822 8.2752 114.9960 56.6598 64.6327 175.6192 104 V 4.4397 8.3925 123.1883 63.1301 28.8674 174.8834 105 D 5.0036 8.5932 118.7983 52.4445 40.1225 176.4389 106 Y 4.7180 8.0564 120.0275 56.2985 41.5756 173.4753 107 D 4.5445 8.0553 126.8567 52.7698 41.9581 175.5071 108 G 3.0534 5.9292 115.2004 44.2608 0.0000 171.5993 109 W 4.6467 7.0510 118.2211 55.9340 29.9393 176.6765 110 V 3.6430 9.1952 123.9246 62.9264 32.4118 174.7241 111 S 4.1390 8.3822 121.1581 60.9298 61.8339 174.1559 112 G 4.1041 9.3995 116.3213 45.1160 0.0000 172.5417 113 E 4.5488 8.0966 119.1773 53.6913 31.4669 174.1112 114 P 4.3270 0.0000 0.0000 62.7485 32.1575 175.8148 115 N 4.4972 8.3727 112.2049 53.6353 40.4780 174.6508 116 N 4.7567 8.8160 116.7932 53.0135 39.1606 174.8541 117 G 3.7567 7.6758 107.9692 43.9052 0.0000 172.1311 118 P 4.9830 0.0000 0.0000 63.0210 31.7663 175.2575 119 N 4.1142 8.3167 114.2227 54.4122 36.5527 174.9327 120 S 4.6191 7.5505 112.8156 57.7762 65.9441 172.5370 121 R 4.9203 8.6998 117.0703 54.7079 34.6902 175.2797 122 G 4.4274 8.7834 108.9208 45.5733 0.0000 172.5585 123 A 5.1570 8.8705 122.0772 49.8291 23.2587 175.8646 124 I 4.2430 8.6380 122.6456 61.6298 38.5605 175.1668 125 A 5.0454 8.8230 129.0625 50.2841 19.8626 176.4687 126 A 4.0944 9.1142 123.0456 53.6542 19.1448 177.9825 127 G 3.9413 8.7497 104.2931 46.5872 0.0000 174.6867 128 D 4.4414 9.0415 120.5397 56.8239 41.3207 178.3686 129 Y 4.1666 8.1771 120.3721 60.4978 38.8113 177.0837 130 S 3.6393 7.8195 112.4248 58.1517 63.6732 174.3772 131 R 3.8642 9.0289 116.7266 57.2240 28.5911 176.1417 132 G 3.9236 7.9362 107.2846 47.5701 0.0000 174.9696 133 F 4.4950 7.5521 117.7352 57.1006 40.5013 174.9096 134 W 5.5113 8.9936 119.9832 56.2896 30.8985 175.7518 135 A 5.6467 9.3245 123.0145 50.4794 22.4165 174.5847 136 D 5.6681 9.2256 120.0189 52.1930 41.7431 176.0248 137 V 4.6611 8.8069 114.0104 60.2007 36.9591 173.5587 138 Y 4.8501 8.9592 118.1475 56.9648 39.3677 177.6151 139 S 4.2484 9.0854 117.5971 61.2324 63.0829 175.5015 140 N 4.7999 8.1770 115.4662 52.9281 38.1534 174.8268 141 N 4.2745 8.3040 117.8313 54.1740 40.0291 173.7524 142 N 4.9838 8.1230 119.2203 51.8079 40.4359 173.7594 143 F 5.0617 9.1155 121.9390 55.0077 44.2260 174.7801 144 K 4.8038 8.6260 119.0297 57.2068 33.3125 175.7458 145 Y 5.4963 8.3102 119.2206 55.7488 42.3854 173.6725 146 I 4.9975 8.5173 120.1243 59.9524 39.8992 174.5813 147 C 5.6348 9.3966 124.6275 55.5125 42.0781 172.6075 148 Q 5.4067 9.2637 119.1033 54.3716 31.1050 175.2412 149 L 4.3357 8.7161 122.2867 53.5956 42.6788 175.1106 150 P 4.1745 0.0000 0.0000 63.6001 31.8548 175.3878 151 C 4.3716 8.5928 124.3962 58.2392 32.3181 172.9824 152 V 4.5602 7.8688 119.1748 60.2918 35.3337 173.6400 153 H 4.7231 8.0081 116.3491 53.9187 31.4430 172.7090 154 Y 4.3749 8.1349 118.8093 58.0905 38.3975 175.5020 155 T 4.4928 8.4986 114.3548 60.4914 69.5050 174.2745 156 L 4.6826 8.2062 127.3083 56.2741 42.4510 176.5873 157 E 4.1175 7.7853 123.8600 55.9451 28.9040 177.2809 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 L 8.18 4.20 0.00 1.56 1.63 0.89 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 3 T 8.27 4.20 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 1.13 0.00 0.00 4 S 9.17 4.68 0.00 3.79 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 5 C 8.34 4.98 0.00 2.94 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 6 P 0.00 4.46 0.00 2.05 1.90 0.00 3.31 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.81 0.00 7 P 0.00 4.55 0.00 2.24 2.10 0.00 3.84 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.03 0.00 8 L 8.78 3.91 0.00 1.88 1.81 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 9 W 7.81 4.74 0.00 3.26 3.22 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 10 T 8.93 4.80 4.35 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 1.52 0.00 0.00 11 G 8.79 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.88 4.46 0.00 1.55 2.49 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 0.00 13 N 8.98 3.65 0.00 2.69 2.66 0.00 0.00 7.20 7.65 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 14 G 8.03 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 15 K 7.60 4.40 0.00 1.51 1.19 0.00 1.65 0.00 0.00 1.79 0.00 0.00 2.99 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.24 1.29 7.81 16 C 8.00 5.37 0.00 2.56 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 17 F 9.70 5.91 0.00 3.24 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 18 R 8.71 4.43 0.00 0.67 0.66 0.00 2.21 0.00 0.00 2.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.69 0.00 19 L 8.11 4.53 0.00 1.48 1.30 0.82 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 20 F 8.88 4.37 0.00 1.51 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 21 H 8.99 4.49 0.00 3.11 3.38 0.00 5.69 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 N 8.17 4.85 0.00 2.95 2.97 0.00 0.00 6.09 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 23 H 9.18 4.62 0.00 3.07 3.39 0.00 5.84 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 24 L 9.12 5.10 0.00 1.51 1.40 0.97 0.18 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 25 N 8.56 5.79 0.00 3.11 3.03 0.00 0.00 6.35 8.12 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 26 F 8.96 3.06 0.00 2.65 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 27 D 8.35 4.35 0.00 2.84 2.71 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 0.00 0.00 0.00 0.00 28 N 8.10 4.20 0.00 2.67 2.78 0.00 0.00 6.86 7.80 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 29 A 7.71 3.13 0.73 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 30 E 7.68 3.59 0.00 1.55 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 2.26 2.30 0.00 31 N 7.83 4.15 0.00 2.84 2.83 0.00 0.00 7.26 7.61 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 32 A 8.04 4.02 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 33 C 8.01 4.66 0.00 3.18 3.31 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 34 R 7.78 4.07 0.00 1.85 1.93 0.00 3.14 0.00 0.00 3.20 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.88 0.00 35 Q 7.58 3.95 0.00 1.56 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.87 0.00 0.00 0.00 0.00 0.00 2.49 2.36 0.00 36 F 7.24 4.53 0.00 3.07 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 37 G 8.28 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 0.00 0.00 0.00 0.00 38 L 8.73 4.88 0.00 1.61 1.43 0.88 1.18 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 39 A 8.57 5.34 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 40 S 8.71 4.36 0.00 4.02 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 41 C 8.76 4.08 0.00 2.98 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 42 S 7.32 4.14 0.00 4.22 3.97 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 43 G 7.68 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 0.00 0.00 0.00 44 D 8.11 4.41 0.00 2.72 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 45 E 8.79 4.24 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 2.29 2.39 0.00 46 L 8.45 4.65 0.00 1.65 1.67 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 47 A 7.36 4.50 1.19 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 0.00 0.00 48 T 8.43 4.98 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 0.98 0.00 0.00 49 G 8.78 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 50 H 8.96 5.10 0.00 3.12 3.34 0.00 5.64 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 L 8.99 4.62 0.00 1.62 1.68 0.22 1.16 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 52 A 9.06 4.52 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 53 S 8.57 3.48 0.00 2.72 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 54 I 5.42 4.38 2.26 0.00 0.00 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 1.25 0.39 0.95 0.00 0.00 55 H 8.33 5.14 0.00 3.10 3.35 0.00 5.93 0.00 0.00 0.00 0.00 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 S 7.24 4.33 0.00 4.08 3.91 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 57 A 8.21 3.93 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 58 E 8.04 3.91 0.00 2.22 2.32 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 2.51 2.55 0.00 59 S 8.18 3.88 0.00 3.99 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 60 Q 8.03 3.83 0.00 2.12 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.59 2.33 0.00 61 A 7.91 3.84 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 62 F 7.56 3.72 0.00 2.02 2.39 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 63 L 7.55 3.29 0.00 1.46 1.39 0.52 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 64 T 7.52 3.59 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 0.98 0.00 0.00 65 E 7.92 3.72 0.00 1.96 1.70 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 2.19 2.20 0.00 66 L 7.51 3.58 0.00 1.13 1.34 0.71 0.71 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 67 V 7.39 3.39 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 0.87 0.00 0.00 0.80 0.00 0.00 68 K 7.89 3.79 0.00 1.73 1.79 0.00 1.62 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.36 7.81 69 T 8.10 4.09 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 1.17 0.00 0.00 70 S 7.99 4.25 0.00 3.99 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 71 L 7.84 4.90 0.00 1.64 1.55 0.85 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 72 P 0.00 4.34 0.00 2.27 2.28 0.00 3.41 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.22 0.00 73 D 8.04 4.43 0.00 2.69 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 74 L 7.82 4.43 0.00 1.73 1.72 0.97 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 75 I 7.17 4.02 1.86 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.70 0.89 0.00 0.00 76 T 8.52 4.45 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 1.34 0.00 0.00 77 G 8.86 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 78 G 8.33 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 79 W 9.79 4.86 0.00 3.35 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 80 A 8.30 4.53 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 81 P 0.00 4.84 0.00 2.11 2.19 0.00 3.67 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 82 Q 8.47 4.81 0.00 0.94 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.73 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 83 V 8.37 4.46 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 1.03 0.00 0.00 0.84 0.00 0.00 84 Y 9.23 5.12 0.00 3.13 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 85 I 8.62 5.01 2.08 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.84 0.87 0.00 0.00 86 G 9.11 4.54 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 0.00 87 M 8.23 4.19 0.00 1.80 0.95 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.07 0.00 88 K 9.04 4.65 0.00 1.61 1.52 0.00 1.84 0.00 0.00 1.62 0.00 0.00 2.76 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.03 1.31 7.81 89 V 8.40 4.42 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 0.82 0.00 0.00 0.98 0.00 0.00 90 G 8.92 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 91 S 9.03 4.23 0.00 3.85 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 92 T 8.11 3.98 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 1.29 0.00 0.00 93 N 8.57 4.39 0.00 2.63 2.68 0.00 0.00 6.91 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 94 S 7.48 4.54 0.00 3.95 3.93 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 95 D 7.58 4.69 0.00 2.59 2.64 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 96 Q 7.90 5.09 0.00 1.94 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 97 T 8.51 4.73 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 1.22 0.00 0.00 98 W 8.57 5.47 0.00 3.55 3.19 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 99 T 8.69 4.14 4.57 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 0.00 0.00 0.00 1.49 0.00 0.00 100 D 8.15 3.97 0.00 2.76 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 0.00 101 G 8.01 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 0.00 0.00 0.00 102 S 8.69 4.43 0.00 3.93 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 0.00 103 S 8.28 4.98 0.00 4.12 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 0.00 104 V 8.39 4.44 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 1.02 0.00 0.00 0.77 0.00 0.00 105 D 8.59 5.00 0.00 2.98 2.89 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 0.00 0.00 0.00 0.00 106 Y 8.06 4.72 0.00 3.15 3.38 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 0.00 107 D 8.06 4.54 0.00 2.59 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 0.00 108 G 5.93 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 0.00 0.00 0.00 109 W 7.05 4.65 0.00 3.17 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 0.00 110 V 9.20 3.64 2.38 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 0.80 0.00 0.00 1.02 0.00 0.00 111 S 8.38 4.14 0.00 3.85 3.80 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 0.00 112 G 9.40 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 0.00 0.00 0.00 0.00 113 E 8.10 4.55 0.00 2.36 2.08 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 2.56 2.87 0.00 114 P 0.00 4.33 0.00 1.77 1.16 0.00 2.96 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 1.42 0.94 0.00 115 N 8.37 4.50 0.00 2.74 2.95 0.00 0.00 6.77 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 0.00 116 N 8.82 4.76 0.00 2.37 2.08 0.00 0.00 6.89 7.22 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 0.00 117 G 7.68 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 0.00 118 P 0.00 4.98 0.00 2.15 2.03 0.00 3.49 0.00 0.00 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 119 N 8.32 4.11 0.00 2.88 2.90 0.00 0.00 6.96 6.91 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 0.00 120 S 7.55 4.62 0.00 3.88 3.89 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 0.00 0.00 0.00 0.00 121 R 8.70 4.92 0.00 1.83 1.28 0.00 2.21 0.00 0.00 2.56 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.96 0.00 122 G 8.78 4.43 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 0.00 123 A 8.87 5.16 1.04 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 0.00 124 I 8.64 4.24 1.83 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 1.43 0.68 0.90 0.00 0.00 125 A 8.82 5.05 1.46 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 0.00 126 A 9.11 4.09 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 0.00 127 G 8.75 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 0.00 128 D 9.04 4.44 0.00 2.68 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 0.00 129 Y 8.18 4.17 0.00 3.06 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 0.00 130 S 7.82 3.64 0.00 3.68 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 0.00 131 R 9.03 3.86 0.00 1.99 2.00 0.00 2.86 0.00 0.00 3.09 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.72 0.00 132 G 7.94 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 0.00 133 F 7.55 4.50 0.00 3.16 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 0.00 134 W 8.99 5.51 0.00 2.85 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 0.00 135 A 9.32 5.65 1.64 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 0.00 136 D 9.23 5.67 0.00 2.79 2.89 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 0.00 0.00 0.00 0.00 137 V 8.81 4.66 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 1.37 0.00 0.00 138 Y 8.96 4.85 0.00 3.02 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 0.00 139 S 9.09 4.25 0.00 4.00 4.14 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 0.00 0.00 0.00 140 N 8.18 4.80 0.00 2.89 3.03 0.00 0.00 6.03 8.04 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 0.00 141 N 8.30 4.27 0.00 3.16 2.33 0.00 0.00 6.74 6.20 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 0.00 142 N 8.12 4.98 0.00 2.44 2.73 0.00 0.00 6.74 7.45 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 0.00 143 F 9.12 5.06 0.00 2.59 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 0.00 144 K 8.63 4.80 0.00 1.70 1.80 0.00 1.57 0.00 0.00 1.72 0.00 0.00 2.94 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.71 1.36 7.81 145 Y 8.31 5.50 0.00 3.14 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 0.00 146 I 8.52 5.00 1.93 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 1.16 0.71 1.05 0.00 0.00 147 C 9.40 5.63 0.00 3.18 3.29 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 0.00 148 Q 9.26 5.41 0.00 1.84 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.94 0.00 0.00 0.00 0.00 0.00 2.52 2.33 0.00 149 L 8.72 4.34 0.00 1.12 1.29 -0.10 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 150 P 0.00 4.17 0.00 1.86 2.00 0.00 3.51 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.19 0.00 151 C 8.59 4.37 0.00 2.86 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 0.00 152 V 7.87 4.56 1.94 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 0.71 0.00 0.00 0.77 0.00 0.00 153 H 8.01 4.72 0.00 3.14 3.11 0.00 5.52 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 Y 8.13 4.37 0.00 3.05 2.83 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 0.00 155 T 8.50 4.49 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 1.19 0.00 0.00 156 L 8.21 4.68 0.00 1.65 1.69 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 157 E 7.79 4.12 0.00 1.96 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 2.33 2.44 0.00