NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 S 4.3214 8.3344 115.2899 58.1918 64.3730 173.5975 -1 N 4.4447 7.7057 118.4771 52.3389 39.9769 172.7158 0 A 4.3967 10.3104 122.6151 53.0764 19.4747 179.5201 0 T 4.4267 10.2204 112.4151 62.3764 70.1747 176.4200 3 Q 4.0718 8.0335 119.8732 59.0123 28.5978 177.8864 4 A 4.0528 8.1357 122.2391 55.5396 17.9003 179.4019 5 F 4.1107 8.5288 114.9922 60.8944 38.7540 177.9288 6 S 4.3694 7.8729 114.0990 61.0197 62.7372 175.1734 7 R 4.5610 8.0421 119.8124 55.8936 30.0962 175.2018 8 V 4.8855 7.5303 117.6334 61.0363 33.7873 174.8666 9 R 4.9623 8.9981 123.2547 54.4274 33.7440 173.9046 10 F 4.9990 8.8797 117.6356 56.1065 42.2234 174.8564 11 I 5.5395 8.9820 126.0319 58.7696 40.9506 174.5938 *13 T 4.3888 8.1764 111.0003 63.3985 69.4796 173.7139 14 Q 4.1671 9.2355 121.9215 54.9181 27.2698 172.6320 15 P 4.4508 0.0000 0.0000 63.1394 31.9243 176.5186 16 S 4.3708 8.3236 111.1137 57.0288 64.6621 173.8454 17 H 4.8613 7.8510 119.1055 53.4986 30.6051 172.2281 18 P 4.4299 0.0000 0.0000 65.4409 31.1156 178.6730 19 G 3.7214 8.2032 104.0630 48.1158 0.0000 174.8666 20 N 4.2826 8.3330 119.1442 56.0857 38.5448 177.4372 21 V 3.6852 7.7858 118.9028 65.7974 31.7016 178.0595 22 G 3.7124 8.2065 105.5131 48.2114 0.0000 175.7728 23 S 4.1265 8.2627 117.9715 61.0138 62.8434 176.5690 24 A 3.9766 8.3816 123.6115 55.1685 17.9391 179.5893 25 A 3.9291 7.9408 119.2247 55.2198 18.4024 179.9389 26 R 3.8125 7.9986 116.8772 59.4045 29.9745 178.0952 27 A 3.9892 8.1029 120.0713 55.6632 18.6681 179.5287 28 I 3.7548 7.7029 110.8769 63.7741 37.3798 178.3028 29 K 4.5289 7.9341 122.7170 58.5767 32.1824 179.8206 30 T 4.1882 7.9618 110.6943 61.3495 68.7424 175.2162 *32 G 3.4721 7.9573 108.4365 45.8834 0.0000 173.2661 33 F 5.0937 8.6922 119.4385 56.0041 40.7674 176.5313 34 G 4.1496 8.8801 109.2759 45.0392 0.0000 172.6242 35 E 4.5795 8.3239 120.3152 54.8531 30.7222 174.0643 36 L 5.1754 8.3891 126.9610 53.2508 44.9427 175.0204 37 V 4.7162 8.9221 125.4246 61.1630 34.8416 173.8492 38 L 4.9301 8.8761 127.9183 53.2127 44.0484 175.4638 39 V 4.6754 8.2311 122.6493 61.1167 34.4098 175.2982 40 A 3.8707 9.1829 132.3374 52.5530 16.4068 175.2803 41 P 4.7026 0.0000 0.0000 62.9584 32.5886 176.5094 42 R 3.7442 8.3286 121.0361 58.8011 29.9383 176.7968 43 F 5.3412 7.3244 112.9940 54.8176 42.5334 173.4204 44 P 4.4181 0.0000 0.0000 64.9565 31.6100 176.8277 45 D 4.8236 7.9678 118.4365 52.6513 42.7598 176.7370 *47 T 4.2995 8.4718 113.2843 61.0932 70.4690 173.9836 48 A 4.7065 7.9072 123.4392 51.7026 19.9809 176.8898 49 Q 4.2497 7.8538 117.0071 55.5128 30.7806 175.0595 50 P 4.2614 0.0000 0.0000 66.2141 31.2573 178.9784 51 E 3.9509 8.1898 114.8342 58.9398 29.6175 178.9938 52 A 4.2684 7.8579 120.5278 55.1633 18.7683 179.7152 53 V 3.6090 7.7040 114.7443 65.6865 31.5635 177.5328 54 A 4.2460 8.0982 119.8997 54.0205 18.6109 178.4203 55 L 4.3666 7.5987 114.7388 54.5178 43.2464 177.0705 56 A 4.5521 7.5312 124.3508 50.3941 18.3667 177.7130 57 S 4.0915 8.0125 115.8601 59.6378 62.7578 173.4492 58 G 4.0422 8.9845 114.9332 46.3952 0.0000 172.5075 59 A 4.8212 8.3527 121.0697 50.9728 19.7178 179.6168 60 L 4.0754 8.1068 123.1699 58.6204 42.0435 178.6326 61 D 4.2779 7.9819 118.7686 56.6506 39.3115 178.5179 62 V 3.6089 7.7824 118.6037 65.3209 31.3788 177.1665 63 L 4.1152 7.7073 120.0530 58.3459 41.7499 178.8695 64 E 4.0837 8.0626 117.2392 58.7221 29.5166 178.4240 65 R 4.3768 7.6838 115.3074 55.0620 30.6799 176.3307 66 A 4.5346 7.4478 121.6115 51.6443 18.9237 177.5022 67 A 4.3861 8.6595 124.2921 51.1795 20.7041 176.0957 68 V 4.7409 8.1995 120.3538 61.4317 33.9488 174.4836 69 H 5.1521 9.0646 124.0107 54.0935 32.4112 174.5693 70 D 4.6571 8.9494 120.2743 56.6081 40.8870 177.4497 71 T 4.7370 7.4328 108.3404 59.0394 73.2243 174.4697 72 L 4.0682 8.4047 123.3585 57.8848 42.0025 179.0900 73 E 3.9113 8.0594 117.8082 59.2902 29.8058 178.1450 74 E 3.9775 7.9927 118.5470 59.4138 29.4224 178.8610 75 A 4.0137 7.3138 118.5434 54.8034 18.8156 178.7881 76 L 4.2115 8.3063 115.6090 55.0267 41.6994 178.6465 77 A 3.9396 7.4654 122.7794 54.9590 18.2833 176.9920 78 P 4.5822 0.0000 0.0000 62.5474 31.6153 175.7971 79 V 4.1688 7.5573 119.8077 61.8172 32.2975 175.5822 80 T 4.3578 8.4052 116.6025 62.3354 70.5489 174.4067 81 L 4.4200 8.2815 124.1667 53.2923 45.3431 174.7324 82 A 5.0208 8.3820 127.9856 50.0333 22.2354 174.1194 83 F 5.3348 9.2452 121.6718 55.5381 41.8071 174.9891 84 A 4.5625 9.1079 126.7662 51.5409 19.3882 176.0985 85 L 4.9163 9.0055 126.6730 54.5676 42.2051 175.6313 86 T 4.4420 8.7420 122.5232 61.4523 68.5528 175.4135 87 T 4.1343 8.7414 125.7879 65.6486 69.3462 175.3657 88 R 4.3594 7.6871 116.5123 54.4772 30.7431 176.2691 89 V 3.6537 8.4304 121.6120 63.3418 31.9392 174.9748 90 R 4.7024 8.0801 121.2719 53.7738 32.3260 174.6364 91 D 4.4749 8.4516 117.8660 54.4985 41.8624 174.9395 92 L 3.6498 8.3344 119.2279 55.6114 39.5232 175.0533 93 G 3.9608 7.8389 108.1576 44.0171 0.0000 170.7980 94 P 4.7177 0.0000 0.0000 60.1318 33.7064 172.9832 95 P 4.3779 0.0000 0.0000 62.4836 31.7877 175.2737 96 P 4.3692 0.0000 0.0000 65.2280 31.6658 176.0669 97 C 5.0800 7.7880 111.5602 55.7558 32.6945 172.8510 98 D 5.4131 8.3245 122.1100 51.2143 42.4072 177.2747 99 I 3.4787 8.0405 118.4569 63.8541 37.5792 177.6813 100 R 4.0039 7.9836 119.3522 59.3416 30.0338 177.9905 101 E 3.9217 8.6196 118.2917 59.1953 29.3454 179.1011 102 A 3.5300 8.1113 120.8608 55.0669 18.4799 179.3381 103 A 3.8714 7.7975 119.2711 55.3997 18.3295 180.1861 104 G 3.5138 7.7532 104.0472 47.8374 0.0000 175.8662 105 L 4.0524 8.2044 121.4936 57.5787 41.6747 179.5035 106 A 4.0845 8.2608 120.9251 55.2086 18.3264 179.7209 107 R 3.8071 7.8897 116.8429 59.4791 30.0872 178.9646 108 R 3.8871 7.9844 117.9000 59.4851 30.1171 178.3621 109 H 4.0600 8.2887 117.9183 59.5333 29.6468 177.3291 110 L 4.0323 7.8710 119.1413 57.6105 41.4362 179.0039 111 D 4.4718 8.0016 118.4215 57.3381 40.8436 178.3000 112 D 4.4353 8.1882 118.6939 56.3164 41.7116 176.8787 113 T 4.3209 7.4058 110.0819 60.3161 69.9893 175.7146 114 E 3.9710 8.9116 125.0007 58.6910 29.6914 177.5364 115 A 4.6704 7.7773 117.8823 51.2132 19.8985 175.8697 116 G 4.1927 7.2685 104.8776 46.0706 0.0000 173.5944 117 V 4.5761 9.1032 120.8849 60.8939 34.9364 174.2569 118 V 4.7059 8.6975 127.8413 61.4933 33.4747 174.3317 119 A 5.1248 9.3193 129.2567 50.1110 22.6595 174.6880 120 I 4.8142 8.1666 121.4782 59.4733 40.0480 174.7829 121 V 4.8758 9.2075 127.5622 61.0769 33.6872 174.2679 122 L 5.0590 9.0854 127.9092 52.1487 44.6807 176.8325 123 G 4.7215 8.8037 118.4847 45.7134 0.0000 174.1402 124 T 4.6916 8.1277 114.5788 59.0653 71.5218 174.6508 125 E 3.8476 8.6586 122.1746 58.3308 29.4282 177.3622 126 R 3.8677 7.6748 117.6042 59.3747 30.2769 176.4571 127 A 4.6384 8.0010 118.1262 51.0634 23.1418 174.9926 128 G 3.9030 6.9458 100.5869 44.5743 0.0000 173.5966 129 L 4.4753 8.3191 122.6933 53.9960 43.4001 176.7433 130 T 4.3827 8.0373 110.9343 60.8929 71.5179 175.5095 131 N 4.1676 8.8274 120.2247 56.9878 38.3654 177.3594 132 A 4.1571 7.8720 120.2046 55.1803 18.7349 179.3616 133 Q 4.0453 7.9682 116.4829 59.3004 28.5649 178.7892 134 I 3.7335 8.3484 120.9407 64.2879 36.8271 177.8632 135 E 4.1572 7.7293 117.6651 58.2490 29.6717 178.3319 136 L 4.0298 7.5773 117.8185 56.1056 41.9772 176.9873 137 C 4.4061 6.7519 116.0578 58.7064 29.4280 173.6005 138 H 4.4689 8.2643 120.0141 58.5272 29.1269 176.1209 139 R 4.6927 8.0069 115.9637 54.4153 34.6378 174.3316 140 I 4.8379 8.4203 123.1218 60.3523 39.8559 174.0327 141 C 5.4860 9.4734 123.1035 57.2298 33.5726 172.3285 142 H 5.3849 9.1126 114.7634 54.1462 32.3610 172.1169 143 I 4.3897 7.6188 121.3981 59.1638 37.9559 175.1190 144 P 4.3247 0.0000 0.0000 62.4110 29.4113 175.9319 145 A 4.2564 7.9025 129.8905 51.0422 20.0557 176.4118 146 N 4.3492 8.5551 117.5475 53.3540 38.7323 173.7875 147 P 4.2278 0.0000 0.0000 65.3907 31.4889 177.1577 148 Q 4.2746 8.8598 116.8485 57.0583 29.4829 175.7493 149 Y 4.9174 8.3364 119.3363 56.6719 39.3384 174.6990 150 S 4.3861 8.0023 115.0512 60.0514 64.4169 175.1668 151 S 4.5034 8.1815 117.7957 57.5994 62.8565 173.1736 152 L 4.6068 8.2491 126.0354 52.7042 43.2532 177.0403 153 N 4.4891 8.4992 120.7933 53.1649 39.1794 176.6946 154 V 3.5965 8.4574 115.7913 64.3730 31.5974 178.4913 155 A 3.9572 8.0678 120.2325 55.4402 18.1095 179.3732 156 Q 3.8430 7.9440 117.0713 59.1140 29.1602 177.7297 157 A 4.0007 8.1690 121.9838 55.2637 18.3608 179.6590 158 L 3.9146 8.5029 117.4820 58.0605 41.7719 179.3759 159 Q 4.0114 8.2575 118.3750 59.3870 28.6855 179.7975 160 L 4.1662 8.2337 119.3642 57.7288 41.6757 179.3661 161 A 4.0188 8.4010 120.8076 55.2814 18.3774 179.6158 162 A 4.2060 8.8663 119.6242 54.7754 18.4459 179.7535 163 W 4.3322 8.4930 127.1047 60.9286 30.8932 178.1357 164 E 3.4942 8.4109 118.5696 59.0381 28.7914 179.5048 165 L 3.8922 8.1204 119.0795 57.7911 41.6537 179.1125 166 R 4.0390 8.8064 119.0651 60.0597 29.7311 177.8440 167 Y 3.7257 7.4084 117.3864 60.4055 38.7794 177.2921 168 A 4.0318 7.8440 120.5673 54.2011 18.5400 178.6251 169 L 4.2042 7.3709 115.6899 55.3355 42.2192 176.7116 170 L 4.2408 7.3567 123.7904 54.9324 41.6046 176.5991 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 S 8.33 4.32 0.00 3.85 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 -1 N 7.71 4.44 0.00 2.84 2.71 0.00 0.00 7.13 6.78 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 A 10.31 4.40 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 0 T 10.22 4.43 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 1.21 0.00 0.00 3 Q 8.03 4.07 0.00 2.31 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.72 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 4 A 8.14 4.05 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 5 F 8.53 4.11 0.00 3.13 3.17 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 0.00 6 S 7.87 4.37 0.00 3.97 4.01 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 7 R 8.04 4.56 0.00 1.89 2.06 0.00 3.08 0.00 0.00 3.31 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.71 0.00 8 V 7.53 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 -0.01 0.00 0.00 0.89 0.00 0.00 9 R 9.00 4.96 0.00 1.94 1.99 0.00 2.76 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.52 0.00 10 F 8.88 5.00 0.00 2.99 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 11 I 8.98 5.54 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 0.94 1.66 0.93 0.00 0.00 *13 T 8.18 4.39 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 1.28 0.00 0.00 14 Q 9.24 4.17 0.00 2.10 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.93 0.00 0.00 0.00 0.00 0.00 2.27 2.37 0.00 15 P 0.00 4.45 0.00 2.21 2.18 0.00 3.72 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.96 0.00 16 S 8.32 4.37 0.00 3.70 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 17 H 7.85 4.86 0.00 3.18 3.25 0.00 5.64 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 P 0.00 4.43 0.00 2.20 2.17 0.00 3.83 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.28 0.00 19 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 20 N 8.33 4.28 0.00 2.98 2.94 0.00 0.00 6.64 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 21 V 7.79 3.69 2.26 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 1.03 0.00 0.00 1.01 0.00 0.00 22 G 8.21 3.71 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 0.00 0.00 0.00 23 S 8.26 4.13 0.00 4.01 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 24 A 8.38 3.98 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 25 A 7.94 3.93 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 26 R 8.00 3.81 0.00 1.93 2.06 0.00 3.12 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.93 0.00 27 A 8.10 3.99 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 28 I 7.70 3.75 1.64 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 1.61 0.90 -0.06 0.00 0.00 29 K 7.93 4.53 0.00 1.88 2.00 0.00 1.66 0.00 0.00 1.69 0.00 0.00 3.06 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.32 7.81 30 T 7.96 4.19 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 1.28 0.00 0.00 *32 G 7.96 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 0.00 0.00 0.00 33 F 8.69 5.09 0.00 3.23 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 34 G 8.88 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 0.00 0.00 0.00 35 E 8.32 4.58 0.00 2.06 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 2.38 2.36 0.00 36 L 8.39 5.18 0.00 1.83 1.56 1.03 0.80 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 37 V 8.92 4.72 2.13 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 0.97 0.00 0.00 0.98 0.00 0.00 38 L 8.88 4.93 0.00 1.62 1.56 0.94 0.93 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 39 V 8.23 4.68 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 1.00 0.00 0.00 0.97 0.00 0.00 40 A 9.18 3.87 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 41 P 0.00 4.70 0.00 2.31 2.06 0.00 3.79 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 42 R 8.33 3.74 0.00 1.41 1.25 0.00 2.80 0.00 0.00 2.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.17 0.00 43 F 7.32 5.34 0.00 3.09 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 44 P 0.00 4.42 0.00 2.08 2.15 0.00 3.75 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.18 0.00 45 D 7.97 4.82 0.00 2.72 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 *47 T 8.47 4.30 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 1.23 0.00 0.00 48 A 7.91 4.71 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 49 Q 7.85 4.25 0.00 2.11 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.32 6.78 0.00 0.00 0.00 0.00 0.00 2.49 2.45 0.00 50 P 0.00 4.26 0.00 2.16 2.12 0.00 3.61 0.00 0.00 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0.00 0.00 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 L 8.31 4.21 0.00 1.63 1.64 0.89 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 77 A 7.47 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 78 P 0.00 4.58 0.00 2.05 2.08 0.00 3.79 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 79 V 7.56 4.17 2.17 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 0.83 0.00 0.00 0.96 0.00 0.00 80 T 8.41 4.36 4.27 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 1.22 0.00 0.00 81 L 8.28 4.42 0.00 1.25 1.20 0.49 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 82 A 8.38 5.02 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 83 F 9.25 5.33 0.00 2.85 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 84 A 9.11 4.56 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 85 L 9.01 4.92 0.00 1.64 1.73 1.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 86 T 8.74 4.44 4.27 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 1.33 0.00 0.00 87 T 8.74 4.13 4.27 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 1.31 0.00 0.00 88 R 7.69 4.36 0.00 1.94 1.95 0.00 3.07 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.62 0.00 89 V 8.43 3.65 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 0.86 0.00 0.00 0.96 0.00 0.00 90 R 8.08 4.70 0.00 1.91 1.86 0.00 3.09 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.55 0.00 91 D 8.45 4.47 0.00 2.66 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 92 L 8.33 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3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.76 0.00 101 E 8.62 3.92 0.00 2.14 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 2.33 2.48 0.00 102 A 8.11 3.53 0.60 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 0.00 103 A 7.80 3.87 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 0.00 104 G 7.75 3.51 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 0.00 0.00 0.00 0.00 0.00 0.00 105 L 8.20 4.05 0.00 2.07 1.98 1.11 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 106 A 8.26 4.08 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 0.00 107 R 7.89 3.81 0.00 1.92 2.04 0.00 3.10 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.68 0.00 108 R 7.98 3.89 0.00 2.07 2.09 0.00 3.29 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 109 H 8.29 4.06 0.00 3.36 3.48 0.00 5.78 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 L 7.87 4.03 0.00 1.65 1.70 0.90 1.02 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 0.00 111 D 8.00 4.47 0.00 2.85 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 0.00 112 D 8.19 4.44 0.00 2.56 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 0.00 113 T 7.41 4.32 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 1.04 0.00 0.00 114 E 8.91 3.97 0.00 1.96 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 2.31 2.30 0.00 115 A 7.78 4.67 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 0.00 116 G 7.27 4.19 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 0.00 117 V 9.10 4.58 2.25 0.00 0.00 0.00 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 0.99 0.00 0.00 118 V 8.70 4.71 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 0.87 0.00 0.00 0.94 0.00 0.00 119 A 9.32 5.12 1.11 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 0.00 0.00 120 I 8.17 4.81 1.62 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.52 0.98 0.00 0.00 121 V 9.21 4.88 2.19 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 0.90 0.00 0.00 0.91 0.00 0.00 122 L 9.09 5.06 0.00 1.54 1.55 0.97 0.97 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 0.00 123 G 8.80 4.72 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 0.00 124 T 8.13 4.69 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 1.30 0.00 0.00 125 E 8.66 3.85 0.00 1.96 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 2.32 2.39 0.00 126 R 7.67 3.87 0.00 1.78 1.89 0.00 3.30 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 127 A 8.00 4.64 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 0.00 0.00 0.00 0.00 0.00 128 G 6.95 3.90 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 0.00 129 L 8.32 4.48 0.00 1.65 1.60 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 130 T 8.04 4.38 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 1.21 0.00 0.00 131 N 8.83 4.17 0.00 2.82 2.94 0.00 0.00 6.85 8.13 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 0.00 132 A 7.87 4.16 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 0.00 133 Q 7.97 4.05 0.00 2.34 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.68 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 134 I 8.35 3.73 1.99 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 1.53 1.08 0.91 0.00 0.00 135 E 7.73 4.16 0.00 1.95 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 2.30 2.38 0.00 136 L 7.58 4.03 0.00 1.64 1.68 0.90 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 137 C 6.75 4.41 0.00 3.07 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 0.00 138 H 8.26 4.47 0.00 2.77 3.19 0.00 5.68 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 0.00 139 R 8.01 4.69 0.00 1.39 1.90 0.00 3.28 0.00 0.00 3.10 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.70 0.00 140 I 8.42 4.84 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.31 0.94 0.00 0.00 141 C 9.47 5.49 0.00 3.08 3.10 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 0.00 142 H 9.11 5.38 0.00 3.36 3.38 0.00 5.27 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 I 7.62 4.39 1.86 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 1.27 0.60 0.89 0.00 0.00 144 P 0.00 4.32 0.00 2.16 2.07 0.00 3.66 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 1.94 1.90 0.00 145 A 7.90 4.26 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 0.00 146 N 8.56 4.35 0.00 2.75 2.79 0.00 0.00 6.63 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 0.00 147 P 0.00 4.23 0.00 2.24 2.20 0.00 3.84 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 148 Q 8.86 4.27 0.00 2.22 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.29 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 149 Y 8.34 4.92 0.00 2.83 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 0.00 150 S 8.00 4.39 0.00 4.07 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 0.00 151 S 8.18 4.50 0.00 4.00 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 0.00 152 L 8.25 4.61 0.00 1.63 1.57 0.91 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 153 N 8.50 4.49 0.00 2.91 2.96 0.00 0.00 6.26 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 0.00 154 V 8.46 3.60 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 0.81 0.00 0.00 0.95 0.00 0.00 155 A 8.07 3.96 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 0.00 156 Q 7.94 3.84 0.00 2.09 2.45 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 2.40 2.39 0.00 157 A 8.17 4.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 L 8.50 3.91 0.00 1.86 1.59 0.87 1.02 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 0.00 159 Q 8.26 4.01 0.00 2.29 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.66 0.00 160 L 8.23 4.17 0.00 1.74 1.80 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 161 A 8.40 4.02 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 0.00 0.00 0.00 0.00 0.00 162 A 8.87 4.21 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 0.00 163 W 8.49 4.33 0.00 3.55 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 0.00 164 E 8.41 3.49 0.00 2.12 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 2.56 2.53 0.00 165 L 8.12 3.89 0.00 1.89 1.76 0.75 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 166 R 8.81 4.04 0.00 2.14 2.30 0.00 3.18 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.94 0.00 167 Y 7.41 3.73 0.00 1.72 2.40 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 0.00 168 A 7.84 4.03 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 0.00 169 L 7.37 4.20 0.00 1.33 1.22 0.54 0.92 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 0.00 170 L 7.36 4.24 0.00 1.40 1.51 0.97 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.