NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3068 8.1227 122.4245 50.3317 20.6758 175.0323 3 R 4.7010 8.7720 111.7337 53.7187 33.2394 172.4533 4 Y 5.1542 9.5935 124.4552 56.1923 41.7354 174.2800 5 L 4.4269 8.9411 126.6275 54.0464 43.2464 175.5532 6 V 4.6054 8.8984 128.9035 61.6519 32.9959 174.9007 7 V 4.8125 8.8644 129.8956 62.0116 32.2246 174.3655 8 A 4.5725 8.4783 127.3614 52.4058 22.7497 174.2077 9 H 4.9656 8.7808 116.7118 57.5372 32.9589 175.4978 10 R 3.8271 7.8058 123.1766 58.8157 30.8174 177.7308 11 T 4.3090 7.6306 106.5559 61.2141 69.0705 176.2953 12 A 3.9279 7.8270 129.2619 55.8615 18.3827 179.8190 13 K 4.3935 7.8414 114.6743 54.5470 32.4446 180.3872 14 S 4.4726 7.7559 116.0460 58.3379 64.8042 173.5060 15 P 4.4721 0.0000 0.0000 65.1158 31.1386 178.8000 16 E 3.9180 8.0312 117.0934 59.0327 29.4383 178.8891 17 L 3.8178 7.6476 120.2861 58.0757 42.1939 178.6314 18 A 3.8662 7.7210 119.9813 55.2421 18.1811 179.3933 19 A 3.8838 8.2010 119.3300 55.2018 18.3762 179.7742 20 K 3.9766 7.9925 118.0438 59.7391 32.2442 179.0837 21 L 3.6527 7.8533 119.2061 57.5123 41.3774 179.6675 22 K 4.0361 8.4502 119.0521 59.2454 32.0054 179.2809 23 E 3.9685 8.4070 119.3773 59.5073 29.5448 179.4293 24 L 4.0668 8.1962 119.1756 57.6526 41.7006 179.6313 25 L 4.2662 8.3767 119.0833 57.7391 41.3446 179.3058 26 A 4.1474 7.8733 120.1821 54.9328 18.4003 179.1411 27 Q 4.4639 7.9544 114.5668 57.3534 29.8881 175.9520 28 D 4.5504 7.9263 120.1347 52.0868 42.0606 173.4041 29 P 4.4616 0.0000 0.0000 64.1548 31.5670 177.3810 30 E 4.2476 8.1099 115.4551 56.2789 29.7921 176.4519 31 A 4.3122 7.8352 122.0161 52.2924 19.1969 177.3637 32 R 4.3606 8.7233 120.3703 54.1322 33.8728 174.7713 33 F 5.6029 8.5475 121.0063 55.8062 42.3081 174.0972 34 V 4.7374 9.0179 124.4127 61.0296 33.8340 174.1309 35 L 4.8200 8.9667 131.4373 54.3429 43.2830 174.9366 36 L 4.8999 9.0268 130.2061 53.6310 43.9454 175.2862 37 V 4.6523 8.8004 127.9694 59.7848 33.0114 173.1532 38 P 5.0656 0.0000 0.0000 62.4145 30.9092 176.3749 39 A 4.6074 8.4629 123.2186 51.4794 22.8152 175.7092 40 V 4.0793 8.4762 117.7785 60.8945 32.1136 173.9099 41 P 4.9479 0.0000 0.0000 61.5032 32.4419 174.3179 42 P 4.4994 0.0000 0.0000 61.4577 32.1386 174.2788 43 P 4.3038 0.0000 0.0000 62.9624 31.7973 176.4942 44 G 4.1407 8.0172 109.4775 44.0941 0.0000 171.6879 45 W 4.4370 8.7552 117.3415 58.2336 29.7195 177.3194 46 V 3.9117 7.8672 115.8920 64.0367 32.0130 175.0161 47 Y 4.7219 7.4140 114.9098 56.2741 40.8030 175.4534 *50 N 4.7976 8.4883 117.6126 53.5707 40.7999 176.9615 51 E 3.9206 8.1278 117.8571 59.1743 29.7945 178.7767 52 V 3.5557 7.7546 117.8698 65.9802 31.6767 177.8136 53 R 3.8743 7.9164 117.9484 59.4007 30.0371 178.1843 54 R 4.0403 8.1974 118.6455 59.5912 30.0520 178.7152 55 R 4.1715 8.4774 118.9970 58.5753 30.0296 178.8882 56 A 3.9608 8.0502 120.5300 55.2741 18.4477 179.3335 57 E 3.9161 8.7171 117.3909 59.7967 29.3510 179.5717 58 E 3.9965 8.2590 118.3676 59.5118 29.4815 179.3001 59 E 4.0859 8.3060 118.4051 59.2802 29.4070 179.3048 60 A 3.9775 8.2434 120.7105 55.0849 18.4622 179.5909 61 A 3.9190 8.1959 119.1314 55.1864 18.4505 179.7013 62 A 3.9437 8.1558 119.1479 55.1591 18.4537 179.7370 63 A 3.9238 8.2457 119.3817 55.1151 18.4204 179.6255 64 K 3.8604 8.2886 118.3699 59.9523 32.2863 179.1734 65 R 4.0352 8.1846 117.9563 59.1938 29.7056 178.9630 66 A 4.0003 7.7909 119.8618 55.0366 18.6757 179.1634 67 L 4.1482 8.0683 118.9180 58.2249 42.1704 178.9958 68 E 4.5564 8.7738 120.0095 58.7981 29.2247 178.8271 69 A 4.1894 7.9508 119.0012 53.9261 18.3760 178.3990 70 Q 4.3940 7.8445 115.7417 55.3808 28.8022 176.8993 71 G 3.9218 8.0815 108.3977 45.4756 0.0000 173.1519 72 I 4.3992 7.4513 120.7846 58.3977 38.5994 173.3370 73 P 4.6188 0.0000 0.0000 62.4529 31.9092 175.7923 74 V 4.5529 8.1791 121.5222 60.7824 33.3601 174.4150 75 E 4.1785 9.1999 129.8670 59.3012 30.1024 176.6090 76 E 4.8789 7.8129 115.9626 55.2815 33.0011 174.1071 77 A 5.3124 8.7850 126.6354 50.1071 21.8595 175.6964 78 K 4.7018 9.3105 120.5764 54.4292 36.1139 175.1691 79 A 4.8350 8.7036 125.8888 51.1776 20.2516 176.5224 80 G 4.2134 8.8348 109.3806 43.6372 0.0000 171.0157 81 D 4.8689 8.7074 117.9728 54.9103 41.3695 177.8048 82 I 3.7282 8.5039 125.2360 63.5058 38.8921 175.8675 83 S 4.3083 8.7453 118.5799 56.7783 62.6041 172.7058 84 P 3.8819 0.0000 0.0000 65.8204 30.6358 178.4857 85 L 4.0592 7.5674 118.1554 57.6745 41.6599 179.2701 86 L 4.0089 8.0441 118.7423 57.5444 41.4845 179.3632 87 A 3.9161 8.2563 121.2245 55.0906 18.2107 179.7800 88 I 3.3341 7.5726 118.1359 64.3516 37.2037 177.9422 89 E 3.3853 7.5247 120.0353 59.6084 29.5058 178.9708 90 E 3.9852 8.1677 118.1449 59.0667 29.5053 178.9596 91 E 3.9790 8.2488 119.7062 59.2036 29.4887 178.8511 92 L 4.0833 7.9066 118.5581 57.6232 41.6950 178.9120 93 L 4.0485 7.7749 119.4348 58.0069 42.1057 178.5705 94 A 4.1361 7.6209 119.3231 54.0061 20.0779 177.5463 95 H 4.8676 8.0289 114.2196 53.6831 29.8415 171.1066 96 P 4.5237 0.0000 0.0000 63.9312 32.1411 177.9915 97 G 3.8875 8.9178 110.2771 45.3019 0.0000 174.1841 98 A 3.7833 7.4746 121.7745 54.1103 18.4660 177.4962 99 Y 4.9373 7.4274 112.1218 56.5566 40.2203 175.5251 100 Q 4.3978 8.6301 122.6418 56.5302 29.8850 175.6943 101 G 4.3029 7.6108 104.4633 45.4375 0.0000 172.0554 102 I 4.9839 8.8056 122.2990 59.3023 40.1400 175.0278 103 V 4.7025 9.0635 127.6321 61.3025 33.2275 174.1380 104 L 4.8396 9.0784 132.4025 53.9108 43.3613 174.9734 105 S 5.3288 9.1428 122.9146 56.9809 63.6226 173.2513 106 T 4.6740 8.8928 117.5890 59.4184 71.9967 173.7043 107 L 4.4293 8.0615 122.3247 53.8102 42.8255 175.3068 108 P 4.3815 0.0000 0.0000 61.5918 31.9454 174.6534 109 P 4.3392 0.0000 0.0000 64.6425 31.6314 176.6192 110 G 4.0827 9.4081 110.4406 45.1067 0.0000 173.9417 111 L 4.5124 7.7356 118.1497 55.1283 44.2444 176.5447 112 S 4.1792 7.8736 114.0887 57.7118 63.1169 174.6244 113 R 3.9860 8.5995 127.3310 59.2867 29.9026 179.0007 114 W 4.4725 8.0347 118.2914 59.8407 29.0754 178.4503 115 L 4.0264 8.3702 119.1877 57.8741 40.8391 179.7312 116 R 4.0234 7.7373 117.1414 58.6977 30.0614 178.0912 117 L 4.3894 7.6859 116.1017 53.9184 42.1322 176.1631 118 D 4.5849 8.2809 118.1439 55.4869 40.2895 175.8860 119 V 3.5944 8.1677 120.0788 65.7174 31.1267 177.1363 120 H 4.1846 8.4670 114.1421 58.2798 28.7442 176.7279 121 T 4.2031 7.4027 111.1917 63.6348 69.5986 176.8853 122 Q 3.9090 8.2592 120.6167 58.3313 28.4576 178.3000 123 A 4.1769 8.1895 121.8076 54.7346 18.2078 179.2306 124 E 3.8883 8.0479 116.8962 58.7687 29.2722 179.1109 125 R 3.8794 7.3293 115.3303 58.4933 29.4552 178.4264 126 F 4.5532 7.0271 118.0035 58.8665 39.0143 176.2349 127 G 4.1080 7.8995 105.3182 45.0254 0.0000 173.1980 128 L 4.7287 7.4979 118.6465 52.0380 43.8108 174.4755 129 P 4.4335 0.0000 0.0000 63.0720 32.5584 175.2597 130 V 4.7889 8.4489 123.4156 61.2795 33.7597 174.4608 131 I 4.4067 9.1368 129.6702 60.1891 38.8651 174.0490 132 H 5.3604 8.8831 127.6596 54.7000 31.2191 173.9344 133 V 4.3495 8.9122 126.1660 61.1235 34.0490 174.0129 134 I 4.7721 8.2710 128.1598 59.8234 38.6551 175.5285 135 A 4.4299 8.8328 128.3142 52.0732 18.7581 175.6283 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 4.31 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 3 R 8.77 4.70 0.00 1.75 1.92 0.00 2.95 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 4 Y 9.59 5.15 0.00 3.27 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 5 L 8.94 4.43 0.00 0.78 1.29 0.27 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 6 V 8.90 4.61 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 0.88 0.00 0.00 1.01 0.00 0.00 7 V 8.86 4.81 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 0.73 0.00 0.00 0.83 0.00 0.00 8 A 8.48 4.57 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 9 H 8.78 4.97 0.00 3.26 3.08 0.00 5.70 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 R 7.81 3.83 0.00 1.60 1.82 0.00 3.11 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.38 0.00 11 T 7.63 4.31 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 1.09 0.00 0.00 12 A 7.83 3.93 1.41 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 0.00 0.00 13 K 7.84 4.39 0.00 1.78 1.70 0.00 1.81 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.31 0.98 7.81 14 S 7.76 4.47 0.00 4.16 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 15 P 0.00 4.47 0.00 2.15 2.12 0.00 3.84 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.01 0.00 16 E 8.03 3.92 0.00 2.01 1.95 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 2.45 2.39 0.00 17 L 7.65 3.82 0.00 1.66 1.76 0.83 0.93 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 18 A 7.72 3.87 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 19 A 8.20 3.88 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 20 K 7.99 3.98 0.00 1.83 1.86 0.00 1.46 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.40 7.81 21 L 7.85 3.65 0.00 1.53 0.86 0.35 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 22 K 8.45 4.04 0.00 1.97 1.85 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.55 7.81 23 E 8.41 3.97 0.00 2.17 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 2.32 2.55 0.00 24 L 8.20 4.07 0.00 1.92 1.70 0.32 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 25 L 8.38 4.27 0.00 1.94 1.79 1.09 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 26 A 7.87 4.15 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 27 Q 7.95 4.46 0.00 2.29 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.86 0.00 0.00 0.00 0.00 0.00 2.62 2.42 0.00 28 D 7.93 4.55 0.00 2.75 2.74 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 0.00 0.00 0.00 0.00 29 P 0.00 4.46 0.00 2.09 2.12 0.00 3.79 0.00 0.00 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 30 E 8.11 4.25 0.00 2.13 1.95 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 2.30 2.28 0.00 31 A 7.84 4.31 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 R 8.72 4.36 0.00 1.63 1.85 0.00 3.46 0.00 0.00 3.12 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.61 0.00 33 F 8.55 5.60 0.00 3.04 2.92 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 34 V 9.02 4.74 2.31 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 1.13 0.00 0.00 1.13 0.00 0.00 35 L 8.97 4.82 0.00 1.86 1.58 1.04 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 36 L 9.03 4.90 0.00 1.68 1.44 0.88 0.41 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 37 V 8.80 4.65 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 1.08 0.00 0.00 1.04 0.00 0.00 38 P 0.00 5.07 0.00 2.14 2.04 0.00 4.08 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 1.72 1.78 0.00 39 A 8.46 4.61 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 V 8.48 4.08 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 0.95 0.00 0.00 0.92 0.00 0.00 41 P 0.00 4.95 0.00 2.13 2.05 0.00 3.82 0.00 0.00 3.91 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 42 P 0.00 4.50 0.00 2.16 2.09 0.00 3.79 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 1.98 0.00 43 P 0.00 4.30 0.00 1.93 1.95 0.00 3.56 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.05 0.00 44 G 8.02 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 0.00 0.00 0.00 45 W 8.76 4.44 0.00 3.27 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 46 V 7.87 3.91 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 0.07 0.00 0.00 0.94 0.00 0.00 47 Y 7.41 4.72 0.00 3.02 2.84 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 *50 N 8.49 4.80 0.00 2.79 2.91 0.00 0.00 6.45 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.13 3.92 0.00 2.12 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 0.00 2.44 2.42 0.00 52 V 7.75 3.56 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 0.99 0.00 0.00 0.99 0.00 0.00 53 R 7.92 3.87 0.00 1.92 2.06 0.00 3.24 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 1.82 1.68 0.00 54 R 8.20 4.04 0.00 2.16 2.02 0.00 3.15 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 55 R 8.48 4.17 0.00 2.03 1.93 0.00 3.22 0.00 0.00 3.28 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.56 0.00 56 A 8.05 3.96 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 57 E 8.72 3.92 0.00 2.14 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 0.00 2.34 2.61 0.00 58 E 8.26 4.00 0.00 2.25 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 2.33 2.48 0.00 59 E 8.31 4.09 0.00 2.17 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 2.49 2.49 0.00 60 A 8.24 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 61 A 8.20 3.92 1.39 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 0.00 0.00 62 A 8.16 3.94 1.41 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 0.00 0.00 63 A 8.25 3.92 1.47 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 64 K 8.29 3.86 0.00 1.96 2.02 0.00 1.67 0.00 0.00 1.67 0.00 0.00 3.10 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.63 1.53 7.81 65 R 8.18 4.04 0.00 2.05 1.97 0.00 3.19 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.89 0.00 66 A 7.79 4.00 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 67 L 8.07 4.15 0.00 1.78 1.82 0.85 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 68 E 8.77 4.56 0.00 2.18 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 2.48 2.35 0.00 69 A 7.95 4.19 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 70 Q 7.84 4.39 0.00 2.30 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 5.54 0.00 0.00 0.00 0.00 0.00 2.30 2.52 0.00 71 G 8.08 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 72 I 7.45 4.40 2.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.14 0.83 0.00 0.00 73 P 0.00 4.62 0.00 2.26 2.12 0.00 3.89 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 2.20 2.05 0.00 74 V 8.18 4.55 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 0.96 0.00 0.00 0.99 0.00 0.00 75 E 9.20 4.18 0.00 2.05 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 2.35 2.27 0.00 76 E 7.81 4.88 0.00 2.06 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 0.00 2.23 2.25 0.00 77 A 8.79 5.31 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 78 K 9.31 4.70 0.00 1.63 1.68 0.00 1.85 0.00 0.00 1.70 0.00 0.00 3.26 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.39 7.81 79 A 8.70 4.83 1.25 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 0.00 0.00 0.00 0.00 0.00 0.00 80 G 8.83 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 0.00 0.00 0.00 0.00 81 D 8.71 4.87 0.00 2.70 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 82 I 8.50 3.73 1.91 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.02 0.94 0.00 0.00 83 S 8.75 4.31 0.00 3.86 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 84 P 0.00 3.88 0.00 1.52 0.66 0.00 3.46 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.44 0.00 85 L 7.57 4.06 0.00 1.69 1.83 0.89 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 86 L 8.04 4.01 0.00 1.66 1.69 0.91 0.51 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 87 A 8.26 3.92 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 88 I 7.57 3.33 1.50 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 1.21 0.66 0.24 0.00 0.00 89 E 7.52 3.39 0.00 2.12 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.50 0.00 90 E 8.17 3.99 0.00 2.06 1.93 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 2.29 2.41 0.00 91 E 8.25 3.98 0.00 2.08 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 2.18 2.53 0.00 92 L 7.91 4.08 0.00 1.62 1.68 0.62 0.97 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 93 L 7.77 4.05 0.00 1.74 1.82 0.91 0.90 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 94 A 7.62 4.14 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 H 8.03 4.87 0.00 3.21 3.07 0.00 5.62 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 P 0.00 4.52 0.00 2.16 2.05 0.00 3.76 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 97 G 8.92 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 0.00 0.00 0.00 98 A 7.47 3.78 0.61 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 0.00 0.00 99 Y 7.43 4.94 0.00 2.97 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 0.00 100 Q 8.63 4.40 0.00 1.60 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.66 0.00 0.00 0.00 0.00 0.00 2.22 2.27 0.00 101 G 7.61 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 0.00 0.00 0.00 0.00 102 I 8.81 4.98 1.94 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.73 0.98 0.00 0.00 103 V 9.06 4.70 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.92 0.00 0.00 104 L 9.08 4.84 0.00 1.85 1.64 0.98 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 105 S 9.14 5.33 0.00 3.93 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 0.00 106 T 8.89 4.67 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 1.47 0.00 0.00 107 L 8.06 4.43 0.00 1.40 1.55 0.73 0.91 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 0.00 108 P 0.00 4.38 0.00 2.14 1.93 0.00 3.55 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 2.07 2.06 0.00 109 P 0.00 4.34 0.00 2.03 2.00 0.00 3.62 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 110 G 9.41 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 L 7.74 4.51 0.00 1.56 1.66 0.85 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 112 S 7.87 4.18 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 0.00 113 R 8.60 3.99 0.00 1.89 2.09 0.00 3.19 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.69 0.00 114 W 8.03 4.47 0.00 3.37 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 L 8.37 4.03 0.00 1.69 1.68 0.98 0.64 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 0.00 116 R 7.74 4.02 0.00 1.95 2.04 0.00 3.17 0.00 0.00 3.24 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.81 0.00 117 L 7.69 4.39 0.00 1.88 1.74 1.03 1.10 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 0.00 118 D 8.28 4.58 0.00 2.96 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 0.00 119 V 8.17 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 0.93 0.00 0.00 0.91 0.00 0.00 120 H 8.47 4.18 0.00 3.23 3.21 0.00 5.57 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 T 7.40 4.20 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 1.06 0.00 0.00 122 Q 8.26 3.91 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.83 0.00 0.00 0.00 0.00 0.00 2.62 2.47 0.00 123 A 8.19 4.18 1.41 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 0.00 0.00 124 E 8.05 3.89 0.00 2.12 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 2.30 0.00 125 R 7.33 3.88 0.00 1.76 1.80 0.00 2.80 0.00 0.00 2.92 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.89 0.00 126 F 7.03 4.55 0.00 3.20 3.11 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 0.00 127 G 7.90 4.11 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 0.00 128 L 7.50 4.73 0.00 1.73 1.66 1.04 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 129 P 0.00 4.43 0.00 2.16 2.04 0.00 3.75 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 2.16 2.13 0.00 130 V 8.45 4.79 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 0.88 0.00 0.00 1.06 0.00 0.00 131 I 9.14 4.41 1.91 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 1.16 0.62 0.91 0.00 0.00 132 H 8.88 5.36 0.00 3.19 3.25 0.00 5.69 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 V 8.91 4.35 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.89 0.00 0.00 134 I 8.27 4.77 1.80 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 1.23 0.45 0.87 0.00 0.00 135 A 8.83 4.43 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.