NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 T 4.2269 8.1744 110.9427 61.3697 70.0734 172.6635 8 D 4.4728 8.2455 121.6462 50.6514 41.3467 174.7020 9 P 4.3243 0.0000 0.0000 65.5205 32.4698 177.0648 10 R 4.2029 8.1023 115.9455 56.7551 30.5344 176.7514 11 A 4.2050 7.3820 120.9735 51.2242 18.9728 177.2502 12 K 4.0009 8.4878 121.0697 56.2325 32.7434 176.5205 13 W 4.2329 8.8277 135.0000 57.2942 31.1257 175.5729 14 V 4.0403 7.5935 125.6637 59.9727 31.5525 173.0953 15 P 3.8750 0.0000 0.0000 62.1516 32.1361 175.7252 16 Q 4.6761 8.6340 117.3109 54.6837 31.8200 174.2102 17 D 5.6028 8.5501 115.9681 54.3299 41.5852 175.4427 18 N 4.9869 9.4862 112.7703 52.0014 38.7653 174.0405 19 D 4.2629 7.9753 119.0288 53.7957 42.4760 175.3146 20 I 3.0398 7.9501 120.4788 62.0365 37.9398 176.5031 21 Q 4.2886 8.4665 119.5208 55.9631 29.2842 175.1800 22 A 4.7618 7.4734 121.8832 50.4744 20.5384 177.8456 23 C 4.6267 8.9414 119.0159 59.3511 41.8815 174.3347 24 D 4.9533 8.1502 118.5921 52.9618 39.5207 175.2926 25 Y 4.7197 8.2625 122.8809 57.4637 39.1768 176.6828 26 W 4.6291 8.8343 125.0843 59.9534 28.0407 178.1870 27 R 3.4599 5.8400 115.0990 57.6477 29.8740 176.3708 28 H 5.1458 8.3550 115.9997 55.7522 28.8552 174.5920 29 C 2.5952 7.8029 116.1542 57.7078 41.2872 174.4072 30 S 4.7920 7.7632 115.4477 56.8141 62.1457 173.7079 31 I 3.3585 7.4267 118.0864 59.9199 39.8247 174.1381 32 D 4.7663 8.7889 126.3357 53.6598 44.3563 171.9434 33 G 4.2192 7.7763 117.4371 44.2832 0.0000 175.5596 34 N 5.4263 9.5163 122.6486 50.8946 42.3448 173.3715 35 I 4.2751 8.2075 122.6184 60.9262 37.5852 176.4103 36 C 4.0809 8.6965 124.0853 60.1532 35.2664 175.8185 37 D 4.1007 8.1678 118.1276 56.8384 40.7787 177.7385 38 C 4.8135 8.1888 114.8556 57.3260 40.3982 173.8447 39 S 4.6205 8.5901 113.9624 58.3580 63.5941 174.9645 40 G 4.0687 8.6619 108.6942 45.9899 0.0000 174.4923 41 G 4.0713 7.5796 111.0814 44.8999 0.0000 171.3622 42 S 4.9452 8.1759 115.3630 56.2799 66.3687 173.2795 43 L 4.0452 8.7113 120.8931 58.1598 41.5820 178.5002 44 T 4.7899 7.8123 103.9734 60.9458 69.6376 172.8248 45 N 5.0835 7.8962 118.8755 51.7678 42.0663 173.2452 46 C 4.7933 8.3974 117.6881 55.6662 35.7216 172.2719 47 P 4.6698 0.0000 0.0000 60.8889 31.7105 174.4014 48 P 4.3032 0.0000 0.0000 64.2706 31.6264 177.1545 49 G 3.9572 8.8990 110.9210 45.2539 0.0000 173.4294 50 T 4.2399 6.7381 108.7640 60.5622 70.8700 174.1844 51 K 4.5594 8.8791 121.4374 54.4658 35.0916 175.4438 52 L 4.5692 8.4482 126.7775 53.9211 42.9270 176.0622 53 A 4.6343 8.6672 129.0210 52.5969 18.9498 176.8190 54 T 4.3629 8.7522 109.2371 63.2343 70.9225 175.5096 55 A 4.7653 8.0006 123.5281 50.9813 20.8886 178.0208 56 S 3.9322 7.0607 117.8297 58.7360 65.9201 179.1642 *58 V 4.4980 8.7259 113.7883 61.6099 32.6565 172.9472 59 A 4.6294 8.0347 118.8946 51.4714 22.2841 175.4515 60 S 4.9712 8.8894 116.4939 57.8636 63.3436 173.8541 61 C 5.3015 9.6534 125.5185 55.3282 38.6753 172.5801 62 Y 4.6882 9.0216 124.9400 57.3202 40.1695 173.3697 63 N 3.7707 8.1986 126.7270 50.7309 39.2959 173.7953 64 P 4.0983 0.0000 0.0000 65.3161 31.8298 178.1450 65 T 3.8858 7.9212 116.4935 66.1393 68.2983 175.1065 66 D 4.6252 7.5403 116.3011 52.1816 39.9500 176.4677 67 G 3.9091 7.7320 106.9322 46.2722 0.0000 173.5683 68 Q 4.5562 8.1595 118.8161 54.2201 31.6683 174.5774 69 S 5.3168 8.1697 116.9160 57.2021 65.6319 172.8084 70 Y 5.1315 9.3434 121.7652 55.9743 41.8296 174.5157 71 L 4.7874 9.2468 125.5460 54.7691 43.6793 175.3224 72 I 4.5334 8.8515 127.9194 59.7278 39.2679 174.8329 73 A 4.1683 8.1361 129.5368 50.4118 19.1276 176.8377 74 Y 4.7695 7.8782 120.7037 58.0542 35.7889 175.7320 75 R 4.4071 7.9962 121.3958 55.9160 32.4639 175.4364 76 D 5.5050 8.6142 121.6034 53.1938 44.2183 174.6091 77 C 5.2303 8.8899 119.1168 55.8573 37.4898 172.5209 78 C 5.8021 9.0650 120.8654 54.2712 44.4047 174.9563 79 G 4.0798 9.3139 106.2393 45.8197 0.0000 172.9101 80 Y 4.7794 7.3304 114.8152 55.5888 41.9101 174.6845 81 N 4.5397 8.4926 120.3288 52.8855 39.8213 174.8569 82 V 3.7109 8.4532 121.8696 63.4305 31.9073 176.2820 83 S 4.1538 8.3200 122.0020 59.9586 62.7770 175.8975 84 G 3.9638 7.7412 107.3424 45.1147 0.0000 172.9828 85 R 4.5085 7.7018 118.3260 55.5887 33.0737 175.4599 86 C 4.2494 8.6964 117.9743 57.4889 37.4702 171.2420 87 P 5.0464 0.0000 0.0000 63.0156 32.6352 177.0504 88 C 5.0180 9.0441 117.3316 55.8520 45.3717 173.4510 89 L 4.8077 8.3526 123.8053 54.5049 43.5653 174.2641 90 N 5.1443 9.1752 124.2550 50.9423 43.0812 174.5771 91 T 4.8798 7.6310 109.1961 61.0214 69.2067 173.8876 92 E 4.0161 8.1627 122.7618 58.8583 29.3678 177.9105 93 G 3.7514 8.7966 111.9381 45.2669 0.0000 172.2189 94 E 4.2707 7.9339 121.5950 56.2555 29.5504 176.2057 95 L 4.7906 8.5270 126.3573 52.0446 45.3648 174.1957 96 P 4.3928 0.0000 0.0000 62.3713 32.1091 177.9796 97 V 3.6701 8.5046 120.3464 64.8840 31.1757 176.8069 98 Y 4.4430 7.8944 115.9978 58.0002 38.7533 175.5607 99 R 4.7146 7.6695 119.3812 53.9168 30.8643 174.1795 100 P 4.3969 0.0000 0.0000 66.0198 31.6236 178.7887 101 E 3.6440 8.1784 115.3419 58.2801 29.3717 177.4235 102 F 5.1107 8.4160 116.0524 56.8457 40.1691 173.8015 103 A 5.1557 8.5780 124.6514 50.5286 19.4710 177.4742 104 N 5.0908 9.2281 119.8608 52.8381 37.5498 175.4498 105 D 4.7520 7.8409 117.6793 54.8573 41.6344 176.9460 106 I 3.4978 7.2221 120.2735 60.7165 37.5162 176.0197 107 I 3.7983 7.5831 125.6542 60.4597 36.4576 176.6966 108 W 4.7196 8.6030 130.2272 55.8353 27.5189 176.7103 109 C 4.8949 7.2445 114.8887 56.1698 39.1362 174.4380 110 F 4.5746 7.4527 119.8921 59.3283 38.8911 176.2826 111 G 4.3322 9.4086 112.2471 46.3714 0.0000 173.6609 112 A 4.7335 7.6343 122.2434 51.1508 19.2762 177.1299 113 E 3.9735 8.5896 119.8834 57.8195 30.0969 177.3201 114 D 4.4862 9.2379 119.3172 54.7583 38.4809 173.4461 115 D 4.4135 7.9344 116.0006 54.9476 38.9498 173.9351 116 A 4.1193 7.7606 121.3623 52.9463 18.6163 178.3457 117 M 4.6683 8.4938 120.2503 54.7083 34.2646 175.7175 118 T 4.3276 7.6165 110.3620 61.3076 70.8226 173.0246 119 Y 4.4906 8.5677 125.6542 57.8100 39.4813 172.9789 120 H 4.7062 7.9260 124.9022 56.9832 32.2712 171.1606 121 C 4.8404 6.7201 109.6642 55.0510 39.2030 171.7582 122 T 5.3999 9.0928 115.8196 61.8010 71.1853 173.9694 123 I 4.6295 8.5548 118.5521 59.0948 40.5666 175.0356 124 S 4.9750 8.2754 117.1740 56.6152 61.8276 172.3984 125 P 4.5327 0.0000 0.0000 62.3265 33.6890 176.9141 126 I 4.6494 8.0895 122.0710 60.6840 37.9928 176.1949 127 V 4.2479 9.7391 118.7084 60.1454 32.8388 175.6738 128 G 4.1801 7.3685 110.1518 45.0729 0.0000 171.5431 129 K 4.4575 8.0487 118.5661 55.9637 33.2387 176.7727 130 A 4.9705 8.4415 124.6005 50.4022 22.2704 176.6338 131 S 4.3698 8.5777 111.2899 59.0281 62.7900 174.8716 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 7 T 8.17 4.23 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 8 D 8.25 4.47 0.00 2.83 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 9 P 0.00 4.32 0.00 2.24 2.20 0.00 3.83 0.00 0.00 3.81 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 10 R 8.10 4.20 0.00 1.98 2.04 0.00 3.18 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 11 A 7.38 4.20 1.32 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 0.00 0.00 0.00 0.00 0.00 12 K 8.49 4.00 0.00 1.77 1.78 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.52 1.51 7.81 13 W 8.83 4.23 0.00 3.35 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 14 V 7.59 4.04 1.91 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 0.82 0.00 0.00 0.94 0.00 0.00 15 P 0.00 3.88 0.00 2.21 1.66 0.00 3.64 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.17 0.00 16 Q 8.63 4.68 0.00 2.28 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.99 0.00 0.00 0.00 0.00 0.00 2.40 2.45 0.00 17 D 8.55 5.60 0.00 2.60 2.66 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 0.00 0.00 0.00 0.00 18 N 9.49 4.99 0.00 2.77 2.88 0.00 0.00 6.53 7.94 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 19 D 7.98 4.26 0.00 2.67 2.57 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 0.00 20 I 7.95 3.04 1.32 0.00 0.00 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 1.19 0.54 -0.07 0.00 0.00 21 Q 8.47 4.29 0.00 2.15 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.70 0.00 0.00 0.00 0.00 0.00 2.31 2.24 0.00 22 A 7.47 4.76 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 23 C 8.94 4.63 0.00 3.13 3.34 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 24 D 8.15 4.95 0.00 2.67 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 25 Y 8.26 4.72 0.00 3.37 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 26 W 8.83 4.63 0.00 3.72 3.26 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 27 R 5.84 3.46 0.00 1.42 1.31 0.00 2.21 0.00 0.00 2.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.95 0.00 28 H 8.36 5.15 0.00 3.54 3.37 0.00 5.63 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 C 7.80 2.60 0.00 2.31 3.41 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 30 S 7.76 4.79 0.00 3.78 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 I 7.43 3.36 1.80 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.43 0.86 0.00 0.00 32 D 8.79 4.77 0.00 2.79 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 0.00 0.00 0.00 0.00 33 G 7.78 4.22 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 0.00 34 N 9.52 5.43 0.00 2.67 2.86 0.00 0.00 7.39 7.52 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 35 I 8.21 4.28 1.86 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 1.12 0.54 0.96 0.00 0.00 36 C 8.70 4.08 0.00 2.96 3.12 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 37 D 8.17 4.10 0.00 2.71 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 38 C 8.19 4.81 0.00 3.13 3.09 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 39 S 8.59 4.62 0.00 3.96 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 40 G 8.66 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 0.00 0.00 0.00 41 G 7.58 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 0.00 0.00 0.00 42 S 8.18 4.95 0.00 3.90 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 L 8.71 4.05 0.00 1.63 1.69 0.92 0.64 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 44 T 7.81 4.79 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 1.17 0.00 0.00 45 N 7.90 5.08 0.00 2.69 2.67 0.00 0.00 7.02 9.01 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 46 C 8.40 4.79 0.00 2.90 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 47 P 0.00 4.67 0.00 1.98 2.10 0.00 3.76 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 2.09 2.10 0.00 48 P 0.00 4.30 0.00 2.01 1.96 0.00 3.63 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 2.00 2.05 0.00 49 G 8.90 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 50 T 6.74 4.24 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.30 0.00 0.00 51 K 8.88 4.56 0.00 1.62 1.95 0.00 1.66 0.00 0.00 1.55 0.00 0.00 2.79 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.49 1.67 7.81 52 L 8.45 4.57 0.00 1.73 1.54 0.92 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 53 A 8.67 4.63 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 54 T 8.75 4.36 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 1.30 0.00 0.00 55 A 8.00 4.77 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 56 S 7.06 3.93 0.00 3.99 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 *58 V 8.73 4.50 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 0.90 0.00 0.00 0.97 0.00 0.00 59 A 8.03 4.63 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 60 S 8.89 4.97 0.00 3.95 3.83 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 61 C 9.65 5.30 0.00 3.25 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 Y 9.02 4.69 0.00 3.17 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 63 N 8.20 3.77 0.00 1.44 2.23 0.00 0.00 6.57 7.37 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 64 P 0.00 4.10 0.00 2.14 2.17 0.00 3.19 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 2.05 0.00 65 T 7.92 3.89 4.12 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 1.13 0.00 0.00 66 D 7.54 4.63 0.00 2.68 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 67 G 7.73 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 0.00 0.00 0.00 68 Q 8.16 4.56 0.00 1.89 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.48 6.73 0.00 0.00 0.00 0.00 0.00 2.42 2.38 0.00 69 S 8.17 5.32 0.00 3.76 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 70 Y 9.34 5.13 0.00 3.25 3.08 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 71 L 9.25 4.79 0.00 1.79 1.59 1.08 1.06 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 72 I 8.85 4.53 1.34 0.00 0.00 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 1.27 1.10 0.12 0.00 0.00 73 A 8.14 4.17 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 74 Y 7.88 4.77 0.00 2.93 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 75 R 8.00 4.41 0.00 1.79 1.88 0.00 3.31 0.00 0.00 3.52 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.63 0.00 76 D 8.61 5.50 0.00 2.86 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 C 8.89 5.23 0.00 2.74 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 78 C 9.07 5.80 0.00 2.78 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 79 G 9.31 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 80 Y 7.33 4.78 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 81 N 8.49 4.54 0.00 2.64 2.72 0.00 0.00 6.93 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 82 V 8.45 3.71 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 1.07 0.00 0.00 1.02 0.00 0.00 83 S 8.32 4.15 0.00 3.98 3.61 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 84 G 7.74 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 85 R 7.70 4.51 0.00 1.80 1.83 0.00 3.33 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 86 C 8.70 4.25 0.00 3.11 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 87 P 0.00 5.05 0.00 2.19 2.07 0.00 3.76 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 88 C 9.04 5.02 0.00 2.83 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 89 L 8.35 4.81 0.00 1.53 1.50 0.93 0.86 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 90 N 9.18 5.14 0.00 2.35 2.11 0.00 0.00 6.18 7.81 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 91 T 7.63 4.88 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 1.18 0.00 0.00 92 E 8.16 4.02 0.00 1.87 1.91 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 1.91 2.15 0.00 93 G 8.80 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 0.00 0.00 0.00 94 E 7.93 4.27 0.00 1.94 1.87 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 2.56 2.61 0.00 95 L 8.53 4.79 0.00 1.77 1.44 0.83 0.94 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 96 P 0.00 4.39 0.00 1.56 2.06 0.00 3.28 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.09 0.00 97 V 8.50 3.67 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 0.83 0.00 0.00 0.95 0.00 0.00 98 Y 7.89 4.44 0.00 3.11 3.12 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 99 R 7.67 4.71 0.00 1.78 1.91 0.00 3.40 0.00 0.00 3.34 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.52 0.00 100 P 0.00 4.40 0.00 2.47 2.49 0.00 3.82 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.07 0.00 101 E 8.18 3.64 0.00 1.50 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 1.47 1.47 0.00 102 F 8.42 5.11 0.00 3.07 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 0.00 103 A 8.58 5.16 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 0.00 104 N 9.23 5.09 0.00 2.78 2.90 0.00 0.00 7.02 8.07 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 0.00 105 D 7.84 4.75 0.00 2.62 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 7.22 3.50 0.91 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.30 -0.42 0.00 0.00 107 I 7.58 3.80 1.61 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.64 0.92 0.00 0.00 108 W 8.60 4.72 0.00 3.65 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 C 7.24 4.89 0.00 2.72 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 0.00 110 F 7.45 4.57 0.00 3.29 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 G 9.41 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 0.00 0.00 0.00 0.00 112 A 7.63 4.73 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 0.00 113 E 8.59 3.97 0.00 2.09 1.89 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 2.40 2.41 0.00 114 D 9.24 4.49 0.00 2.84 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 D 7.93 4.41 0.00 2.81 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 A 7.76 4.12 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 0.00 117 M 8.49 4.67 0.00 1.89 2.02 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.59 0.00 118 T 7.62 4.33 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 0.00 119 Y 8.57 4.49 0.00 2.98 2.94 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 0.00 120 H 7.93 4.71 0.00 3.22 3.24 0.00 5.87 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 C 6.72 4.84 0.00 3.13 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 0.00 122 T 9.09 5.40 4.39 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 1.55 0.00 0.00 123 I 8.55 4.63 1.98 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 1.44 0.92 0.91 0.00 0.00 124 S 8.28 4.97 0.00 3.76 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 0.00 125 P 0.00 4.53 0.00 2.05 2.11 0.00 3.80 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 2.04 1.94 0.00 126 I 8.09 4.65 1.85 0.00 0.00 0.69 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 0.42 1.08 0.00 0.00 127 V 9.74 4.25 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 0.63 0.00 0.00 0.99 0.00 0.00 128 G 7.37 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 0.00 0.00 0.00 0.00 129 K 8.05 4.46 0.00 1.61 1.62 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.80 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.85 1.33 7.81 130 A 8.44 4.97 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 0.00 131 S 8.58 4.37 0.00 3.77 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.