NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.6709 8.3544 109.7298 45.6244 0.0000 175.1689 *3 T 4.0425 8.7798 116.4282 62.5219 69.1290 170.3182 4 H 4.4384 7.8208 119.1539 55.5043 32.0976 174.2793 5 Y 4.1569 7.8799 121.5814 59.4071 37.7603 177.1353 6 S 4.4171 7.4425 113.3351 58.8325 63.7616 175.2247 7 D 4.5827 8.1034 122.5713 54.2797 39.2111 175.4628 8 N 4.4451 8.4077 123.9521 56.1327 39.2998 176.1909 9 T 3.9086 7.8900 116.9069 66.6628 68.5707 176.3086 10 L 4.0238 8.0528 120.2973 57.5872 41.6637 179.3622 11 K 3.9625 8.1157 119.5364 59.6787 32.0909 178.9485 12 V 3.6301 8.3721 118.4906 65.9585 31.4480 177.6926 13 A 4.4440 8.3723 120.5884 55.9074 18.3092 179.3548 14 H 4.4422 8.8785 115.0126 59.0360 28.7432 177.9214 15 Q 3.9034 8.3348 121.6809 59.0511 28.8553 178.2686 16 G 3.9437 8.5501 107.1681 48.1282 0.0000 175.3851 17 F 4.0913 8.8127 123.2994 60.7349 39.2868 177.1572 18 E 3.8479 8.3125 118.4295 59.5722 29.3127 179.4663 19 F 4.6236 7.8077 117.4933 60.2785 38.8171 177.6801 20 F 3.6799 8.2881 120.8836 61.1560 39.1482 177.2862 21 T 3.2900 7.7443 115.7849 66.5817 68.2334 176.3090 22 Q 3.8319 7.8646 121.3829 58.9501 28.9353 178.5616 23 G 2.0000 7.1415 106.6467 46.4924 0.0000 175.7535 24 L 3.7616 6.9192 121.3255 57.3349 41.3478 179.4326 25 A 4.1301 7.7410 121.0884 53.4094 18.4647 178.1610 26 T 4.2142 7.4226 105.0743 60.4584 70.5968 175.4649 27 G 3.8139 8.0402 109.5327 44.7522 0.0000 172.9272 28 E 4.3174 7.5167 120.1295 55.0705 29.5729 176.4614 29 W 4.5697 8.3931 123.2552 56.4025 30.0180 177.5638 30 Q 3.9429 7.9938 120.7306 59.2045 28.2115 178.2883 31 K 3.5928 7.6200 118.2074 58.9865 32.0959 178.6704 32 F 4.4828 7.9473 119.4595 61.4539 39.5644 176.6768 33 L 3.8434 7.9452 117.3948 57.4350 41.6845 179.9367 34 D 4.4453 7.8244 119.9005 52.8727 40.8997 176.4127 *36 L 4.0653 7.4594 117.8504 54.4146 43.1462 177.4958 37 T 4.2162 8.4145 112.5728 61.3019 69.4760 175.5493 38 E 4.0732 8.7678 122.0762 58.9339 29.6410 177.6792 39 D 4.8650 7.9646 116.4790 52.7632 40.0229 175.8268 40 F 4.6152 8.0769 122.9758 60.0468 40.2886 174.2298 41 T 5.0965 8.0643 114.7591 59.8431 72.4714 172.6618 42 F 5.5616 8.5020 116.8045 55.1498 41.8817 172.8373 43 W 5.4486 9.6024 131.5706 54.9111 33.2229 174.1007 44 F 5.2516 8.3257 127.4652 56.0483 42.2986 173.6116 45 P 4.1877 0.0000 0.0000 64.6758 32.2100 177.1915 *47 G 4.0623 7.6458 106.3047 45.1765 0.0000 173.0577 48 E 3.6663 9.1017 119.5833 58.9730 29.6121 178.6389 49 F 4.5922 7.9903 114.3073 57.1375 39.2345 175.1102 50 H 4.3174 7.9673 121.2819 57.8007 30.8165 176.6499 51 G 2.0000 7.7991 112.3478 43.8550 0.0000 171.4628 52 L 3.9803 6.9481 123.4610 54.2169 43.0879 177.0396 53 N 4.6956 8.2572 123.2939 51.0893 41.8256 173.4263 54 V 4.4121 8.4058 122.4360 62.1842 34.1044 176.3793 55 G 4.2556 9.6247 112.1215 46.0074 0.0000 174.4445 56 K 4.1971 8.4907 118.0334 58.7540 32.2083 179.7759 57 E 3.9895 8.1845 118.8625 59.5312 29.4868 179.1208 58 R 4.0870 8.1566 118.0012 59.2262 30.1156 178.1894 59 A 3.4725 8.1977 120.8461 54.9001 18.3699 179.4099 60 K 3.8620 8.2339 118.1542 59.6306 32.2022 178.7433 61 E 3.9771 8.1206 118.4593 59.3845 29.4057 178.8978 62 F 2.7869 7.9750 120.5109 61.1522 39.3269 177.2978 63 F 3.0600 7.5031 117.2138 60.1777 38.4958 177.8957 64 T 3.9041 7.8336 115.6749 66.6929 67.9811 176.0410 65 Y 4.1318 7.6002 120.6272 60.5246 38.8823 177.7819 66 V 3.2755 7.1428 118.4728 66.0791 31.6392 177.9301 67 S 4.4864 8.0012 114.0731 60.5481 62.5652 176.1824 68 E 4.0411 7.7414 119.7616 58.7640 29.4657 177.8295 69 S 4.4055 7.9494 112.7897 58.1109 64.0068 173.5934 70 F 5.4666 7.5749 120.7602 55.1140 37.4466 176.0008 71 H 4.3322 8.3245 122.2440 57.9746 28.9744 176.6032 72 T 4.4393 7.9467 107.4199 60.8804 68.9790 174.6686 73 G 3.8856 8.3730 111.0608 45.4017 0.0000 172.7289 74 I 4.6429 8.0922 118.6779 59.5031 39.9200 175.3401 75 Q 4.5208 9.3212 125.7408 54.4781 31.2485 175.0874 76 I 4.5747 8.1073 123.8696 60.4619 37.1165 175.8292 77 S 4.5202 9.1542 125.5487 61.3332 63.4131 175.4251 78 S 4.6918 8.0274 112.0394 57.0107 66.2109 173.3920 79 L 4.9001 8.7043 124.8261 54.2323 42.3823 174.9371 80 D 4.8268 9.2179 127.3797 55.8219 42.6331 177.9278 81 R 4.6204 7.6987 116.3610 54.5825 34.8101 174.4685 82 V 4.6034 8.3738 123.1573 61.2267 33.8846 174.4569 83 T 4.7929 8.4343 118.1945 60.1051 72.0903 172.9524 84 S 5.0728 8.1996 116.3056 57.7674 66.0130 172.3374 85 N 4.8282 8.7283 116.2717 51.9959 38.8564 174.9427 86 E 4.2509 9.0113 115.5645 59.5571 29.9708 177.4540 87 T 4.7521 8.0270 106.5040 60.8902 71.2228 173.9963 88 T 5.2625 8.7517 119.3919 61.7023 72.4686 173.1521 89 V 4.7542 8.9983 124.6030 61.0198 35.2091 174.1776 90 V 4.6903 8.4899 127.1839 60.9892 34.6449 173.9393 91 F 4.8476 9.0488 126.5775 55.7869 41.2941 174.2195 92 E 5.1651 9.2927 125.0908 54.7096 31.2816 175.3758 93 F 5.6148 9.0223 119.2748 55.4268 42.5392 173.4171 94 R 5.2435 9.4200 118.0887 54.4981 33.2230 174.9451 95 D 5.6809 9.0512 122.0482 52.1607 43.8400 173.8070 96 E 5.2511 8.8384 115.1487 55.8238 33.1680 174.4161 97 G 4.4319 8.8475 107.4028 45.9507 0.0000 172.1893 98 L 4.8980 8.3426 120.5899 53.9840 43.1271 176.3721 99 F 3.8623 9.6655 128.0949 56.7031 38.9049 175.5194 100 L 3.2704 8.6973 132.1647 55.5456 39.4001 176.2813 101 G 3.9196 8.0752 104.2580 45.0950 0.0000 173.0215 102 K 4.7080 7.7200 120.2994 53.6855 34.5774 173.9806 103 P 4.6776 0.0000 0.0000 63.2631 31.9944 174.7374 104 Y 5.0340 9.2295 127.1939 55.8638 41.0367 174.5226 105 K 4.8589 8.3794 124.9968 54.8679 36.8708 174.8111 106 N 5.1506 8.8303 121.1213 52.6797 43.4917 172.6720 107 R 5.0010 8.3737 119.8121 54.3667 33.0214 175.5692 108 V 4.9252 8.4187 121.9256 61.0623 35.7194 173.5407 109 A 5.2177 8.9710 127.5927 50.2146 21.8113 175.3298 110 V 4.8453 8.8551 115.9049 59.4959 35.1092 174.6730 111 S 5.1321 9.2135 120.0115 56.5636 64.8166 172.5958 112 F 5.9938 9.4393 125.9017 56.1474 42.0381 174.1692 113 D 5.4392 9.0584 121.9760 53.0151 43.0641 175.4953 114 V 4.8122 8.8796 122.8290 61.2094 33.9088 175.3374 115 R 4.4612 9.0912 127.3142 55.1317 32.5796 175.7342 116 G 3.8537 8.3358 118.0145 47.1838 0.0000 172.6801 117 D 4.8061 8.9796 123.3963 52.4858 39.5648 175.1785 118 K 4.7013 8.0077 119.1406 55.0787 36.2094 174.6940 119 I 4.9632 8.0710 120.0586 60.0326 39.0848 176.0829 120 C 5.3758 9.2033 119.3541 57.8452 31.7561 173.3097 121 S 5.3304 7.8953 112.7175 58.7545 66.0346 172.8309 122 Y 5.7784 8.3320 120.6329 56.5174 42.6417 173.7540 123 R 5.2329 9.0745 124.1968 54.5919 34.6115 173.4462 124 E 5.1940 8.8365 124.8382 54.6196 31.9911 174.6358 125 Y 4.6478 9.1006 123.5728 56.1948 42.0642 174.2766 126 F 5.3579 8.8019 121.9060 56.5520 40.1308 175.9043 127 G 4.0501 9.3639 109.8427 46.3797 0.0000 173.1086 128 S 4.5505 7.8709 114.3662 57.4868 64.3031 173.6882 129 D 4.7793 8.7793 121.8654 52.9994 39.6941 177.1319 130 G 4.1450 8.2476 107.6946 45.9287 0.0000 174.9069 131 K 4.4948 7.9928 117.2539 56.0938 33.8783 175.9780 132 S 4.6193 7.5820 111.1504 57.7083 65.2706 174.4741 133 N 4.4156 8.4027 118.0278 53.4950 36.6624 174.2493 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 0 G 8.35 3.67 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 0.00 0.00 0.00 *3 T 8.78 4.04 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 1.21 0.00 0.00 4 H 7.82 4.44 0.00 3.01 2.91 0.00 5.73 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 Y 7.88 4.16 0.00 3.04 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 6 S 7.44 4.42 0.00 3.96 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 7 D 8.10 4.58 0.00 2.81 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 8 N 8.41 4.45 0.00 2.92 2.83 0.00 0.00 7.08 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 9 T 7.89 3.91 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 1.24 0.00 0.00 10 L 8.05 4.02 0.00 1.92 1.81 0.93 0.56 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 11 K 8.12 3.96 0.00 2.00 2.01 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.51 7.81 12 V 8.37 3.63 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 1.18 0.00 0.00 1.08 0.00 0.00 13 A 8.37 4.44 1.71 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 14 H 8.88 4.44 0.00 3.52 3.47 0.00 5.62 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 Q 8.33 3.90 0.00 2.16 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.31 2.07 0.00 16 G 8.55 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 17 F 8.81 4.09 0.00 2.41 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 18 E 8.31 3.85 0.00 1.95 1.76 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 2.48 2.40 0.00 19 F 7.81 4.62 0.00 3.31 3.15 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 20 F 8.29 3.68 0.00 2.67 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 21 T 7.74 3.29 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 1.02 0.00 0.00 22 Q 7.86 3.83 0.00 2.04 2.12 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 2.11 2.22 0.00 23 G 7.14 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 0.00 0.00 0.00 0.00 0.00 0.00 24 L 6.92 3.76 0.00 1.39 1.56 0.45 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 25 A 7.74 4.13 1.17 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 0.00 0.00 26 T 7.42 4.21 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 1.10 0.00 0.00 27 G 8.04 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 0.00 0.00 0.00 28 E 7.52 4.32 0.00 1.83 1.77 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 2.14 2.30 0.00 29 W 8.39 4.57 0.00 3.35 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 30 Q 7.99 3.94 0.00 2.13 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.92 0.00 0.00 0.00 0.00 0.00 2.38 2.61 0.00 31 K 7.62 3.59 0.00 1.11 0.74 0.00 1.36 0.00 0.00 0.86 0.00 0.00 2.82 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.02 1.14 7.81 32 F 7.95 4.48 0.00 3.04 3.37 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 33 L 7.95 3.84 0.00 1.76 1.63 0.97 1.29 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 34 D 7.82 4.45 0.00 2.71 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 *36 L 7.46 4.07 0.00 1.30 0.96 -0.30 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.41 4.22 4.36 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 1.31 0.00 0.00 38 E 8.77 4.07 0.00 2.02 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 0.00 2.34 2.26 0.00 39 D 7.96 4.86 0.00 2.81 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 F 8.08 4.62 0.00 3.37 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 41 T 8.06 5.10 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 1.22 0.00 0.00 42 F 8.50 5.56 0.00 3.08 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 W 9.60 5.45 0.00 3.33 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 44 F 8.33 5.25 0.00 3.07 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 P 0.00 4.19 0.00 1.24 1.59 0.00 2.20 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.46 0.00 *47 G 7.65 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 0.00 0.00 0.00 0.00 48 E 9.10 3.67 0.00 1.65 1.58 0.00 0.00 0.00 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 1.82 0.00 49 F 7.99 4.59 0.00 3.00 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 H 7.97 4.32 0.00 3.22 3.29 0.00 5.96 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 G 7.80 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 0.00 0.00 0.00 0.00 0.00 0.00 52 L 6.95 3.98 0.00 1.41 1.29 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 53 N 8.26 4.70 0.00 1.44 1.67 0.00 0.00 6.04 7.87 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 54 V 8.41 4.41 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 0.80 0.00 0.00 0.84 0.00 0.00 55 G 9.62 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 0.00 0.00 0.00 0.00 56 K 8.49 4.20 0.00 1.85 1.86 0.00 1.96 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.60 7.81 57 E 8.18 3.99 0.00 2.16 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 1.93 0.00 58 R 8.16 4.09 0.00 2.04 2.40 0.00 3.67 0.00 0.00 3.43 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 2.22 0.00 59 A 8.20 3.47 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.23 3.86 0.00 1.87 2.01 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.53 7.81 61 E 8.12 3.98 0.00 2.51 2.22 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 2.41 2.66 0.00 62 F 7.97 2.79 0.00 2.11 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 0.00 0.00 0.00 0.00 63 F 7.50 3.06 0.00 2.34 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 T 7.83 3.90 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 1.27 0.00 0.00 65 Y 7.60 4.13 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 66 V 7.14 3.28 1.74 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 0.77 0.00 0.00 -0.07 0.00 0.00 67 S 8.00 4.49 0.00 4.13 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 68 E 7.74 4.04 0.00 2.19 2.30 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 2.44 2.34 0.00 69 S 7.95 4.41 0.00 3.95 3.65 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 70 F 7.57 5.47 0.00 3.20 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 71 H 8.32 4.33 0.00 3.12 3.34 0.00 5.66 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 T 7.95 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 1.24 0.00 0.00 73 G 8.37 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 74 I 8.09 4.64 1.61 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.30 0.97 0.00 0.00 75 Q 9.32 4.52 0.00 2.05 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.84 0.00 0.00 0.00 0.00 0.00 2.30 2.47 0.00 76 I 8.11 4.57 1.81 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.30 1.01 0.00 0.00 77 S 9.15 4.52 0.00 3.91 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 78 S 8.03 4.69 0.00 4.01 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 79 L 8.70 4.90 0.00 1.83 1.74 0.94 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 80 D 9.22 4.83 0.00 2.61 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 81 R 7.70 4.62 0.00 1.65 1.69 0.00 3.03 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 82 V 8.37 4.60 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.19 0.00 0.00 0.77 0.00 0.00 83 T 8.43 4.79 4.13 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 1.11 0.00 0.00 84 S 8.20 5.07 0.00 3.90 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 85 N 8.73 4.83 0.00 2.89 2.88 0.00 0.00 7.43 7.28 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 86 E 9.01 4.25 0.00 1.98 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 2.31 2.30 0.00 87 T 8.03 4.75 4.29 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 1.24 0.00 0.00 88 T 8.75 5.26 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 89 V 9.00 4.75 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 0.20 0.00 0.00 0.95 0.00 0.00 90 V 8.49 4.69 1.90 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 0.86 0.00 0.00 0.83 0.00 0.00 91 F 9.05 4.85 0.00 2.72 2.36 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 92 E 9.29 5.17 0.00 1.85 1.84 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 2.17 2.15 0.00 93 F 9.02 5.61 0.00 3.36 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 94 R 9.42 5.24 0.00 1.82 1.87 0.00 3.08 0.00 0.00 3.33 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.65 0.00 95 D 9.05 5.68 0.00 2.99 3.14 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 96 E 8.84 5.25 0.00 2.15 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 2.22 2.29 0.00 97 G 8.85 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 98 L 8.34 4.90 0.00 1.68 1.63 0.95 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 99 F 9.67 3.86 0.00 2.44 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 0.00 100 L 8.70 3.27 0.00 1.21 1.34 0.45 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 101 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 0.00 102 K 7.72 4.71 0.00 1.98 1.81 0.00 1.60 0.00 0.00 1.59 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.42 7.81 103 P 0.00 4.68 0.00 2.13 2.15 0.00 3.80 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.00 0.00 104 Y 9.23 5.03 0.00 3.26 3.40 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 0.00 105 K 8.38 4.86 0.00 1.53 1.49 0.00 1.72 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.44 1.34 7.81 106 N 8.83 5.15 0.00 2.02 2.56 0.00 0.00 6.88 7.27 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 0.00 107 R 8.37 5.00 0.00 1.63 1.73 0.00 3.10 0.00 0.00 3.24 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 108 V 8.42 4.93 0.70 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 1.35 0.00 0.00 0.92 0.00 0.00 109 A 8.97 5.22 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 0.00 110 V 8.86 4.85 1.77 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 1.06 0.00 0.00 0.88 0.00 0.00 111 S 9.21 5.13 0.00 3.93 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 0.00 112 F 9.44 5.99 0.00 3.13 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 0.00 113 D 9.06 5.44 0.00 2.82 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 0.00 114 V 8.88 4.81 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 0.88 0.00 0.00 1.15 0.00 0.00 115 R 9.09 4.46 0.00 1.83 1.80 0.00 3.31 0.00 0.00 3.21 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 116 G 8.34 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 0.00 0.00 0.00 117 D 8.98 4.81 0.00 2.83 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 0.00 118 K 8.01 4.70 0.00 1.95 1.71 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.32 1.38 7.81 119 I 8.07 4.96 1.68 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.68 1.04 0.00 0.00 120 C 9.20 5.38 0.00 3.06 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 0.00 121 S 7.90 5.33 0.00 3.91 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 0.00 122 Y 8.33 5.78 0.00 3.55 2.97 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 0.00 123 R 9.07 5.23 0.00 1.84 1.51 0.00 3.16 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.68 0.00 124 E 8.84 5.19 0.00 2.37 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 2.44 2.56 0.00 125 Y 9.10 4.65 0.00 2.88 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 0.00 126 F 8.80 5.36 0.00 2.93 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 0.00 127 G 9.36 4.05 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 0.00 128 S 7.87 4.55 0.00 3.76 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 0.00 129 D 8.78 4.78 0.00 2.78 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 0.00 130 G 8.25 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 0.00 131 K 7.99 4.49 0.00 1.88 1.82 0.00 1.77 0.00 0.00 1.79 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.50 7.81 132 S 7.58 4.62 0.00 3.90 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 0.00 133 N 8.40 4.42 0.00 2.79 2.67 0.00 0.00 5.92 7.56 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 * Residues marked with a * may have inaccurate shift predictions.