NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4579 8.3301 115.5292 57.6425 63.8660 172.7012 3 A 4.2227 8.4201 123.1848 52.0999 18.9045 175.1981 4 T 4.6623 9.6602 114.2732 61.3894 72.2734 170.8620 5 T 5.1156 8.5780 121.9139 62.0157 71.9917 172.5476 6 C 5.1515 9.4144 125.0667 55.6645 43.2033 176.0150 7 G 3.9328 9.3815 117.3801 46.6794 0.0000 173.9211 8 S 4.6264 9.2544 118.9022 58.2946 65.4694 174.0475 9 T 4.0038 8.1273 119.3030 62.7738 68.8721 173.1479 10 N 5.1244 8.3499 124.0013 52.2215 39.9463 173.8846 11 Y 5.0226 9.1019 122.7358 56.0480 40.9184 176.2111 12 S 4.5541 9.1586 118.5492 57.6250 64.7338 175.2564 13 A 3.9654 8.6407 122.1180 55.2168 18.0627 180.0843 14 S 4.0412 7.9684 112.4452 61.6427 63.2307 176.6229 15 Q 4.0088 8.0885 121.6611 58.6816 28.3754 178.9361 16 V 3.4405 7.7034 119.1688 65.8485 31.5175 178.2539 17 R 3.7133 8.0047 117.6650 59.1897 29.9197 178.7991 18 A 3.9339 8.0475 120.1994 55.1229 18.2828 179.6118 19 A 4.0147 7.9651 118.8044 55.3227 18.5092 179.6669 20 A 3.9031 8.2272 119.7141 55.1798 18.3816 179.3501 21 N 4.1109 8.6563 115.5625 56.7138 39.0584 176.8269 22 A 3.7890 7.9995 121.7810 55.1158 18.5228 179.0885 23 A 3.1789 7.4481 119.2386 55.3498 18.3188 178.9342 24 C 4.2022 7.9832 116.5392 59.9763 39.6616 175.5259 25 Q 3.8752 8.0056 119.4595 59.4108 28.4643 178.8763 26 Y 4.0205 7.8848 117.2976 61.1800 38.0674 177.7623 27 Y 4.2783 8.7051 120.7894 61.1779 38.6210 178.3773 28 Q 3.8331 8.3510 117.7095 58.5741 28.8813 177.7481 29 N 4.5813 7.7762 114.2708 51.8042 39.6882 174.3405 30 D 4.3068 7.6824 118.5717 55.9316 40.0837 172.1541 31 D 5.4302 8.0669 116.3609 52.8292 44.7316 177.0276 32 T 4.8635 8.4052 108.8578 59.8517 72.6682 173.0296 33 A 4.0024 8.7329 125.6497 51.2519 19.4272 177.2120 34 G 3.7640 9.1204 112.0093 46.7492 0.0000 174.1104 35 S 4.6324 8.7473 119.7293 57.9195 63.1836 174.3671 36 S 4.6888 7.6612 116.9999 58.0866 64.8650 174.0534 37 T 4.4611 8.0761 109.1804 61.7208 68.7949 172.9336 38 Y 5.0609 7.4922 120.2546 56.2323 39.9833 173.6342 39 P 5.5831 0.0000 0.0000 62.8162 32.7552 174.7721 40 H 5.2106 8.5937 115.5408 53.9693 32.6957 172.2967 41 T 4.3477 8.7630 115.3986 64.5623 68.9538 173.2697 42 Y 4.6702 8.4809 127.4408 55.9961 39.3038 175.4140 43 N 4.0457 8.1871 124.9840 53.8865 39.1691 174.6563 44 N 4.0084 5.8815 115.6079 54.5902 37.0057 175.3100 45 Y 4.3435 7.2509 115.6305 60.8883 38.4117 177.8286 46 E 3.9442 8.2287 117.6006 56.7453 30.0702 176.2494 47 G 3.6402 7.5256 106.3989 46.3819 0.0000 174.2665 48 F 4.1414 8.2141 117.1030 57.1926 39.8449 176.8287 49 D 4.6311 8.5627 125.8772 52.5660 39.0114 176.4482 50 F 4.5237 7.4111 121.0429 56.8657 39.8763 174.8223 51 P 4.3417 0.0000 0.0000 63.9775 31.5309 176.7544 52 V 4.6047 7.1660 110.6846 59.2757 35.0747 175.1465 53 D 4.7452 8.5594 121.8075 53.9761 41.7365 176.8068 54 G 2.7946 7.7454 109.6486 43.3625 0.0000 171.6033 55 P 4.1468 0.0000 0.0000 63.0381 32.8005 174.8385 56 Y 5.3145 8.1773 116.8461 56.3862 42.0269 174.6539 57 Q 5.1463 8.9655 119.5075 54.1996 32.8953 174.3328 58 E 4.9959 9.0633 121.3734 54.9607 32.3382 174.6427 59 F 4.6537 8.6711 122.8032 56.1106 43.3038 171.9307 60 P 4.0756 0.0000 0.0000 62.4376 31.8233 175.4274 61 I 4.6871 7.6938 121.8706 59.3428 40.8450 174.4885 62 K 4.8303 8.1703 124.5088 56.4666 35.0949 175.3273 63 S 4.4200 8.5687 116.0654 59.4151 63.4028 175.0348 64 G 3.8060 8.5993 108.8371 45.4890 0.0000 172.6201 65 G 3.9139 7.9339 105.1282 43.0899 0.0000 173.0263 *67 V 3.9989 7.8012 118.0253 62.3222 31.9669 174.2882 68 Y 4.1699 8.7095 127.1710 58.8741 38.8683 176.5184 69 T 4.3406 8.6554 119.8666 62.4718 70.7355 173.6370 70 G 3.9228 7.2528 107.3648 43.6006 0.0000 173.4465 71 G 3.7827 8.1165 106.4427 44.3633 0.0000 172.6306 72 S 4.2647 8.5837 115.6225 57.9479 62.6735 173.6472 73 P 4.1168 0.0000 0.0000 63.5226 31.8625 177.1975 74 G 3.7557 8.0398 106.0312 44.5374 0.0000 171.9791 75 A 4.4417 8.4602 118.1776 53.5836 20.4670 177.6858 76 D 5.3077 8.0381 114.7877 53.4875 43.5128 176.0609 77 R 4.8473 8.5966 118.9838 54.8949 35.1684 174.3799 78 V 4.5911 9.2701 115.7627 59.6768 34.5843 175.0438 79 V 4.6053 8.4823 123.9610 60.9053 34.3370 174.4013 80 I 5.0420 8.3272 120.1812 59.1671 41.7842 173.9411 81 N 5.4199 8.7433 121.1524 51.0595 40.0710 175.6688 82 T 3.6014 8.0458 106.5810 62.9830 68.4743 174.5823 83 N 4.7231 8.0660 118.2555 52.8811 39.2459 175.2073 84 C 3.9929 7.9651 114.6934 58.0451 37.3748 172.6526 85 E 4.6225 8.3843 118.9987 54.7127 30.5335 175.3626 86 Y 4.3014 8.6109 124.4618 57.7814 39.4651 174.5466 87 A 4.0927 8.4934 129.2478 51.5262 20.9118 176.8532 88 G 3.5182 5.3800 99.0880 46.1121 0.0000 170.6134 89 A 5.2157 7.7678 120.9281 49.8940 22.0800 175.7468 90 I 4.8583 8.0639 114.5779 59.4803 41.5851 174.2360 91 T 5.3362 8.9320 116.6348 61.4097 70.7707 174.3970 92 H 4.4981 9.6156 124.3327 58.0702 29.2435 175.8517 93 T 4.1214 7.7110 117.3612 65.1202 68.2455 174.5509 94 G 3.8539 9.2743 114.4797 45.1876 0.0000 171.9242 95 A 4.8151 7.7919 121.9299 49.9652 22.0231 176.0900 96 S 4.7715 8.0553 112.5770 57.4936 66.4561 174.6329 97 G 3.7521 8.3368 110.2178 47.5835 0.0000 174.0250 98 N 4.7187 8.6741 121.6145 52.9098 38.7797 174.6702 99 N 4.9407 7.6793 115.3807 53.1529 39.4056 174.4074 100 F 5.3810 8.9179 118.4941 56.0598 42.2846 175.1638 101 V 4.8878 9.1193 113.8305 59.4548 35.6231 175.5903 102 G 4.1460 8.8564 109.0613 45.8043 0.0000 174.1061 103 C 4.9612 8.9907 119.8554 54.8948 42.6870 173.3924 104 S 4.2054 8.6332 115.3929 60.8486 62.3147 175.1735 105 G 4.0200 9.2851 113.6288 45.0168 0.0000 172.7621 106 T 4.6104 8.1057 117.1841 61.7403 70.9856 174.1085 107 N 4.7152 8.4821 122.2119 53.7267 39.7709 174.2181 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 4.46 0.00 3.90 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 3 A 8.42 4.22 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 4 T 9.66 4.66 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 5 T 8.58 5.12 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 6 C 9.41 5.15 0.00 3.15 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 G 9.38 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 S 9.25 4.63 0.00 3.81 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 9 T 8.13 4.00 4.16 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 0.56 0.00 0.00 10 N 8.35 5.12 0.00 2.50 2.71 0.00 0.00 6.96 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 Y 9.10 5.02 0.00 2.89 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 12 S 9.16 4.55 0.00 3.92 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 13 A 8.64 3.97 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 14 S 7.97 4.04 0.00 4.04 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 0.00 15 Q 8.09 4.01 0.00 2.45 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.85 0.00 0.00 0.00 0.00 0.00 2.46 2.42 0.00 16 V 7.70 3.44 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 0.67 0.00 0.00 0.94 0.00 0.00 17 R 8.00 3.71 0.00 1.93 1.88 0.00 3.13 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 1.51 1.78 0.00 18 A 8.05 3.93 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 19 A 7.97 4.01 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 20 A 8.23 3.90 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 21 N 8.66 4.11 0.00 2.78 2.95 0.00 0.00 7.10 8.06 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 22 A 8.00 3.79 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 23 A 7.45 3.18 1.15 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 24 C 7.98 4.20 0.00 3.01 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 25 Q 8.01 3.88 0.00 1.98 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.58 0.00 0.00 0.00 0.00 0.00 2.51 2.42 0.00 26 Y 7.88 4.02 0.00 3.09 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 8.71 4.28 0.00 3.08 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 28 Q 8.35 3.83 0.00 2.27 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.74 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 29 N 7.78 4.58 0.00 2.80 2.81 0.00 0.00 7.06 8.08 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 30 D 7.68 4.31 0.00 2.71 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 D 8.07 5.43 0.00 3.02 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 32 T 8.41 4.86 4.42 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 1.31 0.00 0.00 33 A 8.73 4.00 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 34 G 9.12 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.75 4.63 0.00 3.99 3.95 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 36 S 7.66 4.69 0.00 4.25 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 0.00 37 T 8.08 4.46 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 1.12 0.00 0.00 38 Y 7.49 5.06 0.00 2.81 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 39 P 0.00 5.58 0.00 2.43 2.32 0.00 3.70 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.07 0.00 40 H 8.59 5.21 0.00 3.24 3.62 0.00 5.67 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 T 8.76 4.35 4.31 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 1.21 0.00 0.00 42 Y 8.48 4.67 0.00 2.97 2.96 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 43 N 8.19 4.05 0.00 1.44 2.00 0.00 0.00 7.11 8.00 0.00 0.00 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 N 5.88 4.01 0.00 3.14 2.87 0.00 0.00 7.24 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 45 Y 7.25 4.34 0.00 3.07 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 46 E 8.23 3.94 0.00 1.47 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 2.49 2.38 0.00 47 G 7.53 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 F 8.21 4.14 0.00 1.72 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 0.00 0.00 0.00 0.00 49 D 8.56 4.63 0.00 2.59 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 50 F 7.41 4.52 0.00 3.13 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 51 P 0.00 4.34 0.00 2.07 2.13 0.00 3.70 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.14 0.00 52 V 7.17 4.60 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 0.74 0.00 0.00 1.03 0.00 0.00 53 D 8.56 4.75 0.00 2.64 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 54 G 7.75 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 P 0.00 4.15 0.00 1.99 2.07 0.00 3.49 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 1.96 1.92 0.00 56 Y 8.18 5.31 0.00 3.19 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 57 Q 8.97 5.15 0.00 1.79 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.76 0.00 0.00 0.00 0.00 0.00 1.97 1.81 0.00 58 E 9.06 5.00 0.00 1.74 1.73 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 2.26 2.26 0.00 59 F 8.67 4.65 0.00 3.07 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 60 P 0.00 4.08 0.00 0.97 1.37 0.00 2.20 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 61 I 7.69 4.69 1.61 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.68 0.36 0.00 0.00 62 K 8.17 4.83 0.00 1.95 1.79 0.00 1.35 0.00 0.00 2.52 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.62 7.81 63 S 8.57 4.42 0.00 3.91 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 64 G 8.60 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 65 G 7.93 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 *67 V 7.80 4.00 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 1.20 0.00 0.00 1.01 0.00 0.00 68 Y 8.71 4.17 0.00 2.80 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 T 8.66 4.34 4.09 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 1.20 0.00 0.00 70 G 7.25 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 71 G 8.12 3.78 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 0.00 0.00 0.00 72 S 8.58 4.26 0.00 3.90 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 73 P 0.00 4.12 0.00 1.78 1.68 0.00 3.92 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.13 0.00 74 G 8.04 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 A 8.46 4.44 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 76 D 8.04 5.31 0.00 2.74 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.60 4.85 0.00 1.25 1.38 0.00 3.06 0.00 0.00 2.77 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 78 V 9.27 4.59 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 1.00 0.00 0.00 79 V 8.48 4.61 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 0.46 0.00 0.00 0.08 0.00 0.00 80 I 8.33 5.04 1.89 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.42 0.93 0.00 0.00 81 N 8.74 5.42 0.00 2.79 3.01 0.00 0.00 7.14 7.00 0.00 0.00 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 T 8.05 3.60 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 0.88 0.00 0.00 83 N 8.07 4.72 0.00 2.95 2.87 0.00 0.00 7.06 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 84 C 7.97 3.99 0.00 3.17 3.21 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 85 E 8.38 4.62 0.00 2.14 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 2.27 2.23 0.00 86 Y 8.61 4.30 0.00 2.86 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 87 A 8.49 4.09 0.31 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 88 G 5.38 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 A 7.77 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 90 I 8.06 4.86 1.66 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.19 0.06 0.00 0.00 91 T 8.93 5.34 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 92 H 9.62 4.50 0.00 3.16 3.24 0.00 5.67 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 T 7.71 4.12 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 94 G 9.27 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 95 A 7.79 4.82 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 96 S 8.06 4.77 0.00 3.96 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 97 G 8.34 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 98 N 8.67 4.72 0.00 2.68 2.82 0.00 0.00 6.79 8.00 0.00 0.00 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 N 7.68 4.94 0.00 2.85 2.82 0.00 0.00 6.67 7.41 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 0.00 100 F 8.92 5.38 0.00 3.20 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 0.00 101 V 9.12 4.89 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 0.85 0.00 0.00 1.08 0.00 0.00 102 G 8.86 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 0.00 103 C 8.99 4.96 0.00 2.88 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 0.00 104 S 8.63 4.21 0.00 3.96 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 0.00 105 G 9.29 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 T 8.11 4.61 4.38 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 0.90 0.00 0.00 107 N 8.48 4.72 0.00 2.72 2.67 0.00 0.00 7.22 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.