NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 5.1365 8.1633 120.7142 55.2101 33.9283 173.9260 2 R 4.9144 8.9303 121.4966 51.7739 34.4156 169.4381 3 V 4.9626 8.6195 122.1917 59.9513 35.5336 174.0699 4 V 4.8198 9.2981 124.4217 61.6136 33.4622 174.2772 5 I 5.0131 8.8118 128.9234 59.6976 39.8249 174.5281 6 Q 5.7469 9.0648 126.0493 53.1295 32.3550 174.7274 7 R 4.7469 8.5047 123.7226 56.0154 31.5132 175.3630 8 V 5.0214 9.1590 119.3999 59.7975 35.3198 176.5642 9 K 4.1043 8.8323 122.8751 57.6180 32.9366 177.1198 10 G 4.6296 7.5397 104.6520 45.1846 0.0000 172.3153 11 A 5.3257 8.4098 122.5310 50.1290 23.2668 175.2008 12 I 4.8951 8.8424 121.7245 59.3148 40.9779 174.2275 13 L 4.9573 8.8835 129.0129 53.5148 44.9054 175.6665 14 S 5.7290 8.6974 122.2943 56.4268 66.0555 174.4742 15 V 4.4309 8.0433 109.9855 61.7382 34.6863 176.3691 *27 L 4.4359 7.7548 117.3254 54.8477 43.2867 176.5072 28 E 4.6406 8.3517 121.6198 54.6801 33.1368 174.1957 29 I 4.3044 8.6559 127.9108 62.2626 37.1507 175.9087 30 I 4.6096 8.5053 116.7033 60.6900 39.4700 175.3604 31 S 4.7497 7.6188 115.2168 57.5673 67.4158 172.7550 32 E 5.2237 8.3573 121.2967 55.3487 32.4441 174.0652 33 I 5.1066 8.9805 119.2872 57.0956 42.0389 177.7484 34 K 4.4971 8.8111 120.9362 56.1161 31.0616 179.8793 35 N 4.6639 8.7236 127.1856 52.9214 39.4712 174.5148 36 G 4.1891 7.1623 109.5382 46.0158 0.0000 170.8611 37 L 5.3078 8.5517 122.6990 52.9611 45.0683 175.7451 38 I 4.5325 8.4777 123.8262 60.0413 40.1473 174.1523 39 C 5.0723 9.0435 126.2123 58.0830 31.4171 173.2223 40 F 5.0625 9.4970 124.7789 56.2116 39.5920 174.7395 41 L 5.1814 9.3025 127.3669 53.0411 44.9324 175.1681 42 G 4.6693 9.4124 113.6841 44.6371 0.0000 171.9577 43 I 5.0244 8.8437 126.7287 61.0564 39.1396 174.6644 44 H 3.9516 10.8704 129.4424 54.9576 31.1031 176.6262 45 K 3.7221 7.9868 125.9305 57.2560 31.5052 178.0173 46 N 5.0302 7.9002 113.3335 52.9724 39.1475 174.0518 47 D 5.3883 8.1408 118.6117 54.0091 41.7883 176.9045 48 T 4.6288 8.4045 114.3222 60.5402 71.6074 174.5311 49 W 4.8435 8.8834 128.6898 60.3292 30.6647 178.7284 50 E 3.9749 8.2934 118.6038 59.4942 28.9873 178.5506 51 D 4.3237 8.2014 118.1860 57.5238 40.9764 178.0585 52 A 3.8832 7.6788 119.5989 55.5126 18.3028 179.3994 53 L 3.4203 7.7829 116.7710 57.9581 41.6064 179.4274 54 Y 3.8563 8.3658 119.5932 60.5791 38.6822 178.0554 55 I 3.7700 7.9201 120.6461 64.5026 37.3311 178.2828 56 I 3.0665 7.7323 120.7294 64.2131 36.4948 178.0553 57 R 3.6747 7.9823 119.6925 59.7934 29.7700 178.5325 58 K 3.8930 7.9961 117.9973 59.4622 31.7309 179.2980 59 C 4.2063 8.0322 116.3558 62.8104 27.2152 175.7152 60 L 4.2316 8.0066 119.1854 56.0936 41.1825 177.8034 61 N 4.9611 7.3531 112.4053 52.3854 40.3294 174.8881 62 L 4.0395 8.0303 120.0605 55.0334 42.1469 176.8664 63 R 4.7512 8.4303 122.8797 55.0934 28.8551 176.3800 64 L 4.9344 8.2432 118.7418 53.9949 42.8361 176.5141 65 W 4.7377 8.0912 118.8603 54.5316 32.0514 175.0943 66 N 4.7554 8.3641 117.9314 53.2202 38.9081 174.7517 67 N 4.7552 9.2881 119.2913 53.6788 42.5213 174.4873 68 D 4.3093 8.5449 125.8244 53.4965 41.6760 174.6709 69 N 4.3411 9.2311 114.9463 56.2474 38.6057 175.4675 70 K 4.0845 7.9826 117.6865 56.7183 32.6395 176.5042 71 T 4.4845 7.9517 111.1851 59.9387 71.5880 174.1686 72 W 4.2357 6.6649 118.8640 57.4382 26.7339 174.8179 73 D 4.9994 8.8832 119.5420 54.3937 43.6211 176.9986 74 K 5.0311 8.1693 116.5488 54.4404 36.5758 175.3848 75 N 5.6917 10.3301 121.9421 50.4732 39.9835 176.0811 76 V 3.4593 9.0266 119.8537 65.2812 30.9181 178.5284 77 K 3.4345 7.3757 116.0854 59.1287 31.6918 178.6526 78 D 4.3919 8.3691 117.9594 57.6143 40.8653 178.7616 79 L 3.9583 7.1119 115.5859 53.2560 42.0354 176.5761 80 N 4.7876 7.7990 115.0612 53.3547 36.6878 173.3573 81 Y 4.9018 7.7499 115.1430 57.4982 40.2520 175.5631 82 E 5.0979 8.9471 118.7444 54.9447 33.0303 175.5074 83 L 4.9515 8.6889 121.8872 52.9071 44.9178 175.1668 84 L 4.9444 9.0816 126.7314 53.5583 43.5432 174.8028 85 I 4.6815 8.3708 128.0883 59.6431 39.4542 175.1333 86 V 4.6932 8.9209 126.5151 60.8521 34.7935 174.3503 87 S 4.8285 8.9442 123.0250 58.6276 63.0595 173.4849 88 Q 4.4859 10.2541 129.6316 53.7623 29.5115 175.4598 89 F 4.5608 8.2862 120.4913 58.8813 38.4157 177.4473 90 T 4.3181 7.0012 109.7051 62.3392 68.7274 175.1786 91 L 4.1728 7.6930 121.9559 56.5230 42.2354 177.2435 92 F 4.9788 8.1966 118.7616 57.1294 39.8795 176.4960 93 G 4.1484 8.0814 109.2330 43.2951 0.0000 173.2541 94 N 4.1343 8.0319 118.0152 55.0572 39.3968 174.5549 95 T 4.7793 8.5117 114.9779 61.4692 70.2241 175.9467 96 K 3.6653 8.2525 127.6365 58.1196 31.5994 181.6289 97 K 4.3758 7.4646 119.0574 54.4275 33.4834 178.9826 98 G 4.1693 8.6806 110.6735 45.1805 0.0000 172.0119 99 N 4.3716 8.5860 120.7495 56.0395 38.9827 176.9149 100 K 3.9668 7.9051 120.2596 53.6863 31.9431 177.7154 101 P 4.8673 0.0000 0.0000 59.5940 31.3066 175.4071 102 D 4.2402 8.1816 123.7414 52.8801 40.5565 176.7624 103 F 5.6535 8.1014 121.5752 56.3923 39.9544 177.7213 104 H 4.2840 8.2827 119.3715 59.3045 28.8683 177.6350 105 L 3.9581 8.0983 117.5031 56.7514 41.6637 176.9511 106 A 4.2655 7.5418 120.1017 51.4273 19.1921 176.9000 107 K 4.2427 7.7479 119.9863 55.2536 33.8907 176.0896 108 E 4.0179 8.8964 126.3079 56.7067 30.2632 176.1022 109 P 4.3284 0.0000 0.0000 65.6959 31.2965 178.0230 110 N 4.4135 8.1292 115.0098 56.1157 38.3706 177.5089 111 E 3.7938 8.8568 120.3293 59.4351 29.7413 178.7902 112 A 4.1417 8.1710 120.2422 55.3858 18.1502 179.0795 113 L 2.5442 7.7497 118.4205 58.1659 41.6532 179.2902 114 I 3.7441 7.2437 117.7691 63.4716 37.9632 177.7238 115 F 4.1212 8.2056 122.0303 61.5755 39.3102 176.3755 116 Y 4.2131 8.7676 119.5526 60.9966 38.3536 177.9072 117 N 4.5085 8.2350 117.3051 55.7534 38.6745 177.6290 118 K 4.0134 7.6475 120.0891 59.2157 32.2118 179.3128 119 I 3.6905 7.6354 119.7496 64.6202 36.6843 178.5945 120 I 3.9964 7.8738 120.0354 63.9356 36.7284 178.2390 121 D 4.4346 7.8141 120.5663 57.1666 40.7346 178.1414 122 E 4.0569 8.5291 119.6704 59.1500 29.6036 178.1196 123 F 4.1501 8.2415 118.1568 59.6465 38.6940 177.3026 124 K 4.1191 7.9873 118.5278 59.7799 32.2045 178.6854 125 K 4.0710 8.0629 118.0510 59.9919 32.2841 178.6665 126 Q 4.1732 8.5447 117.2948 56.1545 29.1924 177.0925 127 Y 4.8358 9.2534 116.0925 56.5337 39.2396 177.5446 128 N 5.1282 8.2556 114.1592 51.3155 42.1779 173.3879 129 D 4.3854 8.8207 124.4567 57.2583 41.4086 177.1676 130 D 4.4678 7.7646 117.0725 56.0274 41.7471 177.0010 131 K 4.1552 7.9604 116.5080 56.7402 32.3970 175.7202 132 I 4.7992 7.4942 120.4849 59.7220 38.4261 174.9992 133 K 4.7572 8.8526 127.4724 54.5445 34.8530 175.7608 134 I 5.1605 7.7842 115.8763 58.3381 40.9116 173.9058 135 G 4.1739 8.2415 111.2252 44.6971 0.0000 174.8168 136 K 4.3961 8.4548 121.2938 52.9244 30.6274 175.3164 137 F 3.9196 8.4981 127.0563 59.2000 39.7448 174.1996 138 G 4.2409 8.0266 115.3772 45.5672 0.0000 173.7797 139 N 4.6923 7.3957 114.8694 52.0239 39.9192 174.2842 140 Y 4.2227 8.5510 122.2871 57.9768 39.2653 174.3604 141 M 5.1273 7.8837 126.2395 52.7319 35.1403 175.3829 142 N 4.6038 8.2527 120.0551 52.0223 41.1589 172.6648 143 I 4.8643 8.0896 126.9547 59.4914 39.0900 175.1990 144 D 4.6773 9.3891 128.6910 53.7916 42.2542 176.0429 145 V 4.5956 8.1943 122.2492 61.5959 34.5523 175.1127 146 T 4.3501 8.6770 126.4085 62.5607 68.7813 173.8970 147 N 4.8837 8.6643 124.5231 53.0422 39.3695 175.8960 148 D 4.5599 10.3877 125.4364 50.5029 38.9095 174.9504 149 G 4.1976 8.1170 118.0793 45.1641 0.0000 169.7080 150 P 4.4538 0.0000 0.0000 61.3980 32.7872 175.2587 151 V 4.4942 8.1515 117.6940 61.4200 34.2600 174.0387 152 T 5.2522 8.6337 123.7111 61.8847 71.5617 173.2208 153 I 4.5633 8.7814 127.1596 59.5106 40.3844 173.8359 154 Y 5.1618 8.6505 127.1142 55.9174 41.1156 174.7292 155 I 4.3619 7.7601 125.7740 59.3876 41.8765 173.5889 156 D 5.1099 8.1297 126.2001 52.2874 43.0242 176.2550 157 T 3.6294 8.7418 117.8369 63.8687 68.7292 174.6758 158 H 4.6993 8.2186 118.3219 56.1629 29.2202 174.9869 159 D 4.5189 7.7401 125.0928 54.3820 40.7809 176.1859 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 1 M 8.16 5.14 0.00 1.73 2.02 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.15 0.00 2 R 8.93 4.91 0.00 1.42 1.64 0.00 2.37 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.47 0.00 3 V 8.62 4.96 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 0.69 0.00 0.00 1.04 0.00 0.00 4 V 9.30 4.82 2.27 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 0.89 0.00 0.00 1.05 0.00 0.00 5 I 8.81 5.01 1.89 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 1.26 0.57 0.91 0.00 0.00 6 Q 9.06 5.75 0.00 2.12 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.98 0.00 0.00 0.00 0.00 0.00 2.32 2.22 0.00 7 R 8.50 4.75 0.00 1.76 1.76 0.00 2.21 0.00 0.00 2.72 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.22 0.00 8 V 9.16 5.02 2.27 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 0.82 0.00 0.00 1.00 0.00 0.00 9 K 8.83 4.10 0.00 1.65 1.83 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.81 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.61 1.41 7.81 10 G 7.54 4.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.41 5.33 1.20 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 0.00 0.00 12 I 8.84 4.90 1.87 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 1.10 0.92 0.90 0.00 0.00 13 L 8.88 4.96 0.00 1.66 1.62 0.89 0.55 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 14 S 8.70 5.73 0.00 3.85 3.74 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 15 V 8.04 4.43 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 1.10 0.00 0.00 0.99 0.00 0.00 *27 L 7.75 4.44 0.00 1.58 1.66 0.95 1.06 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 28 E 8.35 4.64 0.00 2.01 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 2.28 2.35 0.00 29 I 8.66 4.30 1.87 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 1.40 0.65 0.91 0.00 0.00 30 I 8.51 4.61 1.88 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 1.30 0.66 0.95 0.00 0.00 31 S 7.62 4.75 0.00 3.78 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 32 E 8.36 5.22 0.00 1.92 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 2.27 2.28 0.00 33 I 8.98 5.11 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.75 0.89 0.00 0.00 34 K 8.81 4.50 0.00 1.88 0.80 0.00 1.65 0.00 0.00 1.62 0.00 0.00 3.08 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.50 7.81 35 N 8.72 4.66 0.00 1.88 1.42 0.00 0.00 6.66 7.58 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 36 G 7.16 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 37 L 8.55 5.31 0.00 1.62 1.58 1.04 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.00 0.00 38 I 8.48 4.53 1.79 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 1.49 0.98 0.00 0.00 39 C 9.04 5.07 0.00 2.68 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 40 F 9.50 5.06 0.00 2.96 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 41 L 9.30 5.18 0.00 1.85 1.70 1.15 1.04 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 42 G 9.41 4.67 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 43 I 8.84 5.02 2.11 0.00 0.00 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 1.70 1.25 0.97 0.00 0.00 44 H 10.87 3.95 0.00 3.11 3.51 0.00 5.61 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 K 7.99 3.72 0.00 1.78 1.75 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.40 1.32 7.81 46 N 7.90 5.03 0.00 2.76 2.83 0.00 0.00 6.94 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 47 D 8.14 5.39 0.00 2.60 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 48 T 8.40 4.63 4.59 0.00 0.00 0.00 0.00 0.00 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 49 W 8.88 4.84 0.00 3.39 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 50 E 8.29 3.97 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 2.49 2.40 0.00 51 D 8.20 4.32 0.00 2.99 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 52 A 7.68 3.88 1.01 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 0.00 0.00 53 L 7.78 3.42 0.00 1.40 1.46 0.68 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 54 Y 8.37 3.86 0.00 3.06 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 55 I 7.92 3.77 2.03 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.76 0.99 0.00 0.00 56 I 7.73 3.07 1.32 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.19 0.52 -0.11 0.00 0.00 57 R 7.98 3.67 0.00 1.77 1.79 0.00 2.97 0.00 0.00 3.00 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.55 0.00 58 K 8.00 3.89 0.00 1.87 1.74 0.00 1.56 0.00 0.00 1.36 0.00 0.00 2.43 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.71 1.28 7.81 59 C 8.03 4.21 0.00 3.35 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 60 L 8.01 4.23 0.00 1.66 1.59 0.93 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 61 N 7.35 4.96 0.00 2.77 2.75 0.00 0.00 6.99 7.73 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 62 L 8.03 4.04 0.00 1.76 1.57 0.87 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 63 R 8.43 4.75 0.00 1.97 2.07 0.00 3.13 0.00 0.00 3.38 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.87 0.00 64 L 8.24 4.93 0.00 0.79 1.15 0.75 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 65 W 8.09 4.74 0.00 3.46 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 66 N 8.36 4.76 0.00 2.64 2.79 0.00 0.00 6.65 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 67 N 9.29 4.76 0.00 2.66 2.79 0.00 0.00 7.48 8.45 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 68 D 8.54 4.31 0.00 2.87 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 69 N 9.23 4.34 0.00 2.71 2.95 0.00 0.00 6.96 7.12 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 70 K 7.98 4.08 0.00 1.92 1.74 0.00 1.63 0.00 0.00 2.05 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.39 7.81 71 T 7.95 4.48 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 1.16 0.00 0.00 72 W 6.66 4.24 0.00 3.40 3.42 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 73 D 8.88 5.00 0.00 2.72 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 74 K 8.17 5.03 0.00 1.76 1.61 0.00 1.66 0.00 0.00 1.95 0.00 0.00 2.90 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.43 1.31 7.81 75 N 10.33 5.69 0.00 2.92 3.10 0.00 0.00 6.58 7.55 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 76 V 9.03 3.46 2.44 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 0.80 0.00 0.00 1.08 0.00 0.00 77 K 7.38 3.43 0.00 1.85 1.79 0.00 1.70 0.00 0.00 1.58 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.51 1.04 7.81 78 D 8.37 4.39 0.00 2.68 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 79 L 7.11 3.96 0.00 0.27 0.30 0.11 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 80 N 7.80 4.79 0.00 2.73 2.86 0.00 0.00 6.96 8.10 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 81 Y 7.75 4.90 0.00 2.67 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 82 E 8.95 5.10 0.00 1.93 1.85 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 2.25 2.31 0.00 83 L 8.69 4.95 0.00 1.47 1.31 1.04 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 84 L 9.08 4.94 0.00 1.63 1.43 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 85 I 8.37 4.68 1.76 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.75 0.84 0.00 0.00 86 V 8.92 4.69 1.94 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 1.03 0.00 0.00 0.67 0.00 0.00 87 S 8.94 4.83 0.00 3.84 3.45 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 88 Q 10.25 4.49 0.00 2.36 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.59 0.00 0.00 0.00 0.00 0.00 2.19 2.16 0.00 89 F 8.29 4.56 0.00 3.26 3.29 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 90 T 7.00 4.32 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 0.29 0.00 0.00 91 L 7.69 4.17 0.00 1.41 1.54 1.06 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 92 F 8.20 4.98 0.00 3.29 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 93 G 8.08 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 94 N 8.03 4.13 0.00 2.79 3.07 0.00 0.00 6.54 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 95 T 8.51 4.78 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 1.19 0.00 0.00 96 K 8.25 3.67 0.00 1.83 1.81 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.29 7.81 97 K 7.46 4.38 0.00 1.55 1.60 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.27 1.23 7.81 98 G 8.68 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 0.00 0.00 0.00 99 N 8.59 4.37 0.00 2.71 2.87 0.00 0.00 6.86 7.61 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 0.00 100 K 7.91 3.97 0.00 1.77 1.62 0.00 1.80 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.36 1.00 7.81 101 P 0.00 4.87 0.00 1.60 1.98 0.00 3.26 0.00 0.00 4.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.92 0.00 102 D 8.18 4.24 0.00 2.60 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 0.00 103 F 8.10 5.65 0.00 3.20 3.25 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 0.00 104 H 8.28 4.28 0.00 3.33 3.37 0.00 5.66 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 8.10 3.96 0.00 1.86 1.73 1.13 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 106 A 7.54 4.27 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 0.00 107 K 7.75 4.24 0.00 1.83 1.72 0.00 1.57 0.00 0.00 1.56 0.00 0.00 2.33 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.24 7.81 108 E 8.90 4.02 0.00 2.04 1.81 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 2.36 2.27 0.00 109 P 0.00 4.33 0.00 2.23 2.11 0.00 3.62 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 110 N 8.13 4.41 0.00 2.91 2.86 0.00 0.00 7.12 7.32 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 0.00 111 E 8.86 3.79 0.00 2.18 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 2.31 0.00 112 A 8.17 4.14 1.57 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 0.00 0.00 113 L 7.75 2.54 0.00 0.92 1.65 0.40 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 114 I 7.24 3.74 1.86 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 1.41 1.07 1.05 0.00 0.00 115 F 8.21 4.12 0.00 3.23 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 0.00 116 Y 8.77 4.21 0.00 3.34 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 0.00 117 N 8.24 4.51 0.00 2.84 2.89 0.00 0.00 6.96 7.08 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 0.00 118 K 7.65 4.01 0.00 1.72 1.51 0.00 1.46 0.00 0.00 0.99 0.00 0.00 2.79 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.23 1.35 7.81 119 I 7.64 3.69 1.94 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.88 0.93 0.00 0.00 120 I 7.87 4.00 1.84 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.87 0.92 0.00 0.00 121 D 7.81 4.43 0.00 2.94 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 0.00 122 E 8.53 4.06 0.00 2.41 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 1.96 2.16 0.00 123 F 8.24 4.15 0.00 3.30 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 0.00 124 K 7.99 4.12 0.00 1.94 1.95 0.00 1.85 0.00 0.00 1.80 0.00 0.00 3.24 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.65 7.81 125 K 8.06 4.07 0.00 1.78 2.01 0.00 1.83 0.00 0.00 1.74 0.00 0.00 3.12 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.52 7.81 126 Q 8.54 4.17 0.00 2.06 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.53 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 127 Y 9.25 4.84 0.00 2.96 2.27 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 0.00 128 N 8.26 5.13 0.00 2.51 1.99 0.00 0.00 6.48 8.49 0.00 0.00 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 8.82 4.39 0.00 2.63 2.70 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 0.00 130 D 7.76 4.47 0.00 2.56 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 0.00 131 K 7.96 4.16 0.00 1.37 1.88 0.00 1.92 0.00 0.00 1.63 0.00 0.00 2.81 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.32 0.99 7.81 132 I 7.49 4.80 1.87 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 1.55 1.03 0.78 0.00 0.00 133 K 8.85 4.76 0.00 1.70 1.67 0.00 1.47 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.39 7.81 134 I 7.78 5.16 2.10 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.27 0.98 0.00 0.00 135 G 8.24 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 0.00 0.00 0.00 136 K 8.45 4.40 0.00 1.70 1.75 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.44 0.99 7.81 137 F 8.50 3.92 0.00 2.64 2.85 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 0.00 138 G 8.03 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 0.00 0.00 0.00 0.00 139 N 7.40 4.69 0.00 2.93 2.79 0.00 0.00 6.99 7.51 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 0.00 140 Y 8.55 4.22 0.00 3.05 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 0.00 141 M 7.88 5.13 0.00 1.78 1.79 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.35 0.00 142 N 8.25 4.60 0.00 2.64 2.60 0.00 0.00 6.90 7.72 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 0.00 143 I 8.09 4.86 1.93 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 1.31 0.71 0.97 0.00 0.00 144 D 9.39 4.68 0.00 2.56 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 V 8.19 4.60 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 0.93 0.00 0.00 1.02 0.00 0.00 146 T 8.68 4.35 4.25 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 1.22 0.00 0.00 147 N 8.66 4.88 0.00 2.63 2.78 0.00 0.00 6.99 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 0.00 148 D 10.39 4.56 0.00 2.69 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 0.00 149 G 8.12 4.20 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 0.00 0.00 0.00 150 P 0.00 4.45 0.00 2.21 2.09 0.00 3.73 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 151 V 8.15 4.49 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 1.07 0.00 0.00 1.08 0.00 0.00 152 T 8.63 5.25 4.25 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 1.24 0.00 0.00 153 I 8.78 4.56 1.85 0.00 0.00 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 1.05 0.92 0.87 0.00 0.00 154 Y 8.65 5.16 0.00 2.88 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 0.00 155 I 7.76 4.36 1.78 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 1.11 0.68 0.99 0.00 0.00 156 D 8.13 5.11 0.00 2.43 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 0.00 157 T 8.74 3.63 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 1.09 0.00 0.00 158 H 8.22 4.70 0.00 3.29 3.33 0.00 5.64 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 D 7.74 4.52 0.00 2.65 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 * Residues marked with a * may have inaccurate shift predictions.