NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3241 8.2493 123.5824 50.9365 19.9362 176.5482 2 P 4.3483 0.0000 0.0000 62.9586 31.5752 174.7576 3 Q 4.4925 8.4287 117.9304 56.1831 30.8805 176.7632 4 N 4.9007 7.4805 114.9655 50.5536 41.3758 174.8443 5 I 3.6659 8.2579 120.1441 64.4103 37.9666 178.0364 6 T 3.8385 7.8538 116.2469 66.5701 68.1982 176.3221 7 E 3.9569 8.8054 119.5777 59.2510 29.8264 178.8709 8 L 4.1378 7.8539 120.2253 58.5057 42.3444 178.2916 9 C 4.3233 8.3665 118.3818 59.7268 43.3534 175.3575 10 S 4.0997 8.0195 115.1227 60.4040 62.5003 175.3722 11 E 4.1126 7.9656 119.9941 56.3311 29.7884 175.7396 12 Y 4.7464 7.0328 116.1399 56.0872 40.8429 175.2395 13 H 4.6355 8.7550 119.5564 56.9041 29.8484 174.9056 14 N 4.4305 9.0624 118.2225 54.8000 35.6082 173.7574 15 T 5.7247 8.1634 106.4765 59.5088 72.0842 172.3810 16 Q 4.5971 8.2499 118.4102 55.3233 32.4535 172.8338 17 I 4.7866 8.0853 120.3696 60.0436 38.9491 174.8040 18 Y 4.3367 8.8742 125.2340 56.8306 39.8607 174.9137 19 T 4.4615 8.5366 121.4632 62.9587 68.8099 174.2161 20 I 3.9002 8.7984 127.7350 62.3232 38.1383 177.3506 21 N 4.1689 7.7951 115.6814 53.3161 36.1162 173.2359 22 D 4.6802 7.7713 114.8615 52.8063 45.0425 174.5759 23 K 4.9765 8.3614 122.6350 55.8417 33.5174 176.6734 24 I 3.4748 8.1715 121.1493 61.2912 37.7298 176.1036 25 L 4.4476 8.5004 128.5745 57.4769 42.6974 177.0189 26 S 4.6239 7.6936 112.3161 56.5210 66.8521 172.2757 27 Y 4.8344 7.7352 121.7623 56.0481 41.2030 174.5538 28 T 4.5705 8.0099 122.8063 61.4827 72.1807 172.8198 29 E 4.9532 8.4682 122.4138 54.5916 33.1243 174.6082 30 S 4.7997 8.7803 115.6122 56.4091 66.0122 174.0900 31 L 4.6519 8.4907 123.7946 55.1526 41.0656 176.3325 32 A 4.0910 8.0519 124.0255 51.7262 18.8699 177.7699 33 G 3.8523 8.5597 111.0396 47.1634 0.0000 173.8627 34 K 4.0534 8.7472 121.1506 56.9281 30.5935 176.2522 35 R 4.6857 8.0677 117.8625 55.8464 31.1711 176.9494 36 E 4.9356 8.2823 118.8808 54.9453 29.1965 176.1632 37 M 5.1471 8.1050 120.1482 53.5599 35.6020 173.6408 38 A 5.0550 8.4365 120.4630 50.1707 22.7911 175.2631 39 I 5.0550 8.3272 120.5552 59.3685 41.1527 174.7577 40 I 5.0336 9.0034 119.7922 59.2499 41.0160 174.3360 41 T 5.1385 8.1590 112.2378 60.0596 72.6714 172.4217 42 F 5.1739 8.7958 122.1815 55.8774 42.6188 177.2634 43 K 3.9714 9.2395 122.3833 57.8501 31.4799 178.6263 44 N 4.6683 8.2821 112.4186 53.4517 37.2328 175.9076 45 G 3.8661 8.3593 107.0453 45.2562 0.0000 173.6658 46 A 4.0297 8.2824 122.3770 51.6371 19.8649 176.9176 47 T 4.8112 7.5784 117.2583 61.6657 71.7014 173.5345 48 F 5.3303 9.1026 123.9902 55.7281 43.6828 173.7982 49 Q 5.1619 9.1207 119.1315 54.5187 32.1215 174.4185 50 V 4.2977 8.4243 120.7487 61.2185 32.8701 175.2255 51 E 4.4072 8.8923 127.5359 55.6767 30.2635 177.2141 52 V 3.9664 8.2413 122.3067 61.8608 32.3594 173.9850 53 P 4.4399 0.0000 0.0000 63.1578 31.6037 175.4840 54 G 3.7568 8.8466 110.3640 47.0896 0.0000 172.3364 *57 H 4.8720 8.0107 117.3000 56.0031 31.3035 173.3904 58 I 4.4024 8.3276 125.5089 60.7920 33.2962 179.2222 59 D 4.9103 9.0859 118.5052 53.4633 41.4519 177.1765 60 S 4.6868 7.9552 110.4335 59.8965 64.5279 176.3750 61 Q 4.3571 8.2111 122.8430 59.1195 28.3201 178.9186 62 K 3.9727 8.2202 127.0482 60.4818 31.6372 182.9245 63 K 4.1482 8.1174 124.4822 59.6962 31.5673 180.6441 64 A 4.2170 7.4823 122.3098 54.7793 18.2202 179.8043 65 I 3.6561 8.1805 118.8729 64.6666 37.2160 178.4745 66 E 3.9862 8.1698 119.3581 59.3965 29.2563 179.3898 67 R 3.8855 8.3111 119.0444 59.6085 30.0643 178.1538 68 M 4.0371 8.2408 118.0269 58.6660 32.2006 178.4247 69 K 4.0933 7.9837 118.2925 59.4923 32.2645 178.8745 70 D 4.3920 8.0862 119.1955 57.9015 40.7431 179.2534 71 T 3.8961 8.0054 115.9641 66.6128 68.4006 176.8607 72 L 4.0700 8.2228 121.1070 57.6097 41.6291 179.3652 73 R 2.8923 7.8991 118.6556 59.3328 29.9595 178.4819 74 I 3.6144 7.7652 118.0202 63.6845 37.9336 177.4117 75 A 3.9864 8.3746 122.2994 55.4356 18.2310 179.0043 76 Y 3.9505 8.1272 117.7505 60.9910 38.7407 178.2560 77 L 3.8000 7.9113 118.6959 57.2115 41.7790 178.6288 78 T 4.2246 7.7571 106.9066 60.5239 69.4314 174.2937 79 E 3.6224 7.8017 119.7189 57.2677 27.7404 174.5075 80 A 4.1402 7.9228 120.6235 51.6644 19.4276 177.9499 81 K 4.1068 8.7306 124.6630 56.4973 33.7290 175.7000 82 V 4.0313 8.7643 128.5932 62.6755 32.4822 175.4371 83 E 4.3077 9.5735 130.5971 57.9936 30.0707 175.6503 84 K 5.1488 8.2221 117.5983 54.4854 37.1268 174.6782 85 L 4.9852 8.6877 121.8545 53.0670 45.4859 174.6720 86 C 4.9803 9.0085 124.1455 55.2923 44.6279 172.7479 87 V 4.9069 8.4154 119.1301 59.0485 35.8375 175.0037 88 W 4.9728 9.2041 124.7820 56.6789 29.8934 176.3967 89 N 5.4125 9.8838 121.8756 51.5418 37.7618 174.7441 90 N 5.0091 8.1832 115.7797 52.9747 37.8391 174.7055 91 K 4.7359 7.8699 116.3184 55.8521 36.2846 175.2891 92 T 4.8847 8.2029 114.5639 59.5348 69.9788 172.0033 93 P 4.4736 0.0000 0.0000 62.4332 32.3361 175.8523 94 N 4.8127 8.7695 118.4616 53.5919 39.9756 173.7605 95 S 5.0324 8.8539 117.2957 57.2196 64.2443 173.0963 96 I 4.1197 8.7571 128.9619 61.4979 36.6917 175.6227 97 A 4.1653 8.5538 129.6001 53.4719 19.9818 176.8778 98 A 4.5353 7.1831 114.1118 51.0309 22.6880 175.3024 99 I 5.0667 8.1783 119.1324 59.1717 41.5610 174.5203 100 S 4.8930 9.1070 122.6112 56.7630 66.1923 172.6424 101 M 5.2080 8.4793 120.5294 53.6442 35.1725 175.4371 102 A 4.1158 8.1861 124.9432 52.7890 19.6128 175.8275 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 A 8.25 4.32 1.28 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 0.00 0.00 0.00 2 P 0.00 4.35 0.00 2.28 2.08 0.00 3.75 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 2.01 2.17 0.00 3 Q 8.43 4.49 0.00 2.06 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.68 0.00 0.00 0.00 0.00 0.00 2.30 2.40 0.00 4 N 7.48 4.90 0.00 2.92 2.86 0.00 0.00 5.87 7.74 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 5 I 8.26 3.67 1.83 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.25 0.87 0.00 0.00 6 T 7.85 3.84 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 1.19 0.00 0.00 7 E 8.81 3.96 0.00 2.02 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 2.34 2.50 0.00 8 L 7.85 4.14 0.00 1.87 1.86 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 9 C 8.37 4.32 0.00 3.19 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 10 S 8.02 4.10 0.00 4.08 3.90 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 0.00 0.00 0.00 0.00 11 E 7.97 4.11 0.00 1.68 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.61 0.00 12 Y 7.03 4.75 0.00 2.95 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 13 H 8.76 4.64 0.00 3.31 3.30 0.00 5.81 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 N 9.06 4.43 0.00 3.20 3.11 0.00 0.00 6.59 7.05 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 15 T 8.16 5.72 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 0.92 0.00 0.00 16 Q 8.25 4.60 0.00 2.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.93 0.00 0.00 0.00 0.00 0.00 2.41 2.19 0.00 17 I 8.09 4.79 1.79 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 1.28 0.83 0.85 0.00 0.00 18 Y 8.87 4.34 0.00 2.85 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 19 T 8.54 4.46 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 1.18 0.00 0.00 20 I 8.80 3.90 1.54 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 1.18 0.19 0.12 0.00 0.00 21 N 7.80 4.17 0.00 2.80 2.83 0.00 0.00 6.62 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 D 7.77 4.68 0.00 2.90 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 23 K 8.36 4.98 0.00 1.94 1.96 0.00 1.21 0.00 0.00 0.61 0.00 0.00 2.81 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.47 1.49 7.81 24 I 8.17 3.47 2.08 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.69 0.90 0.00 0.00 25 L 8.50 4.45 0.00 1.66 1.82 0.96 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 26 S 7.69 4.62 0.00 3.84 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 27 Y 7.74 4.83 0.00 2.43 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 0.00 0.00 0.00 28 T 8.01 4.57 3.98 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 1.06 0.00 0.00 29 E 8.47 4.95 0.00 1.87 1.68 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 2.26 2.30 0.00 30 S 8.78 4.80 0.00 3.84 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.49 4.65 0.00 1.74 1.72 0.92 0.48 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 32 A 8.05 4.09 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 33 G 8.56 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 34 K 8.75 4.05 0.00 1.97 1.97 0.00 1.64 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.35 1.39 7.81 35 R 8.07 4.69 0.00 1.82 1.84 0.00 3.30 0.00 0.00 3.21 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.68 0.00 36 E 8.28 4.94 0.00 1.97 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 0.00 2.38 2.20 0.00 37 M 8.10 5.15 0.00 2.01 2.18 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.66 0.00 38 A 8.44 5.05 1.14 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 39 I 8.33 5.06 1.71 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.61 0.89 0.00 0.00 40 I 9.00 5.03 1.69 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.93 1.00 0.00 0.00 41 T 8.16 5.14 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 1.10 0.00 0.00 42 F 8.80 5.17 0.00 3.28 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 43 K 9.24 3.97 0.00 1.77 1.75 0.00 1.80 0.00 0.00 1.76 0.00 0.00 2.89 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.37 1.02 7.81 44 N 8.28 4.67 0.00 2.88 3.01 0.00 0.00 6.20 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 45 G 8.36 3.87 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 0.00 0.00 0.00 46 A 8.28 4.03 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.58 4.81 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 1.09 0.00 0.00 48 F 9.10 5.33 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 49 Q 9.12 5.16 0.00 2.19 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.78 0.00 0.00 0.00 0.00 0.00 2.59 2.36 0.00 50 V 8.42 4.30 2.12 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 0.99 0.00 0.00 1.00 0.00 0.00 51 E 8.89 4.41 0.00 1.97 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 2.34 2.24 0.00 52 V 8.24 3.97 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 1.06 0.00 0.00 1.04 0.00 0.00 53 P 0.00 4.44 0.00 2.10 2.01 0.00 3.68 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 2.03 2.08 0.00 54 G 8.85 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 *57 H 8.01 4.87 0.00 3.17 3.26 0.00 5.71 0.00 0.00 0.00 0.00 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 I 8.33 4.40 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 1.16 0.65 0.91 0.00 0.00 59 D 9.09 4.91 0.00 2.62 2.52 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 60 S 7.96 4.69 0.00 4.00 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 61 Q 8.21 4.36 0.00 2.15 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.91 0.00 0.00 0.00 0.00 0.00 2.50 2.48 0.00 62 K 8.22 3.97 0.00 1.76 1.83 0.00 1.80 0.00 0.00 1.85 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.09 7.81 63 K 8.12 4.15 0.00 1.75 1.86 0.00 1.76 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.45 1.09 7.81 64 A 7.48 4.22 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 65 I 8.18 3.66 1.98 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.34 0.90 0.00 0.00 66 E 8.17 3.99 0.00 2.16 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 2.58 2.47 0.00 67 R 8.31 3.89 0.00 1.87 2.09 0.00 3.11 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 68 M 8.24 4.04 0.00 2.32 2.07 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 2.64 2.66 0.00 69 K 7.98 4.09 0.00 2.02 1.95 0.00 1.78 0.00 0.00 1.67 0.00 0.00 3.11 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.65 7.81 70 D 8.09 4.39 0.00 2.94 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 71 T 8.01 3.90 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 1.23 0.00 0.00 72 L 8.22 4.07 0.00 1.91 1.93 1.03 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 73 R 7.90 2.89 0.00 1.44 1.87 0.00 3.01 0.00 0.00 3.00 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.09 0.00 74 I 7.77 3.61 1.83 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.03 0.99 0.00 0.00 75 A 8.37 3.99 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 0.00 0.00 76 Y 8.13 3.95 0.00 3.12 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 77 L 7.91 3.80 0.00 1.60 1.66 0.89 0.83 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 78 T 7.76 4.22 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 1.21 0.00 0.00 79 E 7.80 3.62 0.00 2.10 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 2.07 2.08 0.00 80 A 7.92 4.14 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 81 K 8.73 4.11 0.00 1.88 1.72 0.00 1.79 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.52 1.47 7.81 82 V 8.76 4.03 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 0.84 0.00 0.00 1.23 0.00 0.00 83 E 9.57 4.31 0.00 2.02 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 2.24 2.38 0.00 84 K 8.22 5.15 0.00 1.59 1.55 0.00 1.62 0.00 0.00 1.60 0.00 0.00 2.77 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.29 1.34 7.81 85 L 8.69 4.99 0.00 1.10 1.09 0.46 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 86 C 9.01 4.98 0.00 2.82 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 87 V 8.42 4.91 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 0.42 0.00 0.00 1.25 0.00 0.00 88 W 9.20 4.97 0.00 3.40 3.22 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 89 N 9.88 5.41 0.00 2.77 3.15 0.00 0.00 6.88 7.92 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 90 N 8.18 5.01 0.00 2.89 3.01 0.00 0.00 5.91 7.13 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 91 K 7.87 4.74 0.00 1.98 1.72 0.00 1.72 0.00 0.00 1.73 0.00 0.00 2.72 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.46 7.81 92 T 8.20 4.88 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 1.22 0.00 0.00 93 P 0.00 4.47 0.00 2.06 1.94 0.00 3.75 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.07 0.00 94 N 8.77 4.81 0.00 2.97 3.09 0.00 0.00 7.19 7.57 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 95 S 8.85 5.03 0.00 4.14 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 96 I 8.76 4.12 1.91 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 0.97 0.69 0.85 0.00 0.00 97 A 8.55 4.17 -0.11 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 98 A 7.18 4.54 1.08 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 99 I 8.18 5.07 1.84 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 1.40 0.97 0.90 0.00 0.00 100 S 9.11 4.89 0.00 3.85 3.87 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 0.00 101 M 8.48 5.21 0.00 1.88 1.97 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.53 0.00 102 A 8.19 4.12 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 * Residues marked with a * may have inaccurate shift predictions.