NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 4.7271 8.2827 119.2435 53.0579 40.1234 174.5668 2 L 3.9470 8.3191 127.4634 57.9084 42.3182 177.1189 3 Y 4.1080 9.4255 121.0654 60.6596 39.1787 177.1131 4 Q 3.8336 8.1622 118.5529 58.7961 28.8099 178.2611 5 L 3.8425 8.2074 121.7201 58.2718 41.9876 178.6207 6 M 3.3714 7.2922 117.4852 58.6875 31.8403 178.0937 7 N 4.1825 7.4536 115.7937 56.3176 38.5465 177.2311 8 M 3.9530 7.7124 120.3261 58.3896 32.1586 178.7959 9 I 3.6310 7.6459 119.9981 64.1923 36.9994 178.3607 10 Q 4.0735 7.8980 119.6632 59.4069 29.3137 177.2850 11 C 4.4463 9.2688 119.8149 58.3499 43.4029 173.9726 12 A 4.4965 7.6257 120.1895 51.8607 19.7437 174.3786 13 N 5.0796 7.8056 112.3462 52.6263 42.3926 173.1536 14 T 4.2738 8.4112 106.4705 62.5827 70.4162 174.7124 *17 R 4.1101 7.9481 119.0745 55.8003 31.0848 175.4793 18 T 4.3244 8.0594 112.4651 60.6417 69.7502 174.3502 19 W 4.7338 8.5919 130.1683 60.1348 30.0854 175.5212 20 P 3.5210 0.0000 0.0000 65.4033 30.7045 178.3663 21 S 3.6885 7.5054 109.9585 60.6343 62.2030 174.6367 22 Y 4.5361 8.3448 118.1681 58.3383 39.2563 176.8377 23 T 3.6373 6.5557 116.0915 66.5168 68.6152 173.6875 24 N 4.9609 7.5891 119.0756 52.5475 39.4131 171.7924 25 Y 4.8056 7.7638 124.0137 55.1527 42.7445 176.3500 26 G 4.0262 7.7465 114.8806 46.5666 0.0000 172.6595 27 C 4.5074 9.6235 115.0937 57.7914 41.0661 174.8025 28 Y 4.1677 8.9812 115.2456 58.0232 39.8967 175.2595 29 C 4.3915 8.1337 117.4316 58.0528 40.2993 172.5635 30 G 3.7407 8.7011 111.1990 43.2040 0.0000 172.0806 31 K 3.9303 8.5368 121.6510 57.0239 32.4949 177.0793 32 G 3.9847 8.8852 118.3320 45.1317 0.0000 172.4397 33 G 3.6606 8.0098 105.6830 43.8925 0.0000 172.2777 34 S 4.4501 7.1316 115.1878 57.1807 66.0582 175.8496 35 G 3.8526 8.6207 111.9817 45.2654 0.0000 172.2227 36 T 4.6755 8.2023 115.5151 60.8023 70.5528 172.5447 37 P 4.6240 0.0000 0.0000 63.3830 32.0482 176.6174 38 V 3.8139 8.8174 122.0924 65.3107 32.3252 175.0905 39 D 4.8003 7.5547 120.1758 51.8215 41.0510 175.0307 40 D 4.5035 8.6885 116.5440 55.4701 40.2681 177.7723 41 L 3.9745 7.8552 122.2206 58.1061 42.1397 177.9980 42 D 4.4785 8.8190 118.2493 57.3167 41.1645 178.4201 43 R 3.9370 7.7533 118.8254 59.0593 29.9658 178.3537 44 C 4.4248 8.0852 116.7049 60.3288 40.8969 175.4715 45 C 4.4041 8.1699 117.6840 59.9081 36.9442 175.2019 46 Y 3.6208 8.1585 121.3921 60.9382 38.3573 178.2857 47 T 3.8144 7.9992 116.3695 66.8666 68.5496 175.6990 48 H 3.9536 8.2551 120.0430 59.8008 29.7809 176.1975 49 D 4.2508 8.0112 119.9498 58.3329 40.7170 178.8957 50 H 3.9624 8.1166 116.0032 59.0311 28.6505 177.1058 51 C 4.3773 8.6117 120.6198 60.0969 37.7880 175.3244 52 Y 4.0742 8.3146 118.4431 61.0732 37.1311 178.4294 53 N 4.3773 8.0623 116.8532 56.3493 38.9995 176.5985 54 D 4.3973 8.3043 119.2651 57.1731 41.2499 177.8700 55 A 3.4643 8.3938 121.4110 55.2297 18.1888 179.6546 56 K 4.1124 7.5581 116.0564 58.3771 32.1333 177.7172 57 N 4.5808 8.1364 114.8149 53.6671 38.4426 174.6337 58 I 4.3234 7.3255 120.0045 58.9180 39.0213 175.2243 59 D 4.2520 8.6616 123.8736 55.8238 41.7569 176.2540 60 G 3.9146 8.5904 113.7889 47.1113 0.0000 174.5832 61 C 4.6859 7.8810 117.5803 54.5879 46.7745 172.1963 62 N 4.9344 8.3617 125.6433 50.6150 39.1705 173.4374 63 P 4.0251 0.0000 0.0000 65.3439 31.1880 179.6123 64 V 3.6342 7.7527 117.0144 64.0947 31.2904 176.9767 65 T 4.6223 7.1977 106.7985 60.4059 69.9218 173.9500 66 K 4.0740 8.2510 124.7533 56.7238 32.7032 175.8533 67 T 4.4743 8.4925 122.9017 61.9752 69.7783 173.4205 68 Y 4.7729 7.4978 124.4926 55.2578 40.7262 174.7490 69 S 4.9392 9.3638 116.1253 57.2007 64.4657 173.5232 70 Y 5.5306 8.4110 121.8572 55.7170 41.7984 174.4684 71 T 4.5799 9.4582 115.5148 61.8753 72.8441 172.4501 72 C 5.4364 8.7277 124.3314 55.4633 45.2122 174.3085 73 T 4.4131 9.3692 122.2881 61.8495 69.8497 171.4339 74 E 4.2045 7.9405 123.6121 55.6229 28.9741 175.5200 75 P 5.6234 0.0000 0.0000 61.9263 32.0511 174.8152 76 T 4.2307 8.2478 115.5966 61.8899 67.9347 173.2751 77 I 5.2703 8.1339 120.9228 59.5229 40.7694 174.6265 78 T 4.7587 9.4120 120.5267 62.0725 72.7216 172.1741 79 C 5.1482 8.8138 122.1062 55.7084 41.4170 173.1729 80 N 4.7667 9.0906 121.3629 53.1884 38.9347 175.2094 81 D 4.6631 8.0295 119.9320 54.2485 41.8553 175.0806 82 S 4.5550 8.6365 117.7896 60.2964 65.2384 175.8473 83 K 3.9955 8.0916 117.3399 58.4500 32.3280 177.0482 84 D 4.6439 7.8704 118.2382 52.6908 41.4018 176.3493 85 K 3.9632 8.5471 127.9747 59.5587 32.1091 179.6397 86 C 4.2532 8.1271 117.9969 59.4213 41.4755 175.0565 87 A 4.0617 8.1704 122.4586 55.3677 17.9180 179.6886 88 R 3.7589 8.0934 117.0405 59.5093 30.2618 178.4242 89 F 3.9177 8.1488 120.3582 61.2741 39.3165 177.2436 90 V 3.6078 7.9813 117.9127 65.6513 31.2284 177.3360 91 C 2.9871 7.6246 118.4135 59.2986 41.6799 175.3143 92 D 4.0072 7.9570 120.5519 57.2197 40.4015 177.9866 93 C 4.0890 7.5769 116.6055 60.3026 40.8169 175.9934 94 D 4.2605 8.1569 120.2443 57.1477 40.3806 178.8359 95 R 3.7191 8.3498 119.5987 59.8619 30.0700 178.5934 96 T 3.7826 8.1266 115.6018 66.5257 68.3836 176.3699 97 A 3.6722 7.6327 121.7927 54.9057 18.3990 179.0881 98 A 3.4228 7.4134 119.0340 55.4547 18.3503 179.8293 99 I 3.5919 7.5192 117.7005 64.7803 37.3644 177.6768 100 C 4.2327 8.2284 119.3017 59.8608 43.1274 175.7955 101 F 4.2080 8.6698 118.3158 60.7222 38.6426 177.2106 102 A 4.2439 8.0414 118.8819 55.1994 18.1542 179.5255 103 K 4.0982 8.0189 116.2029 58.4141 32.5596 178.0331 104 A 4.3289 7.1973 120.2594 51.1223 19.0475 175.4338 105 P 4.4723 0.0000 0.0000 62.3367 32.1809 175.9867 106 Y 4.1894 8.2971 121.1103 55.8442 39.1940 174.5485 107 N 4.7439 8.3344 126.3605 52.5017 39.2532 176.5723 108 T 4.2856 8.6413 117.8459 63.5818 67.7751 174.8060 109 S 4.4139 7.8688 113.7915 59.6837 63.8788 174.2811 110 N 4.3690 7.4555 118.0020 52.9918 38.6753 176.7773 111 V 3.4738 7.3755 118.8585 66.2152 31.8757 176.3042 112 M 4.6278 7.2883 118.1897 54.1238 31.9411 174.2821 113 I 4.1610 7.4408 109.1492 60.8005 38.6426 176.3348 114 R 3.8203 7.6344 120.9416 57.8316 30.1807 177.2200 115 S 3.6270 8.6857 113.1131 59.4659 61.7017 172.7874 116 T 4.0961 7.7346 111.9767 63.1530 66.9466 173.9263 117 N 4.5264 7.6066 117.9423 54.1272 38.8870 175.0323 118 S 4.4305 7.9189 110.2394 59.5818 64.3182 175.4611 119 C 4.6898 7.6163 120.1275 55.3503 38.7669 173.5419 120 Q 4.1541 7.8103 121.3756 56.1542 28.2468 176.8115 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 N 8.28 4.73 0.00 2.83 2.72 0.00 0.00 6.68 5.78 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 2 L 8.32 3.95 0.00 1.98 1.85 1.20 0.84 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 3 Y 9.43 4.11 0.00 2.94 3.02 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 4 Q 8.16 3.83 0.00 1.98 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.64 0.00 0.00 0.00 0.00 0.00 2.53 2.36 0.00 5 L 8.21 3.84 0.00 1.84 2.03 0.84 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 6 M 7.29 3.37 0.00 1.42 0.73 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.97 0.00 7 N 7.45 4.18 0.00 2.82 2.82 0.00 0.00 7.09 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 8 M 7.71 3.95 0.00 1.90 2.03 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.11 0.00 9 I 7.65 3.63 2.20 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.90 1.04 0.00 0.00 10 Q 7.90 4.07 0.00 2.15 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.97 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 11 C 9.27 4.45 0.00 2.99 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 12 A 7.63 4.50 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 13 N 7.81 5.08 0.00 2.82 2.83 0.00 0.00 7.00 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 14 T 8.41 4.27 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 *17 R 7.95 4.11 0.00 2.07 1.64 0.00 3.18 0.00 0.00 3.27 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.75 0.00 18 T 8.06 4.32 4.35 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 1.24 0.00 0.00 19 W 8.59 4.73 0.00 3.44 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 P 0.00 3.52 0.00 2.20 2.12 0.00 3.80 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.31 0.00 21 S 7.51 3.69 0.00 3.53 3.79 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 22 Y 8.34 4.54 0.00 2.71 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 23 T 6.56 3.64 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 1.14 0.00 0.00 24 N 7.59 4.96 0.00 2.60 2.67 0.00 0.00 6.63 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Y 7.76 4.81 0.00 2.87 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 26 G 7.75 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 0.00 0.00 0.00 27 C 9.62 4.51 0.00 3.22 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 28 Y 8.98 4.17 0.00 3.31 3.07 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 29 C 8.13 4.39 0.00 3.48 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 30 G 8.70 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 0.00 0.00 0.00 31 K 8.54 3.93 0.00 1.75 1.76 0.00 1.87 0.00 0.00 1.76 0.00 0.00 3.17 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.52 7.81 32 G 8.89 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 0.00 0.00 0.00 0.00 33 G 8.01 3.66 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 0.00 0.00 0.00 34 S 7.13 4.45 0.00 3.65 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.62 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 36 T 8.20 4.68 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 1.17 0.00 0.00 37 P 0.00 4.62 0.00 1.91 1.98 0.00 3.49 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.69 0.00 38 V 8.82 3.81 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 0.82 0.00 0.00 0.90 0.00 0.00 39 D 7.55 4.80 0.00 2.89 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 40 D 8.69 4.50 0.00 2.83 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 41 L 7.86 3.97 0.00 1.56 1.65 0.38 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 42 D 8.82 4.48 0.00 3.05 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 43 R 7.75 3.94 0.00 1.99 1.95 0.00 3.15 0.00 0.00 3.11 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.95 0.00 44 C 8.09 4.42 0.00 3.31 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 45 C 8.17 4.40 0.00 3.30 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 46 Y 8.16 3.62 0.00 2.56 2.93 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 47 T 8.00 3.81 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 1.22 0.00 0.00 48 H 8.26 3.95 0.00 3.24 3.43 0.00 5.62 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 8.01 4.25 0.00 2.96 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 H 8.12 3.96 0.00 3.20 3.33 0.00 5.62 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 C 8.61 4.38 0.00 3.08 3.30 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 0.00 52 Y 8.31 4.07 0.00 3.15 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 53 N 8.06 4.38 0.00 2.86 2.87 0.00 0.00 6.98 7.42 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 54 D 8.30 4.40 0.00 3.15 2.81 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 55 A 8.39 3.46 1.52 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 56 K 7.56 4.11 0.00 1.95 1.88 0.00 1.68 0.00 0.00 1.56 0.00 0.00 3.06 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.45 1.57 7.81 57 N 8.14 4.58 0.00 2.72 2.74 0.00 0.00 6.88 7.34 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 58 I 7.33 4.32 1.83 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.34 0.85 0.00 0.00 59 D 8.66 4.25 0.00 2.58 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 60 G 8.59 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 61 C 7.88 4.69 0.00 2.90 3.06 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 62 N 8.36 4.93 0.00 2.74 2.71 0.00 0.00 7.05 8.03 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 63 P 0.00 4.03 0.00 0.98 0.95 0.00 3.47 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.87 0.00 64 V 7.75 3.63 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 0.90 0.00 0.00 1.12 0.00 0.00 65 T 7.20 4.62 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 1.24 0.00 0.00 66 K 8.25 4.07 0.00 2.04 1.86 0.00 1.91 0.00 0.00 1.78 0.00 0.00 2.95 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.48 1.59 7.81 67 T 8.49 4.47 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 1.18 0.00 0.00 68 Y 7.50 4.77 0.00 3.42 3.07 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 69 S 9.36 4.94 0.00 3.88 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 70 Y 8.41 5.53 0.00 3.15 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 71 T 9.46 4.58 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 72 C 8.73 5.44 0.00 3.10 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 73 T 9.37 4.41 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 1.21 0.00 0.00 74 E 7.94 4.20 0.00 1.97 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 0.00 2.45 2.31 0.00 75 P 0.00 5.62 0.00 2.14 2.12 0.00 3.11 0.00 0.00 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.00 0.00 76 T 8.25 4.23 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 1.27 0.00 0.00 77 I 8.13 5.27 1.93 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.83 1.01 0.00 0.00 78 T 9.41 4.76 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 1.29 0.00 0.00 79 C 8.81 5.15 0.00 2.83 3.02 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 80 N 9.09 4.77 0.00 2.63 2.86 0.00 0.00 7.12 8.90 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 81 D 8.03 4.66 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 82 S 8.64 4.55 0.00 3.82 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 83 K 8.09 4.00 0.00 1.76 1.88 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.43 7.81 84 D 7.87 4.64 0.00 2.81 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.55 3.96 0.00 1.88 1.85 0.00 1.61 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.53 1.59 7.81 86 C 8.13 4.25 0.00 2.97 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 87 A 8.17 4.06 1.59 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 0.00 0.00 88 R 8.09 3.76 0.00 2.09 1.96 0.00 3.47 0.00 0.00 3.02 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 89 F 8.15 3.92 0.00 3.32 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 90 V 7.98 3.61 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 0.87 0.00 0.00 0.88 0.00 0.00 91 C 7.62 2.99 0.00 2.26 2.84 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 92 D 7.96 4.01 0.00 2.44 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.58 4.09 0.00 3.17 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 94 D 8.16 4.26 0.00 2.71 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 95 R 8.35 3.72 0.00 1.80 1.95 0.00 3.06 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 96 T 8.13 3.78 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 1.16 0.00 0.00 97 A 7.63 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 A 7.41 3.42 1.22 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 99 I 7.52 3.59 2.02 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.46 0.90 0.00 0.00 100 C 8.23 4.23 0.00 3.21 3.44 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 0.00 101 F 8.67 4.21 0.00 2.87 2.90 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 0.00 102 A 8.04 4.24 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 0.00 103 K 8.02 4.10 0.00 1.97 1.91 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.49 1.62 7.81 104 A 7.20 4.33 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 0.00 105 P 0.00 4.47 0.00 2.08 2.02 0.00 3.76 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 106 Y 8.30 4.19 0.00 2.86 2.81 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 0.00 107 N 8.33 4.74 0.00 2.73 2.72 0.00 0.00 6.38 6.91 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 0.00 108 T 8.64 4.29 4.35 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 1.24 0.00 0.00 109 S 7.87 4.41 0.00 3.96 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 0.00 110 N 7.46 4.37 0.00 1.92 2.04 0.00 0.00 6.45 7.34 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 0.00 111 V 7.38 3.47 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 0.99 0.00 0.00 1.15 0.00 0.00 112 M 7.29 4.63 0.00 1.89 1.89 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.55 0.00 113 I 7.44 4.16 1.78 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.62 0.78 0.00 0.00 114 R 7.63 3.82 0.00 1.81 1.84 0.00 3.39 0.00 0.00 3.18 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.66 0.00 115 S 8.69 3.63 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 0.00 116 T 7.73 4.10 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 1.21 0.00 0.00 117 N 7.61 4.53 0.00 2.79 3.19 0.00 0.00 7.07 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 0.00 118 S 7.92 4.43 0.00 3.98 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 0.00 119 C 7.62 4.69 0.00 2.90 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 0.00 120 Q 7.81 4.15 0.00 2.04 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.65 0.00 0.00 0.00 0.00 0.00 2.42 2.35 0.00 * Residues marked with a * may have inaccurate shift predictions.