NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4022 8.1776 115.4026 57.4629 63.5562 173.4480 2 I 3.1320 7.7910 123.4983 64.2052 37.3641 177.5576 3 Q 4.0383 8.0554 120.5914 57.9646 29.6479 177.9235 4 A 4.1496 7.9131 119.8525 53.0615 19.2646 177.4387 5 E 3.6533 7.6358 117.7812 55.4933 29.5765 178.0623 6 E 3.8815 8.3882 122.3470 58.3424 30.0548 177.5533 7 W 4.6285 7.0520 115.3459 56.6209 28.8716 174.7651 8 Y 5.1260 7.5859 121.7848 57.2015 37.9202 174.8008 9 F 4.3219 9.3722 126.3939 56.5408 40.5980 178.4723 10 G 3.4047 5.9037 109.6633 46.6244 0.0000 175.9826 11 K 4.7192 8.4665 119.3201 54.5133 30.6896 175.3270 12 I 4.6228 7.4716 115.4384 57.9518 40.7939 176.9407 13 T 4.2818 8.1101 112.7980 61.1526 70.9500 175.6704 14 R 3.7952 9.1588 121.6953 59.5683 29.9260 178.5786 15 R 3.8532 7.8835 118.0198 59.3954 30.1816 177.9503 16 E 3.9414 8.2810 119.4720 59.1118 29.5600 178.8514 17 S 4.0869 8.1885 114.4073 61.6343 63.0002 176.4243 18 E 3.9342 8.4216 122.4712 58.8425 28.9361 179.1979 19 R 3.8943 8.0406 118.1813 59.5177 30.2172 178.3222 20 L 4.1515 7.7441 117.3640 57.8923 41.7274 179.2713 21 L 4.1641 7.9386 117.8976 56.9984 41.9989 177.9918 22 L 4.4039 7.9449 119.0797 53.9336 42.4635 176.2785 23 N 4.7970 7.5798 116.9584 51.6153 40.5771 175.1852 24 A 4.0148 8.6860 128.2224 55.2505 18.5674 178.2658 25 E 4.1351 8.6458 114.1888 57.9869 29.8514 176.8768 26 N 4.5029 7.9998 118.2245 52.1437 39.0605 173.4731 27 P 4.5775 0.0000 0.0000 61.2211 32.9219 175.4872 28 R 3.9036 8.1735 117.6894 58.1691 30.3512 177.6239 29 G 4.1363 9.1921 109.9225 46.3803 0.0000 173.4147 30 T 4.7122 7.6002 117.9565 63.9481 69.6351 173.4779 31 F 5.9492 9.2498 119.9938 55.4293 42.2711 172.7548 32 L 4.7094 8.3031 117.0278 54.7198 43.5736 174.0271 33 V 4.9943 9.3735 120.7017 61.3232 33.9605 174.5980 34 R 4.9927 8.5229 122.1601 54.3427 33.5053 173.8940 35 E 4.4044 8.8764 119.3305 56.0158 29.0100 177.4455 36 S 4.2652 8.5908 117.6699 58.3393 63.0387 175.4174 37 E 4.2339 8.7169 126.3856 59.1186 29.4666 177.9337 38 T 4.5194 7.4220 102.2572 61.3519 70.8575 173.7572 39 T 4.3828 8.2291 120.9768 61.2625 69.0225 173.5821 40 K 3.8833 8.4857 125.7221 58.3450 32.6756 178.1294 41 G 3.7736 8.6884 108.4112 45.6902 0.0000 173.0629 42 A 4.6755 7.6731 121.6669 50.5216 21.4278 175.7176 43 Y 5.2514 8.2915 117.0507 56.7678 42.1922 175.9597 *45 L 4.5028 8.4199 127.2968 56.3401 43.8898 176.1534 46 S 5.1717 8.9778 123.3037 56.9314 65.1177 173.5773 47 V 5.1227 8.9725 124.8958 60.9971 34.7935 174.7310 48 S 4.9552 9.3745 122.7468 58.2074 64.8320 172.4848 49 D 5.2518 9.2938 121.0021 53.0054 45.4631 173.6521 50 F 5.2591 8.5596 122.4704 57.0240 42.4931 172.5928 51 D 4.5435 7.6088 123.7387 52.2176 42.7117 175.9606 52 N 4.3041 8.6673 115.5742 55.5578 38.6516 176.7843 53 A 4.0200 7.6580 120.9790 54.3358 18.7535 178.3196 54 K 4.1708 9.4526 114.9005 55.3812 33.8858 179.5370 55 G 3.3498 7.7832 108.7463 45.3441 0.0000 172.1817 56 L 4.9312 8.5289 124.3655 55.1016 42.9998 177.0101 57 N 5.0944 9.2055 122.6081 51.7986 41.5868 173.0132 58 V 4.8855 8.2130 118.0024 61.0261 34.4251 174.5246 59 K 4.5167 8.9971 126.4320 54.7668 35.5367 174.6885 60 H 5.1477 8.0584 119.0628 54.1469 31.6039 172.5645 61 Y 4.7875 8.6900 121.0254 55.8453 40.4526 175.2680 62 K 4.4551 8.8018 125.2309 56.1931 34.0898 175.2187 63 I 4.8350 8.8815 128.9572 60.0229 38.8889 175.2433 64 R 4.5151 9.0761 127.4868 54.9786 32.1092 175.8263 65 K 4.5366 8.0721 122.0862 54.5524 34.6703 175.9013 66 L 4.3537 8.6755 128.1393 54.2068 42.4971 178.1482 67 D 4.3450 8.5197 121.1385 57.3513 41.0063 178.3117 68 S 4.1726 7.9795 114.1790 59.6421 62.9361 174.4160 69 G 3.9525 7.7085 108.2407 45.2990 0.0000 174.4614 70 G 4.1457 8.1253 107.3277 45.5680 0.0000 172.7309 71 F 5.4889 9.4492 121.6677 55.9804 41.7059 174.4596 72 Y 5.1694 8.5399 118.1854 57.3099 40.9928 175.0020 73 I 4.3040 9.0462 120.7233 62.3793 38.4371 176.1766 74 T 4.7668 7.8077 114.4880 59.7067 69.2139 174.8378 75 S 2.8417 8.6585 123.0205 60.8621 62.9195 175.6657 76 R 3.9408 7.3831 118.4594 58.0039 29.9134 176.8144 77 T 4.1599 7.7630 113.8651 61.5220 69.7356 172.8818 78 Q 4.8726 7.7065 123.9010 53.8202 31.6893 175.3771 79 F 4.9019 8.8322 118.1177 55.7359 42.7315 176.1813 80 N 4.8793 8.7284 119.9554 55.5223 39.0200 176.1621 81 S 4.6709 7.8692 112.0283 55.6348 67.1749 174.5801 82 L 3.3385 7.2532 124.2805 58.1107 41.7177 179.2566 83 Q 4.2078 7.9393 117.5586 59.2938 28.6521 178.8072 84 Q 3.9333 8.1305 118.9492 58.5740 28.6966 178.5278 85 L 2.4400 7.4773 121.2730 57.5446 42.1109 179.1732 86 V 3.1520 7.6502 118.1834 65.8098 31.0864 177.7670 87 A 3.8740 7.8997 120.5506 55.2490 18.2091 178.9479 88 Y 3.7856 7.8542 118.1839 60.9788 38.8648 177.6202 89 Y 4.4388 7.5916 117.5206 59.2446 37.8195 177.6554 90 S 4.5595 7.3620 116.4942 59.4468 63.0807 174.8111 91 K 4.2547 7.0323 119.3997 56.3296 33.4508 176.1178 92 H 4.6258 7.7594 115.9146 53.5802 31.4377 174.5279 93 A 4.0334 8.6979 127.2535 54.0339 19.8275 178.9499 94 D 4.4538 7.6825 113.3165 56.0356 40.1313 174.8834 95 G 3.9335 8.9001 116.4987 46.3876 0.0000 173.2424 96 L 3.9261 7.9171 121.3460 53.4869 42.4358 177.8536 97 C 4.2640 8.6585 115.7687 61.5316 29.6844 173.2651 98 H 4.4745 7.1402 117.1223 54.9371 32.7479 173.3755 99 R 4.1630 7.6516 119.6823 55.4928 30.2178 175.9802 100 L 4.2140 8.4790 121.0466 55.3459 41.9063 176.3253 101 T 4.4047 8.9491 113.1137 62.9544 70.4752 174.3150 102 T 4.7973 7.7731 116.9500 58.9073 71.2159 172.4074 103 V 3.4216 8.4536 128.2716 62.5736 32.2446 175.0774 104 C 3.9490 8.4801 129.0115 59.3098 31.9295 171.8904 105 P 4.4950 0.0000 0.0000 62.9227 30.9642 176.1392 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 S 8.18 4.40 0.00 3.95 4.07 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 2 I 7.79 3.13 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 0.89 -0.36 0.71 0.00 0.00 3 Q 8.06 4.04 0.00 2.02 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.06 0.00 0.00 0.00 0.00 0.00 2.11 2.28 0.00 4 A 7.91 4.15 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 5 E 7.64 3.65 0.00 1.16 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 1.82 1.47 0.00 6 E 8.39 3.88 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 2.28 0.00 7 W 7.05 4.63 0.00 3.56 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 8 Y 7.59 5.13 0.00 2.66 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 9 F 9.37 4.32 0.00 2.89 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 10 G 5.90 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 0.00 0.00 0.00 11 K 8.47 4.72 0.00 1.76 1.77 0.00 1.74 0.00 0.00 1.77 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.56 7.81 12 I 7.47 4.62 1.92 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.88 1.01 0.00 0.00 13 T 8.11 4.28 4.37 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 1.21 0.00 0.00 14 R 9.16 3.80 0.00 1.77 1.90 0.00 2.99 0.00 0.00 3.02 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.28 0.00 15 R 7.88 3.85 0.00 1.90 1.90 0.00 3.23 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.68 0.00 16 E 8.28 3.94 0.00 2.15 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 2.40 0.00 17 S 8.19 4.09 0.00 4.06 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 0.00 18 E 8.42 3.93 0.00 2.17 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 2.37 2.51 0.00 19 R 8.04 3.89 0.00 1.90 2.12 0.00 3.27 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 20 L 7.74 4.15 0.00 1.78 1.69 1.04 0.93 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 21 L 7.94 4.16 0.00 1.64 1.71 0.87 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.94 4.40 0.00 1.68 1.69 0.95 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 23 N 7.58 4.80 0.00 2.72 2.67 0.00 0.00 6.93 7.77 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 24 A 8.69 4.01 1.30 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 0.00 0.00 25 E 8.65 4.14 0.00 2.03 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 2.33 2.36 0.00 26 N 8.00 4.50 0.00 2.83 2.76 0.00 0.00 6.97 7.86 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 27 P 0.00 4.58 0.00 2.18 2.14 0.00 3.71 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.97 0.00 28 R 8.17 3.90 0.00 1.54 1.65 0.00 3.23 0.00 0.00 3.29 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.69 0.00 29 G 9.19 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 30 T 7.60 4.71 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 1.20 0.00 0.00 31 F 9.25 5.95 0.00 3.19 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 32 L 8.30 4.71 0.00 1.00 1.00 0.78 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 33 V 9.37 4.99 2.77 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 1.29 0.00 0.00 1.07 0.00 0.00 34 R 8.52 4.99 0.00 2.02 1.98 0.00 3.21 0.00 0.00 3.34 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 35 E 8.88 4.40 0.00 1.95 1.96 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 2.55 2.49 0.00 36 S 8.59 4.27 0.00 3.90 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 37 E 8.72 4.23 0.00 1.98 1.99 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 2.31 2.28 0.00 38 T 7.42 4.52 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 1.20 0.00 0.00 39 T 8.23 4.38 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 1.18 0.00 0.00 40 K 8.49 3.88 0.00 1.82 1.82 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.38 1.39 7.81 41 G 8.69 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 42 A 7.67 4.68 1.24 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 43 Y 8.29 5.25 0.00 3.20 3.05 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 *45 L 8.42 4.50 0.00 1.88 1.88 0.97 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 46 S 8.98 5.17 0.00 3.80 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 47 V 8.97 5.12 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 1.15 0.00 0.00 1.10 0.00 0.00 48 S 9.37 4.96 0.00 3.92 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 49 D 9.29 5.25 0.00 2.76 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 50 F 8.56 5.26 0.00 3.10 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 51 D 7.61 4.54 0.00 2.68 2.63 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 52 N 8.67 4.30 0.00 2.71 2.90 0.00 0.00 6.87 7.35 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 53 A 7.66 4.02 1.24 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 54 K 9.45 4.17 0.00 1.58 1.78 0.00 1.78 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.41 7.81 55 G 7.78 3.35 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 0.00 56 L 8.53 4.93 0.00 1.91 1.69 1.08 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 57 N 9.21 5.09 0.00 2.80 2.82 0.00 0.00 5.98 7.19 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 58 V 8.21 4.89 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 0.67 0.00 0.00 0.91 0.00 0.00 59 K 9.00 4.52 0.00 1.53 1.01 0.00 1.52 0.00 0.00 1.55 0.00 0.00 2.85 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.31 1.57 7.81 60 H 8.06 5.15 0.00 2.85 3.08 0.00 5.64 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 Y 8.69 4.79 0.00 2.77 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 62 K 8.80 4.46 0.00 1.89 1.73 0.00 1.71 0.00 0.00 1.82 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.52 1.51 7.81 63 I 8.88 4.83 2.16 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 1.32 0.90 1.20 0.00 0.00 64 R 9.08 4.52 0.00 0.67 1.47 0.00 3.15 0.00 0.00 3.05 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.54 0.00 65 K 8.07 4.54 0.00 1.23 1.54 0.00 1.24 0.00 0.00 0.61 0.00 0.00 2.88 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.13 1.29 7.81 66 L 8.68 4.35 0.00 1.81 1.58 1.03 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 67 D 8.52 4.35 0.00 2.65 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 68 S 7.98 4.17 0.00 3.86 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 69 G 7.71 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 0.00 0.00 0.00 70 G 8.13 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 71 F 9.45 5.49 0.00 3.20 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 72 Y 8.54 5.17 0.00 3.40 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 73 I 9.05 4.30 1.91 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.24 0.93 0.00 0.00 74 T 7.81 4.77 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 75 S 8.66 2.84 0.00 3.54 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 76 R 7.38 3.94 0.00 1.78 1.96 0.00 3.07 0.00 0.00 3.17 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 77 T 7.76 4.16 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 0.76 0.00 0.00 78 Q 7.71 4.87 0.00 1.81 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.78 0.00 0.00 0.00 0.00 0.00 2.04 2.18 0.00 79 F 8.83 4.90 0.00 3.31 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 80 N 8.73 4.88 0.00 3.04 2.98 0.00 0.00 6.73 7.23 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 81 S 7.87 4.67 0.00 3.94 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 82 L 7.25 3.34 0.00 0.66 1.38 0.72 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 83 Q 7.94 4.21 0.00 2.22 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.68 0.00 0.00 0.00 0.00 0.00 2.62 2.85 0.00 84 Q 8.13 3.93 0.00 2.35 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.44 2.41 0.00 85 L 7.48 2.44 0.00 1.60 1.62 1.22 0.82 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 86 V 7.65 3.15 1.72 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 0.29 0.00 0.00 -0.06 0.00 0.00 87 A 7.90 3.87 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 88 Y 7.85 3.79 0.00 2.84 2.28 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 89 Y 7.59 4.44 0.00 2.97 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 90 S 7.36 4.56 0.00 3.89 3.82 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 91 K 7.03 4.25 0.00 1.46 1.51 0.00 1.53 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.25 1.40 7.81 92 H 7.76 4.63 0.00 2.45 3.11 0.00 5.61 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 A 8.70 4.03 1.25 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 0.00 0.00 94 D 7.68 4.45 0.00 3.09 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 0.00 0.00 0.00 95 G 8.90 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 96 L 7.92 3.93 0.00 1.66 1.27 0.40 -0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 97 C 8.66 4.26 0.00 3.38 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 98 H 7.14 4.47 0.00 3.12 3.17 0.00 5.75 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 R 7.65 4.16 0.00 2.05 1.92 0.00 3.20 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 100 L 8.48 4.21 0.00 1.13 0.14 0.14 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 101 T 8.95 4.40 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 1.38 0.00 0.00 102 T 7.77 4.80 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 1.25 0.00 0.00 103 V 8.45 3.42 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 0.88 0.00 0.00 0.96 0.00 0.00 104 C 8.48 3.95 0.00 2.83 2.46 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 0.00 0.00 0.00 0.00 105 P 0.00 4.49 0.00 2.10 1.97 0.00 3.76 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 * Residues marked with a * may have inaccurate shift predictions.