NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 C 4.6021 8.4549 118.1634 56.1555 41.8683 173.3298 5 L 4.0481 7.7792 121.1880 52.3392 41.8950 176.1067 6 P 4.3258 0.0000 0.0000 65.4783 31.9153 176.4337 7 D 4.8530 8.3035 115.7360 52.6637 39.6321 175.4357 8 W 4.8469 8.2583 119.1697 55.5803 32.0438 175.1725 9 S 5.1734 9.7006 117.8440 57.0415 65.2222 173.4430 10 S 5.4578 8.7283 117.7556 57.1564 65.0533 173.2105 11 Y 4.1613 9.7234 124.0289 57.8314 41.9059 174.9991 12 K 3.5392 8.9997 128.6388 57.4719 29.5526 175.4282 13 G 3.9250 8.3552 105.0904 45.6427 0.0000 172.2744 14 H 5.1040 8.5370 116.2813 53.9639 32.7710 171.3023 15 C 5.8327 9.2482 118.5245 55.7026 41.1324 172.9516 16 Y 5.6811 10.0309 121.0571 56.5086 41.8982 174.6262 17 K 4.1507 8.2378 121.8271 55.0677 36.0608 174.4733 18 V 4.2707 7.7346 127.3029 61.4481 32.9014 174.6069 19 F 4.2458 8.6078 127.4615 55.8715 39.9357 177.3732 20 K 3.9035 8.5596 123.0075 58.0087 32.4782 177.1647 21 K 4.0639 7.7122 118.5298 56.8032 32.7344 177.5243 22 V 4.0192 8.3727 119.1916 61.4565 32.5962 175.6608 23 G 4.3056 8.8487 110.1082 45.2968 0.0000 172.7750 24 T 5.1268 8.3405 109.7737 60.1347 70.0518 175.3032 25 W 2.8116 8.1672 131.9045 60.2815 30.3565 177.8098 26 E 3.7886 8.1073 118.3635 59.4971 29.1238 178.3403 27 D 4.1992 7.7512 118.1733 57.0149 40.8173 178.5166 28 A 2.6485 7.6838 121.6323 54.7320 18.1543 179.1673 29 E 3.4866 7.2762 117.5059 59.3583 29.5110 179.2181 30 K 3.8327 7.6810 118.3414 59.3130 31.9066 179.1648 31 F 3.8860 8.1912 121.0999 61.3086 39.3061 176.6652 32 C 4.4764 8.3166 116.2824 59.8787 40.1690 176.0827 33 V 4.0296 7.8721 121.4720 65.6038 30.9054 177.5273 34 E 3.7819 7.9012 117.4316 58.7028 29.3424 177.2163 35 N 4.7755 7.4461 115.3945 52.8259 40.4390 174.4650 36 S 3.7282 8.2606 111.6000 58.7155 62.4597 171.6338 37 G 3.9702 7.9265 107.8786 45.8557 0.0000 171.8442 38 H 5.2278 8.8687 118.6839 54.4358 34.1990 173.3369 39 L 4.5445 8.8544 120.2222 54.6448 42.1707 177.6331 40 A 4.2773 9.0052 124.9215 52.5487 19.3942 176.8523 41 S 4.9690 8.7346 115.7951 56.3287 65.4998 173.5546 42 I 4.7425 8.2934 122.8146 59.9774 39.1489 174.9156 43 D 4.9448 9.4747 124.5882 54.2509 42.3218 176.0569 44 S 4.7398 7.6150 112.1708 56.5200 67.1011 174.6047 45 K 3.9218 8.6491 123.1330 59.5896 31.9161 178.5887 46 E 3.9762 8.1764 119.2612 59.2693 29.6815 178.2486 47 E 3.7917 8.4149 119.2398 59.0037 29.6152 178.4504 48 A 4.1266 8.4231 121.2359 55.6067 18.5061 179.4040 49 D 4.3075 8.4170 117.4095 57.2483 40.7075 179.0134 50 F 3.9743 7.8183 120.8396 61.2848 39.3497 177.3725 51 V 3.0606 7.6603 117.8711 66.1898 31.2302 178.0935 52 T 3.9140 8.1423 115.7679 66.3473 68.2500 176.6623 53 K 3.8942 7.7642 121.6079 59.2761 32.3113 178.6302 54 L 3.6267 7.6135 120.7255 58.0132 41.9396 178.8207 55 A 3.8181 7.8375 120.6713 55.2691 18.0457 179.8559 56 S 4.1517 8.1267 112.5328 61.1157 62.9816 175.9106 57 Q 4.3728 7.7086 118.0228 56.2271 28.9458 176.1070 58 T 4.4131 7.3240 114.6523 63.2455 71.4183 174.2228 59 L 4.6582 7.3238 121.9628 53.6413 43.0491 177.1736 *62 F 4.4738 8.3326 116.1973 58.5448 38.7977 174.2815 63 V 4.2499 8.0338 116.1508 60.6229 33.9997 175.3920 64 Y 5.0212 7.6813 115.5216 56.0833 41.2967 175.1207 65 D 5.0879 8.7158 121.1843 53.7595 42.9587 175.5224 66 A 4.7202 8.2099 120.6957 49.6337 21.7864 175.8993 67 W 5.1754 8.8814 123.5262 57.2171 30.4027 175.4962 68 I 4.5781 8.9453 116.2824 58.3872 41.0478 175.9781 69 G 4.0826 8.9343 108.8179 46.0019 0.0000 172.9440 70 L 4.6648 7.8227 122.8415 53.5052 43.7105 175.4400 71 R 4.8564 8.2213 124.6815 54.6641 33.5308 173.7901 72 D 4.6005 9.2431 126.0915 53.5276 41.1740 175.5290 73 E 4.2457 8.8080 126.5311 56.1829 29.9877 176.6488 74 S 4.2865 8.0786 112.8812 58.8476 63.4010 174.7278 75 K 4.0877 8.4296 121.1810 58.8735 33.0173 177.3281 76 T 4.2815 7.4910 109.4474 60.7726 69.8251 174.6083 77 Q 4.0109 10.1344 122.6856 58.0951 28.6713 176.4507 78 Q 4.6434 7.7305 113.2672 53.8716 31.4476 174.8517 79 C 4.1425 8.3866 117.1567 61.5277 31.8426 173.5514 80 S 4.1588 7.7909 114.9634 57.4561 62.4162 171.8965 81 P 4.4697 0.0000 0.0000 64.1809 31.9239 175.5566 82 Q 4.9181 7.2745 115.4105 54.2372 33.0664 174.3328 83 W 4.5618 8.8540 120.9529 55.8046 30.2183 177.9416 84 T 4.0681 8.6406 109.5228 64.3367 68.2886 174.9218 85 D 4.5438 8.2749 119.9591 53.4236 39.7797 177.1734 86 G 4.0195 8.3187 109.0527 45.4612 0.0000 174.2077 87 S 4.5234 8.6504 115.2583 57.5088 64.0872 174.2255 88 S 4.5925 8.4578 118.0424 58.6203 63.2242 174.4832 89 V 4.1986 8.2304 123.9624 62.3237 30.9242 174.6396 90 V 4.2442 8.4948 124.2830 64.5313 33.5316 174.9190 91 Y 4.4550 7.9830 119.8076 57.2132 39.4577 174.3878 92 E 4.5525 7.5432 124.6135 54.9641 33.8953 174.7246 93 N 4.8486 8.0522 119.1938 52.5408 39.2546 175.0791 94 V 3.6631 8.3510 118.5152 62.6161 32.3998 174.5474 95 D 4.3615 8.8222 127.6771 56.7674 41.0959 176.5916 96 E 4.4183 7.6613 124.6647 53.5034 30.7487 172.6941 97 P 4.2759 0.0000 0.0000 62.7219 31.8964 177.0317 98 T 4.4713 8.1644 112.0980 59.8055 68.9166 173.3302 99 K 4.3906 8.1417 125.9412 56.4997 34.3651 176.0150 100 C 4.7551 7.7134 118.4926 54.9152 37.3780 172.8830 101 F 5.5722 8.8251 120.3238 56.1651 42.1006 174.7545 102 G 4.7345 8.9462 107.5983 44.7614 0.0000 171.7131 103 L 5.0024 9.2323 121.1388 54.4330 42.8652 176.3721 104 D 4.9410 9.4953 125.4088 53.9734 41.6425 177.3625 105 V 3.3079 9.0177 127.2653 64.9943 31.4945 178.0784 106 H 4.3822 8.4231 116.6780 57.6834 28.7030 176.0195 107 T 4.4123 7.7084 108.7445 60.6003 69.0936 173.8597 108 E 3.5453 8.2537 118.7924 58.4312 27.1236 174.2327 109 Y 4.0084 7.8963 110.0833 59.3304 36.2954 171.7824 110 R 4.2367 7.8367 122.3362 57.8647 30.6524 175.5909 111 T 4.6970 7.9841 106.8615 59.5466 72.6250 172.6994 112 W 5.7152 8.5934 120.6743 55.5758 31.4747 175.8207 113 T 5.0361 9.1197 117.1423 60.2951 70.8797 172.2454 114 D 4.2132 8.6397 126.6185 52.7691 40.5179 175.3587 115 L 4.9208 9.0489 121.4312 52.0294 47.1852 174.0943 116 P 4.5741 0.0000 0.0000 62.7101 31.9630 178.7421 117 C 4.1005 8.9741 121.1802 59.5972 40.2680 175.3141 118 G 3.8318 7.9800 106.0582 45.7106 0.0000 173.2665 119 E 4.2926 8.5336 122.4509 56.0120 31.1077 175.6389 120 K 4.8919 8.6443 125.5076 55.5526 33.1863 175.6044 121 N 4.8984 9.0104 121.8637 50.4010 43.7481 172.3777 122 P 4.8804 0.0000 0.0000 63.0300 33.4400 174.4011 123 F 5.2213 8.1898 114.0107 55.8124 42.1510 172.8387 124 I 4.9165 8.5503 118.5248 59.5688 40.4939 173.6290 125 C 5.4852 9.1493 126.7765 55.7999 40.8129 172.6918 126 K 5.0895 9.1808 122.2675 54.9539 35.8125 176.2547 127 S 4.3063 8.9895 120.9785 58.7248 63.2817 173.7307 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 4 C 8.45 4.60 0.00 3.08 3.19 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 5 L 7.78 4.05 0.00 1.59 1.78 0.56 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 6 P 0.00 4.33 0.00 2.22 2.25 0.00 3.78 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.01 0.00 7 D 8.30 4.85 0.00 2.79 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 8 W 8.26 4.85 0.00 3.30 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 9 S 9.70 5.17 0.00 4.07 4.06 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 10 S 8.73 5.46 0.00 3.93 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 11 Y 9.72 4.16 0.00 1.71 2.39 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 0.00 0.00 0.00 12 K 9.00 3.54 0.00 1.43 1.73 0.00 1.64 0.00 0.00 1.21 0.00 0.00 2.85 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.10 0.64 7.81 13 G 8.36 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 14 H 8.54 5.10 0.00 3.48 2.89 0.00 5.77 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 C 9.25 5.83 0.00 2.84 3.23 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 0.00 16 Y 10.03 5.68 0.00 3.05 2.91 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 17 K 8.24 4.15 0.00 0.79 0.74 0.00 0.79 0.00 0.00 0.87 0.00 0.00 2.30 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.21 7.81 18 V 7.73 4.27 1.76 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 0.62 0.00 0.00 0.67 0.00 0.00 19 F 8.61 4.25 0.00 1.51 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 0.00 0.00 0.00 0.00 20 K 8.56 3.90 0.00 1.64 1.77 0.00 1.69 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.30 1.26 7.81 21 K 7.71 4.06 0.00 1.68 1.78 0.00 1.31 0.00 0.00 0.61 0.00 0.00 2.60 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.21 1.31 7.81 22 V 8.37 4.02 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 0.29 0.00 0.00 0.85 0.00 0.00 23 G 8.85 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 0.00 0.00 0.00 0.00 24 T 8.34 5.13 4.43 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 1.31 0.00 0.00 25 W 8.17 2.81 0.00 1.78 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 26 E 8.11 3.79 0.00 2.12 1.89 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 2.35 2.48 0.00 27 D 7.75 4.20 0.00 2.69 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 28 A 7.68 2.65 0.43 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 29 E 7.28 3.49 0.00 1.16 1.53 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 2.01 2.19 0.00 30 K 7.68 3.83 0.00 1.92 1.76 0.00 1.65 0.00 0.00 1.52 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.48 7.81 31 F 8.19 3.89 0.00 2.99 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 32 C 8.32 4.48 0.00 3.19 3.24 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 33 V 7.87 4.03 2.16 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 1.30 0.00 0.00 0.91 0.00 0.00 34 E 7.90 3.78 0.00 1.80 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 2.03 2.19 0.00 35 N 7.45 4.78 0.00 2.93 2.98 0.00 0.00 6.99 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 36 S 8.26 3.73 0.00 3.85 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 37 G 7.93 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 H 8.87 5.23 0.00 3.08 3.11 0.00 5.63 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 L 8.85 4.54 0.00 1.36 1.56 -0.12 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 40 A 9.01 4.28 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 0.00 0.00 0.00 0.00 0.00 41 S 8.73 4.97 0.00 3.99 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 42 I 8.29 4.74 2.28 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.79 1.24 0.00 0.00 43 D 9.47 4.94 0.00 2.69 2.75 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 44 S 7.61 4.74 0.00 4.11 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 45 K 8.65 3.92 0.00 1.89 1.87 0.00 1.60 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.58 7.81 46 E 8.18 3.98 0.00 2.16 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 0.00 2.58 2.47 0.00 47 E 8.41 3.79 0.00 2.30 2.21 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 2.44 2.40 0.00 48 A 8.42 4.13 1.50 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 0.00 0.00 49 D 8.42 4.31 0.00 2.89 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 0.00 0.00 0.00 0.00 50 F 7.82 3.97 0.00 2.50 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 51 V 7.66 3.06 2.20 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 0.95 0.00 0.00 0.98 0.00 0.00 52 T 8.14 3.91 4.41 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 1.37 0.00 0.00 53 K 7.76 3.89 0.00 1.89 1.80 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.36 1.42 7.81 54 L 7.61 3.63 0.00 0.90 1.27 0.75 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 55 A 7.84 3.82 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 56 S 8.13 4.15 0.00 4.09 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 57 Q 7.71 4.37 0.00 2.08 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.77 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 58 T 7.32 4.41 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 1.01 0.00 0.00 59 L 7.32 4.66 0.00 1.61 1.48 0.53 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 *62 F 8.33 4.47 0.00 2.83 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 63 V 8.03 4.25 1.64 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 0.63 0.00 0.00 0.33 0.00 0.00 64 Y 7.68 5.02 0.00 2.81 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 65 D 8.72 5.09 0.00 2.32 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 66 A 8.21 4.72 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 W 8.88 5.18 0.00 3.41 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 I 8.95 4.58 1.88 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.21 0.89 0.00 0.00 69 G 8.93 4.08 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 0.00 70 L 7.82 4.66 0.00 1.49 1.42 0.81 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 71 R 8.22 4.86 0.00 0.83 1.44 0.00 2.78 0.00 0.00 2.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.26 0.00 72 D 9.24 4.60 0.00 2.85 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 73 E 8.81 4.25 0.00 1.92 1.91 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 2.26 2.33 0.00 74 S 8.08 4.29 0.00 3.99 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 K 8.43 4.09 0.00 1.87 1.96 0.00 1.56 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.38 1.40 7.81 76 T 7.49 4.28 4.50 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 1.18 0.00 0.00 77 Q 10.13 4.01 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.70 0.00 0.00 0.00 0.00 0.00 2.33 2.23 0.00 78 Q 7.73 4.64 0.00 2.03 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.03 0.00 0.00 0.00 0.00 0.00 2.08 2.34 0.00 79 C 8.39 4.14 0.00 3.13 2.97 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.79 4.16 0.00 3.74 3.53 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 81 P 0.00 4.47 0.00 2.24 2.24 0.00 3.67 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.96 0.00 82 Q 7.27 4.92 0.00 2.06 2.04 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 2.33 2.33 0.00 83 W 8.85 4.56 0.00 3.60 3.18 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 84 T 8.64 4.07 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 1.29 0.00 0.00 85 D 8.27 4.54 0.00 2.82 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 G 8.32 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 87 S 8.65 4.52 0.00 4.08 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 88 S 8.46 4.59 0.00 3.96 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 89 V 8.23 4.20 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.40 0.00 0.00 90 V 8.49 4.24 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 0.94 0.00 0.00 1.01 0.00 0.00 91 Y 7.98 4.46 0.00 3.01 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 92 E 7.54 4.55 0.00 1.75 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 2.08 2.20 0.00 93 N 8.05 4.85 0.00 2.44 2.69 0.00 0.00 6.99 7.71 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 94 V 8.35 3.66 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 0.77 0.00 0.00 0.85 0.00 0.00 95 D 8.82 4.36 0.00 2.68 2.69 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 96 E 7.66 4.42 0.00 1.89 1.79 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 2.18 2.31 0.00 97 P 0.00 4.28 0.00 2.02 2.10 0.00 3.64 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 1.98 2.02 0.00 98 T 8.16 4.47 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 1.22 0.00 0.00 99 K 8.14 4.39 0.00 1.51 1.84 0.00 1.54 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.32 7.81 100 C 7.71 4.76 0.00 2.43 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 0.00 0.00 0.00 101 F 8.83 5.57 0.00 3.13 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 0.00 102 G 8.95 4.73 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 0.00 0.00 0.00 103 L 9.23 5.00 0.00 1.61 1.90 0.85 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 104 D 9.50 4.94 0.00 2.87 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 0.00 105 V 9.02 3.31 2.29 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 0.44 0.00 0.00 1.00 0.00 0.00 106 H 8.42 4.38 0.00 3.29 3.35 0.00 5.62 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 T 7.71 4.41 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 1.23 0.00 0.00 108 E 8.25 3.55 0.00 2.04 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 0.00 1.63 1.98 0.00 109 Y 7.90 4.01 0.00 3.26 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 0.00 110 R 7.84 4.24 0.00 1.82 2.02 0.00 3.25 0.00 0.00 3.30 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 111 T 7.98 4.70 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 1.18 0.00 0.00 112 W 8.59 5.72 0.00 3.41 3.19 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 0.00 113 T 9.12 5.04 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 1.29 0.00 0.00 114 D 8.64 4.21 0.00 2.41 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 0.00 115 L 9.05 4.92 0.00 1.75 1.60 0.66 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 116 P 0.00 4.57 0.00 2.26 2.01 0.00 3.67 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 2.14 2.11 0.00 117 C 8.97 4.10 0.00 2.87 2.97 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.98 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 E 8.53 4.29 0.00 2.30 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 0.00 2.33 2.35 0.00 120 K 8.64 4.89 0.00 1.69 1.74 0.00 1.76 0.00 0.00 1.72 0.00 0.00 2.93 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.52 7.81 121 N 9.01 4.90 0.00 1.57 2.37 0.00 0.00 6.33 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 0.00 122 P 0.00 4.88 0.00 1.96 2.01 0.00 3.62 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.87 0.00 123 F 8.19 5.22 0.00 3.21 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 0.00 124 I 8.55 4.92 1.81 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 1.34 1.82 1.05 0.00 0.00 125 C 9.15 5.49 0.00 3.16 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 0.00 126 K 9.18 5.09 0.00 1.67 1.58 0.00 1.61 0.00 0.00 1.67 0.00 0.00 2.53 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.16 0.69 7.81 127 S 8.99 4.31 0.00 3.99 3.89 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 * Residues marked with a * may have inaccurate shift predictions.