NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.5057 8.2116 122.9764 48.7972 20.3557 175.4804 2 K 3.4731 7.9628 123.1993 54.3367 30.0770 174.0746 3 Q 3.5611 7.6052 121.8830 58.1997 30.4749 177.4239 4 S 4.0321 7.9826 115.1084 62.2298 62.7190 176.2885 5 M 4.1576 8.0149 119.7882 58.2567 31.6900 178.0333 6 K 3.9662 8.6238 120.2688 59.2810 32.0758 178.2120 7 A 4.0955 8.5312 119.6995 53.3336 18.3003 179.4968 8 R 3.8982 7.5960 117.7280 59.3194 29.7290 178.9184 9 E 3.9507 8.1422 117.6784 59.2576 29.4940 179.0171 10 V 3.6409 7.2173 118.2873 66.3252 31.4306 178.3322 11 K 3.9966 7.8157 117.1211 59.3461 31.7692 179.0559 12 R 3.8813 7.5827 117.7037 59.9013 30.0957 178.0414 13 V 3.6555 9.0834 117.8330 65.9165 31.5322 177.3639 14 A 4.6083 7.7196 121.4786 54.8379 18.0292 179.3266 15 L 3.9807 8.0961 115.9090 58.8055 41.8940 178.9518 16 A 4.5327 8.7964 122.1996 54.2922 18.2814 178.8824 17 D 4.5465 8.1785 114.8918 56.5148 39.2103 179.8058 18 K 4.3449 7.8701 115.7159 56.8611 31.8780 176.6501 19 Y 4.3732 8.4625 120.6630 58.3118 46.3985 174.0917 20 F 4.2351 9.2587 130.3996 58.4741 40.8840 174.3229 21 A 4.7043 8.8299 134.2333 52.3259 25.0426 178.3389 22 K 4.0674 9.3901 120.5023 58.5955 33.3094 178.6219 23 R 4.1228 7.9139 116.9007 58.0918 30.6768 178.3464 24 A 4.3019 7.8011 120.2889 55.5547 18.4756 178.4499 25 E 4.2884 8.2500 111.7413 56.9366 29.3624 178.1293 26 L 3.9720 7.7911 122.7068 58.9613 41.8542 178.4250 27 K 3.8847 8.2964 116.5876 59.9393 32.0205 178.3699 28 A 4.4150 7.7615 123.8258 52.6463 18.8819 179.6525 29 I 4.2649 7.7257 117.0596 60.9119 38.2699 180.2274 30 I 4.1463 8.6778 125.4863 60.7293 34.2207 173.2406 31 S 4.6111 7.5798 121.8822 58.3802 69.5250 174.6913 32 D 4.8546 7.5761 119.1362 52.7797 42.6517 177.5868 33 V 4.2517 8.1053 115.6882 61.7034 28.8469 174.4840 34 N 4.7119 7.5450 117.6621 54.8469 41.1818 176.7696 35 A 3.9648 7.8692 120.5935 55.2888 18.7978 178.2768 *40 R 4.2836 7.4555 113.6867 55.8056 30.5988 173.5838 41 W 4.2025 8.2198 130.8456 56.7420 31.7884 176.6776 42 N 4.2432 8.3406 123.1236 56.5877 37.6682 175.8165 43 A 4.0467 7.9275 120.7595 55.9752 18.4839 179.1471 44 V 3.7212 7.8239 114.0439 65.3920 31.5618 178.4519 45 L 4.0422 8.0118 118.3035 57.8737 41.2699 178.7922 46 K 4.8533 8.1905 115.6174 56.6203 32.2077 177.7537 47 L 4.5276 7.8071 123.4271 55.8881 44.0579 177.3465 48 Q 4.4369 7.5502 117.8366 56.2611 27.4728 178.0942 49 T 4.5992 7.1385 107.2134 59.6620 69.0980 171.7920 50 L 4.4325 7.8354 128.7097 56.5281 46.3514 174.8225 51 P 4.0262 0.0000 0.0000 62.5515 32.5221 177.1981 52 R 4.0006 7.7856 118.6964 56.4988 29.9727 176.9819 53 D 4.4489 8.4005 121.6403 56.5701 42.3511 177.0467 54 S 4.3604 7.9979 113.4424 60.0920 63.0893 173.9374 55 S 3.9492 7.9114 115.3465 57.8155 62.8838 173.1653 56 P 4.1781 0.0000 0.0000 66.0891 31.2435 178.7775 57 S 4.1234 7.9405 114.4805 60.3238 62.8572 175.3095 58 R 4.3451 7.4143 117.0678 56.3459 29.5028 176.0579 59 Q 4.7194 7.6276 116.8650 54.3227 31.0243 175.4867 60 R 4.3728 8.4220 116.3534 55.3477 31.5890 175.4656 61 N 4.7198 8.5906 120.5705 52.1376 37.5656 172.9344 62 R 4.1062 8.5974 121.1117 55.0697 30.2444 175.9282 63 C 4.2413 7.8182 119.1360 59.6402 32.1345 174.5594 64 R 3.8190 8.3503 128.4464 59.5731 29.3284 177.0689 65 Q 3.8364 7.6285 116.8457 59.6080 29.4307 177.8913 66 T 4.0733 7.5804 109.2833 64.8442 70.3523 175.5262 67 G 4.6849 7.9107 113.3908 45.2353 0.0000 171.6547 68 R 4.6095 7.7907 120.1207 54.0904 33.4020 173.2437 69 P 4.5447 0.0000 0.0000 62.1932 31.4230 175.5530 70 H 3.7845 9.1319 111.9535 56.9497 28.4827 174.4604 71 G 3.6862 8.2413 114.7142 47.6056 0.0000 172.5606 72 F 5.3997 8.1970 123.7411 55.4857 43.6933 175.6430 73 L 4.6181 8.8752 112.5196 55.2988 43.2841 176.4313 74 R 3.6101 8.1333 121.9028 58.9280 30.3533 177.4507 75 K 3.5843 7.5135 116.8045 60.0081 31.8748 177.2786 76 F 4.5896 7.3874 116.5211 57.9321 39.6416 177.1761 77 G 4.5804 8.9754 108.9585 46.0435 0.0000 172.9689 78 L 4.8516 7.3736 117.6886 51.9293 45.1419 176.6384 79 S 4.9889 8.5234 114.5537 57.4220 63.7016 175.3585 80 R 3.9561 8.5463 117.3252 59.5183 28.7477 178.1292 81 I 3.9182 7.2390 119.8590 62.7335 37.0751 177.7320 82 K 3.8552 8.2614 118.7438 60.3728 32.2722 178.6884 83 V 3.3991 7.9100 117.6136 66.3935 31.1394 177.6712 84 R 3.8262 7.9029 117.0594 59.8806 29.7998 178.2552 85 E 3.8169 8.1854 116.7384 59.7579 29.8183 179.0800 86 A 4.2363 8.1486 119.4906 53.7197 18.8695 179.0182 87 A 3.8043 8.2374 120.2815 56.0733 18.1444 179.7758 88 M 4.0796 7.5920 115.0455 57.9216 30.8923 178.4518 89 R 4.2022 8.0505 117.0857 56.2548 28.8778 177.7902 90 G 3.8059 7.7337 107.4142 46.2060 0.0000 175.4639 91 E 3.9472 7.5688 117.6653 57.4033 29.8101 176.8931 92 I 4.3915 7.0209 121.2015 58.3503 39.1350 173.0390 93 P 4.5279 0.0000 0.0000 63.5999 32.0476 175.1161 94 G 4.2026 8.9997 111.2383 45.3373 0.0000 173.8860 95 L 3.9750 6.7864 118.2680 55.2850 42.3206 175.8962 96 K 4.4311 8.0883 125.0830 55.1590 35.0742 174.4738 97 K 3.9952 8.5205 119.4947 56.0507 31.5950 177.1493 98 A 4.5379 8.6070 128.7747 51.4910 18.2705 176.4184 99 S 4.4510 8.2940 116.0509 57.1672 66.2187 174.2953 100 W 4.1471 7.8454 118.1553 57.5079 27.2014 174.1480 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 8.21 4.51 1.23 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 0.00 0.00 2 K 7.96 3.47 0.00 2.02 1.83 0.00 1.78 0.00 0.00 1.79 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.43 7.81 3 Q 7.61 3.56 0.00 2.21 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.55 0.00 0.00 0.00 0.00 0.00 2.43 2.54 0.00 4 S 7.98 4.03 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 5 M 8.01 4.16 0.00 2.10 2.05 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.55 0.00 6 K 8.62 3.97 0.00 2.03 1.94 0.00 1.78 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.47 7.81 7 A 8.53 4.10 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 8 R 7.60 3.90 0.00 2.00 2.00 0.00 3.14 0.00 0.00 3.18 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.86 0.00 9 E 8.14 3.95 0.00 2.04 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 2.41 2.38 0.00 10 V 7.22 3.64 2.10 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 1.05 0.00 0.00 0.99 0.00 0.00 11 K 7.82 4.00 0.00 1.83 1.84 0.00 1.78 0.00 0.00 1.59 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.59 7.81 12 R 7.58 3.88 0.00 1.99 2.11 0.00 3.28 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.97 0.00 13 V 9.08 3.66 2.24 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 1.05 0.00 0.00 1.06 0.00 0.00 14 A 7.72 4.61 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 15 L 8.10 3.98 0.00 1.86 1.75 0.93 0.74 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 16 A 8.80 4.53 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 17 D 8.18 4.55 0.00 2.93 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 18 K 7.87 4.34 0.00 1.87 1.95 0.00 1.77 0.00 0.00 1.68 0.00 0.00 3.04 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.52 1.59 7.81 19 Y 8.46 4.37 0.00 3.16 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 20 F 9.26 4.24 0.00 3.22 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 21 A 8.83 4.70 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 22 K 9.39 4.07 0.00 1.73 1.88 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.77 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.44 7.81 23 R 7.91 4.12 0.00 1.84 1.92 0.00 3.05 0.00 0.00 3.10 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 24 A 7.80 4.30 1.55 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 0.00 0.00 25 E 8.25 4.29 0.00 2.04 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 2.43 2.26 0.00 26 L 7.79 3.97 0.00 1.97 1.80 1.01 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.30 3.88 0.00 1.79 1.83 0.00 1.83 0.00 0.00 1.73 0.00 0.00 3.11 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.75 7.81 28 A 7.76 4.41 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 29 I 7.73 4.26 2.01 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 1.54 0.83 0.92 0.00 0.00 30 I 8.68 4.15 1.96 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 1.31 0.49 1.13 0.00 0.00 31 S 7.58 4.61 0.00 3.84 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 32 D 7.58 4.85 0.00 2.81 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 33 V 8.11 4.25 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 0.71 0.00 0.00 0.94 0.00 0.00 34 N 7.54 4.71 0.00 2.87 2.79 0.00 0.00 7.20 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 35 A 7.87 3.96 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 *40 R 7.46 4.28 0.00 1.87 2.00 0.00 3.46 0.00 0.00 3.22 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 41 W 8.22 4.20 0.00 3.39 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 42 N 8.34 4.24 0.00 2.34 2.70 0.00 0.00 7.01 7.49 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 43 A 7.93 4.05 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 44 V 7.82 3.72 2.36 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 1.28 0.00 0.00 1.06 0.00 0.00 45 L 8.01 4.04 0.00 1.84 1.71 0.96 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 46 K 8.19 4.85 0.00 1.76 1.81 0.00 1.64 0.00 0.00 1.61 0.00 0.00 3.16 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.61 7.81 47 L 7.81 4.53 0.00 1.79 1.81 0.94 1.08 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 48 Q 7.55 4.44 0.00 2.15 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.85 0.00 0.00 0.00 0.00 0.00 2.43 2.67 0.00 49 T 7.14 4.60 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 50 L 7.84 4.43 0.00 1.71 1.77 1.01 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 51 P 0.00 4.03 0.00 2.42 1.79 0.00 3.83 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 2.14 1.98 0.00 52 R 7.79 4.00 0.00 2.06 1.79 0.00 3.25 0.00 0.00 3.27 7.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 53 D 8.40 4.45 0.00 2.65 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 54 S 8.00 4.36 0.00 3.79 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 55 S 7.91 3.95 0.00 4.01 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 56 P 0.00 4.18 0.00 2.10 2.03 0.00 3.31 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.65 0.00 57 S 7.94 4.12 0.00 3.82 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 58 R 7.41 4.35 0.00 2.07 1.93 0.00 3.30 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 59 Q 7.63 4.72 0.00 2.08 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.74 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 60 R 8.42 4.37 0.00 1.75 2.22 0.00 3.37 0.00 0.00 3.28 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.88 0.00 61 N 8.59 4.72 0.00 2.22 2.97 0.00 0.00 7.00 7.31 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 62 R 8.60 4.11 0.00 2.06 2.02 0.00 3.45 0.00 0.00 3.21 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.81 0.00 63 C 7.82 4.24 0.00 3.01 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 64 R 8.35 3.82 0.00 1.83 1.98 0.00 3.42 0.00 0.00 3.19 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.64 0.00 65 Q 7.63 3.84 0.00 2.04 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.77 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 66 T 7.58 4.07 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 67 G 7.91 4.68 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 0.00 0.00 0.00 68 R 7.79 4.61 0.00 1.73 1.66 0.00 3.12 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.52 0.00 69 P 0.00 4.54 0.00 2.35 2.13 0.00 3.94 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 2.07 2.06 0.00 70 H 9.13 3.78 0.00 3.17 3.22 0.00 5.91 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 G 8.24 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 0.00 0.00 0.00 72 F 8.20 5.40 0.00 2.94 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 73 L 8.88 4.62 0.00 1.86 1.52 1.16 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.13 3.61 0.00 1.73 1.89 0.00 3.32 0.00 0.00 3.05 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 75 K 7.51 3.58 0.00 1.26 0.74 0.00 1.52 0.00 0.00 1.53 0.00 0.00 3.10 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.92 1.19 7.81 76 F 7.39 4.59 0.00 3.23 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 77 G 8.98 4.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 7.37 4.85 0.00 1.60 1.60 1.04 0.83 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 79 S 8.52 4.99 0.00 3.88 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 80 R 8.55 3.96 0.00 2.03 2.26 0.00 2.97 0.00 0.00 3.33 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 81 I 7.24 3.92 1.85 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 1.62 0.46 0.89 0.00 0.00 82 K 8.26 3.86 0.00 1.87 1.90 0.00 1.56 0.00 0.00 1.56 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.53 7.81 83 V 7.91 3.40 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 0.74 0.00 0.00 1.23 0.00 0.00 84 R 7.90 3.83 0.00 2.04 2.09 0.00 3.19 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 85 E 8.19 3.82 0.00 2.13 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 2.46 2.51 0.00 86 A 8.15 4.24 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 87 A 8.24 3.80 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 88 M 7.59 4.08 0.00 1.93 2.11 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.70 0.00 89 R 8.05 4.20 0.00 2.00 1.94 0.00 3.31 0.00 0.00 3.16 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.77 0.00 90 G 7.73 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 0.00 0.00 0.00 91 E 7.57 3.95 0.00 1.90 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 2.41 2.39 0.00 92 I 7.02 4.39 1.67 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.79 0.68 0.00 0.00 93 P 0.00 4.53 0.00 2.20 2.07 0.00 3.78 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.98 0.00 94 G 9.00 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 95 L 6.79 3.97 0.00 1.62 1.55 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 96 K 8.09 4.43 0.00 1.73 1.69 0.00 1.85 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.48 7.81 97 K 8.52 4.00 0.00 1.81 1.79 0.00 1.82 0.00 0.00 1.72 0.00 0.00 2.78 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.39 7.81 98 A 8.61 4.54 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 0.00 0.00 0.00 0.00 0.00 99 S 8.29 4.45 0.00 3.86 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 0.00 100 W 7.85 4.15 0.00 3.37 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 * Residues marked with a * may have inaccurate shift predictions.