NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.8536 8.4104 110.3433 62.7069 70.2215 171.6633 4 A 3.9532 9.0797 126.6086 52.2618 16.4143 177.6893 5 Y 4.4020 8.5555 111.1592 58.0112 39.2154 174.2262 6 D 4.7926 7.7624 121.4470 55.2937 42.9774 178.6569 7 V 3.6309 7.9357 119.0756 65.7113 32.5284 175.8696 8 I 4.2886 7.6334 120.2108 60.4281 37.6155 174.9151 9 L 4.5088 8.7521 128.4385 55.9234 41.6423 178.3239 10 A 4.9870 7.7872 119.0803 50.6311 23.4414 171.5199 11 P 4.3566 0.0000 0.0000 61.6871 33.7653 174.9515 12 V 2.3966 7.7460 108.6601 60.8612 30.6693 176.9842 13 L 4.0328 8.1265 122.5833 54.0484 39.2569 173.6534 14 S 4.2866 5.8100 113.1385 56.3803 66.9488 175.6871 15 E 3.7180 8.1916 121.9519 59.1669 29.1676 178.3302 16 K 3.6368 7.8792 119.1190 59.5228 32.3091 178.2511 17 A 3.6537 7.0187 119.5122 55.0555 18.4780 178.8491 18 Y 2.7177 6.6219 114.5658 60.9787 37.5327 179.1021 19 A 4.0653 7.8030 121.2376 54.9030 18.1011 179.7320 20 G 3.0731 7.6967 103.6701 47.3172 0.0000 175.7139 21 F 4.0939 7.8283 120.4872 60.1856 38.6351 176.9480 22 A 4.2492 7.1313 117.6802 53.4560 17.9142 176.1112 23 E 4.7114 8.2816 116.1289 55.0453 34.0716 176.9824 24 G 4.4043 8.5343 104.6371 46.0231 0.0000 173.2571 25 K 5.6770 8.9895 121.4621 53.7635 34.2089 175.4122 26 Y 4.9004 8.8086 123.1062 56.1207 41.1021 174.8046 27 T 4.9316 8.3028 113.9017 60.1418 71.4118 173.1640 28 F 4.8156 9.6764 125.5743 54.9249 42.5526 174.9226 29 W 4.7949 8.6887 122.6345 57.7889 29.1685 176.2763 30 V 4.4768 8.1503 118.0732 59.8343 33.7240 175.2986 31 H 4.5432 8.7606 121.9154 55.6196 29.9942 174.7586 32 P 4.1517 0.0000 0.0000 65.4585 31.0146 177.0625 33 K 4.1999 7.1004 114.9962 56.1248 32.5971 176.6024 34 A 4.7324 7.5295 121.8028 51.8734 19.1093 177.8831 35 T 4.5039 8.2004 116.4303 62.3410 71.5317 176.5692 36 K 4.1200 8.4070 121.2031 59.3446 31.9521 179.8932 37 T 3.9908 7.7222 115.7654 66.2807 68.9442 176.5870 38 E 3.9736 8.1287 120.3577 58.8946 29.4651 178.8325 39 I 3.6888 7.8527 120.2286 64.4434 37.3712 177.3270 40 K 3.5184 8.2129 116.3224 60.1048 31.5773 177.4971 41 N 4.1211 6.8235 122.2264 55.8151 39.5683 175.1434 42 A 4.2744 8.4202 122.1047 53.3786 20.1242 178.7094 43 V 3.4633 8.0378 115.4440 66.1246 31.6371 178.0596 44 E 4.1814 8.4601 119.6906 58.1076 29.3827 178.5317 45 T 4.7352 7.8153 107.3398 61.6693 69.5392 175.3003 46 A 4.2005 8.0543 124.9797 53.7943 21.1377 177.7907 47 F 4.4322 8.0410 110.2052 55.8598 40.9618 174.4323 48 K 4.4143 7.9845 119.2497 55.5556 28.6073 173.9098 49 V 4.2638 7.3189 111.5658 59.6245 35.8414 172.7326 50 K 4.2026 8.8321 126.6046 56.6646 33.2158 175.5250 51 V 4.6542 8.1539 125.9238 61.4260 32.8795 175.3225 52 V 4.3714 9.0310 125.9454 63.1299 33.9864 175.6896 53 K 4.5304 7.8643 121.4879 55.2014 35.5036 174.3773 54 V 4.8737 8.5350 127.3834 61.1879 33.8417 174.2073 55 N 5.1664 8.9095 124.5751 51.8254 41.9740 174.0598 56 T 5.3104 9.8066 113.8428 59.1760 72.1171 172.6171 57 L 5.1574 7.9351 126.7991 56.0004 40.8525 172.8461 58 H 5.0887 8.2888 119.8126 54.9267 31.3753 174.8456 59 V 4.2661 9.0874 118.8891 61.2209 34.1252 174.0291 60 R 4.9509 8.3080 129.2334 56.1136 30.2363 176.2485 61 G 3.9837 8.9572 113.9257 46.7639 0.0000 172.3620 62 K 4.5927 8.5913 121.0816 55.5698 34.3211 175.7397 63 K 4.8150 8.4082 120.0892 54.5285 34.0728 175.6314 64 K 4.5175 8.5760 126.2378 54.8412 35.0624 175.4555 65 R 5.2743 8.2080 122.9714 53.2674 30.8664 173.8524 66 L 4.2112 8.3612 126.5683 54.8941 42.4952 177.8693 67 G 4.0577 8.2487 119.7907 46.9088 0.0000 173.5619 68 R 4.2810 8.8928 120.9541 55.7445 30.0969 175.2066 69 Y 4.4128 7.7753 117.8325 56.6012 39.2434 174.1436 70 L 4.9891 8.4715 125.7520 53.3062 44.1984 175.5012 71 G 4.2356 9.0270 111.4990 45.8639 0.0000 170.8809 72 K 5.0805 8.3713 118.4589 54.8685 35.8654 176.8715 73 R 4.2593 8.7658 125.0789 55.3931 31.0124 174.6422 74 P 4.4752 0.0000 0.0000 62.8039 32.2908 176.2048 75 D 4.8436 8.5668 121.3168 54.8339 42.5048 175.1553 76 R 4.8171 8.6839 118.1205 54.7813 35.1431 173.9090 77 K 5.0602 8.1781 121.1822 54.8338 36.1121 174.3840 78 K 4.9628 8.2946 117.7018 56.0796 35.9618 174.1821 79 A 5.7503 8.9891 124.2540 49.1125 22.9275 174.6699 80 I 4.8340 8.3296 113.2284 59.1902 40.7609 174.6029 81 V 4.6996 10.2739 118.4123 59.9724 34.2321 175.2215 82 Q 4.9036 9.3313 128.3055 54.3897 28.0143 173.7270 83 V 4.1425 9.3583 116.3601 60.8443 32.6250 175.4733 84 A 4.1721 9.2514 127.8512 50.2641 20.3228 175.1663 85 P 4.3665 0.0000 0.0000 64.4366 31.5097 177.0236 86 G 3.9296 9.2044 111.8077 45.0599 0.0000 172.5742 87 Q 4.5969 7.0735 118.0030 54.8056 31.0827 174.3819 88 K 4.4469 7.8830 114.5422 56.9789 34.4218 174.2137 89 I 4.1805 7.5474 121.3577 60.0569 38.7583 175.9194 90 E 4.1812 8.7698 123.6539 58.8070 30.1280 178.4843 91 A 4.0278 8.1833 119.7038 54.8748 18.5995 178.1228 92 L 4.3538 7.6457 114.2444 56.2234 42.7501 179.0476 93 E 4.1849 8.0412 116.9659 56.4818 28.5021 178.5762 94 G 3.5894 8.8112 112.1559 48.1444 0.0000 175.4981 *95 L 4.1219 7.6902 124.1797 53.7691 41.6291 178.5925 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 3 T 8.41 4.85 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 4 A 9.08 3.95 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 5 Y 8.56 4.40 0.00 2.92 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 6 D 7.76 4.79 0.00 2.69 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 7 V 7.94 3.63 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 1.01 0.00 0.00 0.95 0.00 0.00 8 I 7.63 4.29 1.89 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.45 0.88 0.00 0.00 9 L 8.75 4.51 0.00 1.88 1.73 1.04 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 10 A 7.79 4.99 1.42 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 0.00 0.00 0.00 11 P 0.00 4.36 0.00 2.08 2.20 0.00 3.99 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 12 V 7.75 2.40 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 0.54 0.00 0.00 1.12 0.00 0.00 13 L 8.13 4.03 0.00 1.88 1.84 1.06 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 14 S 5.81 4.29 0.00 3.80 3.72 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 15 E 8.19 3.72 0.00 2.04 1.86 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 2.38 2.40 0.00 16 K 7.88 3.64 0.00 1.65 1.67 0.00 1.74 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.26 1.41 7.81 17 A 7.02 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 Y 6.62 2.72 0.00 2.84 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 19 A 7.80 4.07 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 20 G 7.70 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 0.00 0.00 0.00 21 F 7.83 4.09 0.00 3.06 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 22 A 7.13 4.25 1.21 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 0.00 0.00 0.00 23 E 8.28 4.71 0.00 1.96 1.78 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 2.21 2.28 0.00 24 G 8.53 4.40 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 25 K 8.99 5.68 0.00 1.44 1.67 0.00 1.58 0.00 0.00 1.51 0.00 0.00 2.85 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.34 1.42 7.81 26 Y 8.81 4.90 0.00 3.01 2.58 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 27 T 8.30 4.93 4.04 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 1.04 0.00 0.00 28 F 9.68 4.82 0.00 2.98 3.25 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 29 W 8.69 4.79 0.00 3.41 3.11 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 30 V 8.15 4.48 2.30 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 0.82 0.00 0.00 1.00 0.00 0.00 31 H 8.76 4.54 0.00 3.45 3.22 0.00 5.80 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.15 0.00 2.12 2.11 0.00 3.89 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.96 0.00 33 K 7.10 4.20 0.00 1.74 1.89 0.00 1.77 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.28 1.40 7.81 34 A 7.53 4.73 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 35 T 8.20 4.50 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 1.27 0.00 0.00 36 K 8.41 4.12 0.00 1.78 1.87 0.00 1.79 0.00 0.00 1.91 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.55 1.49 7.81 37 T 7.72 3.99 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 38 E 8.13 3.97 0.00 2.04 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 2.38 2.40 0.00 39 I 7.85 3.69 2.09 0.00 0.00 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 1.69 0.77 0.90 0.00 0.00 40 K 8.21 3.52 0.00 1.78 1.85 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.52 7.81 41 N 6.82 4.12 0.00 2.65 2.85 0.00 0.00 7.02 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 42 A 8.42 4.27 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 43 V 8.04 3.46 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 0.76 0.00 0.00 0.77 0.00 0.00 44 E 8.46 4.18 0.00 2.20 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 2.37 2.40 0.00 45 T 7.82 4.74 4.19 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 1.23 0.00 0.00 46 A 8.05 4.20 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 F 8.04 4.43 0.00 2.88 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 48 K 7.98 4.41 0.00 1.90 1.85 0.00 1.84 0.00 0.00 2.36 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.39 7.81 49 V 7.32 4.26 2.23 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 0.83 0.00 0.00 0.90 0.00 0.00 50 K 8.83 4.20 0.00 1.85 1.68 0.00 1.60 0.00 0.00 1.58 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.40 7.81 51 V 8.15 4.65 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 0.86 0.00 0.00 0.96 0.00 0.00 52 V 9.03 4.37 2.19 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 0.81 0.00 0.00 0.98 0.00 0.00 53 K 7.86 4.53 0.00 1.84 1.60 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.81 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.42 1.45 7.81 54 V 8.54 4.87 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 0.95 0.00 0.00 1.01 0.00 0.00 55 N 8.91 5.17 0.00 2.72 2.66 0.00 0.00 6.23 6.46 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 56 T 9.81 5.31 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 1.25 0.00 0.00 57 L 7.94 5.16 0.00 1.97 1.97 0.99 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 58 H 8.29 5.09 0.00 3.05 3.43 0.00 5.67 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 59 V 9.09 4.27 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 0.97 0.00 0.00 1.11 0.00 0.00 60 R 8.31 4.95 0.00 1.87 1.88 0.00 3.15 0.00 0.00 3.89 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.49 0.00 61 G 8.96 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 62 K 8.59 4.59 0.00 1.72 1.76 0.00 1.62 0.00 0.00 1.87 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.53 1.43 7.81 63 K 8.41 4.81 0.00 1.87 1.79 0.00 1.16 0.00 0.00 1.56 0.00 0.00 2.86 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.29 1.23 7.81 64 K 8.58 4.52 0.00 1.85 1.69 0.00 1.67 0.00 0.00 1.75 0.00 0.00 2.80 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.44 1.42 7.81 65 R 8.21 5.27 0.00 1.76 1.79 0.00 3.10 0.00 0.00 3.81 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 66 L 8.36 4.21 0.00 1.75 1.64 0.90 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.25 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 0.00 0.00 0.00 68 R 8.89 4.28 0.00 1.68 1.94 0.00 2.43 0.00 0.00 2.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.57 0.00 69 Y 7.78 4.41 0.00 3.25 2.95 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 70 L 8.47 4.99 0.00 1.57 1.53 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 71 G 9.03 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 0.00 0.00 0.00 0.00 72 K 8.37 5.08 0.00 1.57 1.77 0.00 1.66 0.00 0.00 1.71 0.00 0.00 2.80 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.53 7.81 73 R 8.77 4.26 0.00 1.64 1.83 0.00 3.13 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 74 P 0.00 4.48 0.00 2.00 2.00 0.00 3.70 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.93 0.00 75 D 8.57 4.84 0.00 2.68 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 76 R 8.68 4.82 0.00 1.24 1.31 0.00 2.81 0.00 0.00 2.81 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 1.34 0.00 77 K 8.18 5.06 0.00 1.69 1.90 0.00 1.69 0.00 0.00 2.02 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.34 7.81 78 K 8.29 4.96 0.00 1.76 2.27 0.00 0.67 0.00 0.00 0.90 0.00 0.00 2.86 0.00 0.00 2.56 0.00 0.00 0.00 0.00 1.37 1.26 7.81 79 A 8.99 5.75 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 80 I 8.33 4.83 1.82 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.94 0.86 0.00 0.00 81 V 10.27 4.70 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 0.78 0.00 0.00 1.31 0.00 0.00 82 Q 9.33 4.90 0.00 2.15 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.99 0.00 0.00 0.00 0.00 0.00 2.30 2.39 0.00 83 V 9.36 4.14 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 0.68 0.00 0.00 1.28 0.00 0.00 84 A 9.25 4.17 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 85 P 0.00 4.37 0.00 2.20 2.10 0.00 3.76 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 86 G 9.20 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 87 Q 7.07 4.60 0.00 2.21 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.70 0.00 0.00 0.00 0.00 0.00 2.33 2.29 0.00 88 K 7.88 4.45 0.00 1.88 1.84 0.00 1.59 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.25 1.38 7.81 89 I 7.55 4.18 0.56 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 -0.36 0.51 0.00 0.00 90 E 8.77 4.18 0.00 2.03 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 2.36 2.25 0.00 91 A 8.18 4.03 1.67 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 0.00 0.00 92 L 7.65 4.35 0.00 1.32 1.08 0.56 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 93 E 8.04 4.18 0.00 2.03 1.95 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 2.63 2.37 0.00 94 G 8.81 3.59 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 0.00 *95 L 7.69 4.12 0.00 1.42 1.50 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.