NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 E 4.2552 8.5445 116.7535 55.0837 31.6763 175.2567 9 S 4.1367 8.4561 113.7155 59.1147 62.7662 173.8322 10 I 3.8198 8.6348 117.9379 64.9000 36.1612 177.8776 11 N 4.6172 8.3246 117.7505 54.2519 37.6463 178.2711 12 Q 4.7338 7.8782 120.1880 58.8278 30.5704 183.6426 13 K 4.3487 8.5184 126.1822 60.5969 31.7464 184.3949 14 L 4.3883 8.3556 122.0286 58.1738 40.6115 181.2554 15 A 4.4066 7.5183 120.7532 55.9470 18.8487 180.0391 16 L 4.1738 7.9564 123.1226 60.1989 40.7486 183.1850 17 V 3.9500 7.9954 123.3037 66.7310 31.1540 180.2176 18 I 4.4957 7.3708 120.4893 62.7501 35.7280 179.1625 19 K 4.7738 8.4822 125.2245 55.6837 34.5116 179.6650 20 S 4.7488 7.2743 112.0142 58.0319 65.7250 178.0755 21 G 4.4275 8.1908 108.6102 47.8867 0.0000 174.7906 22 K 4.4194 8.1453 117.5348 52.7355 32.6745 169.6996 *23 Y 4.3526 8.2706 123.5727 57.5246 37.3007 177.3610 24 T 3.8520 8.8788 121.0179 62.3863 68.8278 170.9501 25 L 3.4677 7.9292 121.3597 55.4414 37.8004 175.1645 26 G 3.9808 7.6649 113.6464 47.9510 0.0000 170.5629 *27 Y 4.7739 8.0110 124.5021 57.4410 39.7112 169.5353 28 K 4.4944 7.4633 119.5625 57.4873 34.6157 184.6786 29 S 4.3358 8.1370 121.0831 63.1772 62.0038 179.4474 30 T 4.1422 8.0820 117.9649 67.5744 68.3860 182.8261 31 V 3.9187 7.9143 124.7873 66.5048 31.4155 180.8757 32 K 4.2472 8.7488 126.9426 60.7351 31.3160 182.2492 33 S 4.3380 8.3844 122.6860 64.2367 62.4721 178.9273 34 L 4.4278 8.4554 129.7569 58.9244 40.3227 181.6969 35 R 4.2030 8.6933 125.2552 62.9053 29.7066 181.5379 36 Q 4.3915 7.9195 119.9341 59.3351 28.8423 180.3246 37 G 4.3604 7.8941 118.6821 46.2171 0.0000 172.3126 38 K 4.2478 8.2046 130.7518 55.6778 38.2096 174.5222 39 S 4.1537 7.8987 116.9261 59.2009 61.0777 178.5194 40 K 4.1977 8.3999 130.9157 56.4424 32.4912 176.2117 41 L 5.7183 7.2237 125.3978 54.9159 41.9402 178.6814 42 I 4.1985 7.9639 113.2777 62.8678 39.6124 170.8517 43 I 4.4275 8.8662 132.9080 58.8518 35.4949 170.4050 44 I 4.5848 7.8629 127.1999 58.1024 36.0863 174.1978 45 A 4.3835 8.5829 129.8521 51.1371 19.2305 178.2936 46 A 3.8765 8.2785 124.9938 56.2217 18.7552 179.7853 47 N 4.2688 8.5942 113.8340 56.3789 37.4676 177.4513 48 T 3.8263 7.2092 114.5550 60.7406 67.7945 174.3585 49 P 4.2977 0.0000 0.0000 61.6305 30.8431 173.2652 50 V 3.3331 7.9630 114.8653 65.5088 32.4037 179.6524 51 L 3.9681 8.3140 120.4540 58.2992 41.6373 181.7356 52 R 4.4979 7.3966 119.6117 54.7787 27.4052 178.1851 53 K 4.6010 7.4406 135.0000 55.0453 35.1590 179.5435 54 S 4.4375 8.0062 122.2315 63.1696 62.4946 178.9858 55 E 4.2976 8.5950 124.4840 61.5473 29.4480 181.1109 56 L 4.2405 8.4702 124.3025 61.1157 40.7212 182.5486 57 E 3.9237 8.8966 118.3018 61.6551 29.9522 181.6359 *58 Y 4.3378 8.7785 122.8659 63.0969 37.1522 181.1772 *59 Y 4.1877 8.1302 122.4283 62.1741 36.4932 180.4910 60 A 4.4904 7.8235 123.0492 54.8508 18.9809 179.7665 61 M 3.9493 8.3816 120.4569 59.2796 31.3618 182.2458 62 L 4.5823 7.5798 122.9103 58.4808 41.8879 184.7019 63 S 4.4758 8.3204 115.6377 58.9769 60.9258 179.6602 64 K 4.4384 5.6600 118.0784 55.1070 34.9358 176.6894 65 T 4.4455 7.9071 118.2103 60.8775 72.3480 172.0088 66 K 4.6208 8.1337 128.5343 54.4080 34.4238 177.2812 67 V 4.4142 8.3464 124.6784 59.9644 34.4015 174.7696 *68 Y 4.3381 8.4584 127.8504 56.1265 35.8916 171.8554 *69 Y 3.8256 8.0024 124.3456 55.5163 37.9379 176.6205 *70 F 4.4344 8.6534 126.5062 56.0665 39.2110 173.7456 71 Q 4.3683 8.5349 115.6725 58.3717 29.0244 172.4249 72 G 3.9716 7.5204 111.4353 43.2625 0.0000 175.5874 73 G 4.0998 8.9975 114.1570 45.5698 0.0000 173.5352 74 N 4.4236 8.8639 127.7740 58.2438 37.8518 175.8310 75 N 4.6627 8.3911 122.5677 57.4059 37.6417 178.2411 76 E 4.7352 7.8945 118.5710 60.6041 30.9229 183.1393 77 L 4.3816 7.9873 121.7410 58.1467 41.2992 180.9079 78 G 4.1193 7.8886 106.6045 48.8986 0.0000 176.5442 79 T 4.1374 8.0560 115.3317 66.1108 68.2370 176.7537 80 A 4.2640 8.2136 123.8221 55.9816 19.0590 179.7518 81 V 3.9092 7.9512 114.2353 60.2685 31.9431 178.3655 82 G 3.7523 6.8106 114.0052 45.6244 0.0000 179.6845 83 K 4.2672 7.5861 122.0549 55.1617 34.4894 178.1726 84 L 4.1606 8.1854 120.5438 54.5730 40.7602 177.1906 *85 F 4.1199 8.0271 117.3903 57.6024 37.7575 177.9365 86 R 4.2191 8.5211 133.9619 55.7124 29.5722 173.4798 87 V 3.9002 8.7726 120.2946 61.1169 33.2102 177.8218 88 G 4.3190 7.5860 103.7260 46.1579 0.0000 176.0676 89 V 5.1706 7.2100 126.2259 61.8955 34.1095 173.6088 90 V 4.0564 7.7018 127.5879 61.6416 33.6029 179.1870 91 S 4.7883 8.0372 118.2934 58.0152 61.7679 174.3885 92 I 3.7229 7.8248 124.8559 61.8285 35.8893 178.8576 93 L 4.4510 8.7530 132.7539 55.2572 42.5101 173.9148 94 E 4.9142 7.9894 114.1401 54.2128 34.4571 178.8362 95 A 4.3567 8.4712 121.2054 53.2131 19.9398 176.3697 96 G 3.9497 8.2497 109.1469 46.4919 0.0000 174.2563 97 D 4.9011 8.7913 121.3983 53.9511 40.6368 173.2415 98 S 4.8429 8.0409 117.6795 57.8857 66.6672 177.3259 99 D 4.8522 8.2303 120.1278 54.1843 38.3840 177.8604 100 I 3.9639 7.5504 120.2089 62.1314 36.3053 179.0756 101 L 4.5883 7.8769 120.0800 56.2348 41.1293 183.3165 102 T 4.9731 8.1077 110.5459 61.9146 70.6741 180.6558 103 T 4.0172 8.4919 118.9473 65.0130 68.6311 177.9960 104 L 4.7601 7.4451 121.6705 52.1308 43.7054 178.0332 105 A 4.2364 8.4288 117.6010 54.4026 18.3507 177.7313 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 8 E 8.54 4.26 0.00 2.01 1.83 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 2.13 1.88 0.00 9 S 8.46 4.14 0.00 3.72 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 10 I 8.63 3.82 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.54 0.91 0.00 0.00 11 N 8.32 4.62 0.00 2.73 2.76 0.00 0.00 6.32 7.46 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 12 Q 7.88 4.73 0.00 2.01 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.84 6.90 0.00 0.00 0.00 0.00 0.00 2.25 1.94 0.00 13 K 8.52 4.35 0.00 1.70 1.84 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.37 1.32 7.81 14 L 8.36 4.39 0.00 1.63 1.70 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 15 A 7.52 4.41 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 16 L 7.96 4.17 0.00 1.67 1.68 0.92 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 17 V 8.00 3.95 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 0.93 0.00 0.00 18 I 7.37 4.50 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.10 0.91 0.00 0.00 19 K 8.48 4.77 0.00 1.70 1.68 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.27 1.21 7.81 20 S 7.27 4.75 0.00 3.58 3.65 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 21 G 8.19 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 0.00 0.00 0.00 0.00 22 K 8.15 4.42 0.00 1.63 1.65 0.00 1.80 0.00 0.00 1.85 0.00 0.00 2.90 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.33 0.98 7.81 *23 Y 8.27 4.35 0.00 2.32 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 0.00 0.00 0.00 0.00 24 T 8.88 3.85 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 1.21 0.00 0.00 25 L 7.93 3.47 0.00 1.76 1.56 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 26 G 7.66 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 *27 Y 8.01 4.77 0.00 2.32 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 0.00 0.00 0.00 0.00 28 K 7.46 4.49 0.00 1.62 1.76 0.00 1.77 0.00 0.00 1.85 0.00 0.00 3.06 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.32 0.95 7.81 29 S 8.14 4.34 0.00 3.72 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 30 T 8.08 4.14 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 1.21 0.00 0.00 31 V 7.91 3.92 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 0.75 0.00 0.00 0.93 0.00 0.00 32 K 8.75 4.25 0.00 1.74 1.84 0.00 1.81 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.37 1.32 7.81 33 S 8.38 4.34 0.00 3.73 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 34 L 8.46 4.43 0.00 1.65 1.60 0.92 0.84 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 35 R 8.69 4.20 0.00 1.88 1.90 0.00 3.28 0.00 0.00 3.26 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.54 0.00 36 Q 7.92 4.39 0.00 2.13 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.33 0.00 0.00 0.00 0.00 0.00 2.32 2.30 0.00 37 G 7.89 4.36 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.20 4.25 0.00 1.72 1.65 0.00 1.83 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.18 0.92 7.81 39 S 7.90 4.15 0.00 3.62 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 40 K 8.40 4.20 0.00 1.69 1.79 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.37 1.25 7.81 41 L 7.22 5.72 0.00 1.65 1.46 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.96 4.20 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.30 0.91 0.00 0.00 43 I 8.87 4.43 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.60 0.91 0.00 0.00 44 I 7.86 4.58 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.60 0.91 0.00 0.00 45 A 8.58 4.38 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 46 A 8.28 3.88 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 47 N 8.59 4.27 0.00 2.75 2.79 0.00 0.00 6.48 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 48 T 7.21 3.83 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 1.21 0.00 0.00 49 P 0.00 4.30 0.00 1.98 2.00 0.00 3.74 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.63 0.00 50 V 7.96 3.33 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 0.67 0.00 0.00 0.93 0.00 0.00 51 L 8.31 3.97 0.00 1.56 1.73 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 52 R 7.40 4.50 0.00 2.02 1.80 0.00 3.32 0.00 0.00 3.26 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.45 0.00 53 K 7.44 4.60 0.00 1.66 1.79 0.00 1.75 0.00 0.00 1.85 0.00 0.00 2.86 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.19 0.79 7.81 54 S 8.01 4.44 0.00 3.71 3.88 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 55 E 8.59 4.30 0.00 1.96 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 2.24 2.19 0.00 56 L 8.47 4.24 0.00 1.64 1.67 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 57 E 8.90 3.92 0.00 1.96 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 2.25 2.25 0.00 *58 Y 8.78 4.34 0.00 2.29 2.38 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 *59 Y 8.13 4.19 0.00 2.29 2.35 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 60 A 7.82 4.49 1.33 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 0.00 0.00 0.00 61 M 8.38 3.95 0.00 2.11 2.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.43 0.00 62 L 7.58 4.58 0.00 1.77 1.59 0.92 0.85 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 63 S 8.32 4.48 0.00 3.64 3.38 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 64 K 5.66 4.44 0.00 1.62 1.58 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.18 1.13 7.81 65 T 7.91 4.45 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 1.21 0.00 0.00 66 K 8.13 4.62 0.00 1.47 1.69 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.29 1.24 7.81 67 V 8.35 4.41 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 0.88 0.00 0.00 0.93 0.00 0.00 *68 Y 8.46 4.34 0.00 2.13 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 0.00 0.00 0.00 0.00 *69 Y 8.00 3.83 0.00 2.34 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 0.00 0.00 0.00 0.00 *70 F 8.65 4.43 0.00 2.28 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 0.00 0.00 0.00 0.00 71 Q 8.53 4.37 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.75 0.00 0.00 0.00 0.00 0.00 2.27 1.92 0.00 72 G 7.52 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 73 G 9.00 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 N 8.86 4.42 0.00 2.74 2.83 0.00 0.00 7.00 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 75 N 8.39 4.66 0.00 2.81 2.79 0.00 0.00 6.42 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 76 E 7.89 4.74 0.00 1.99 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 2.16 2.16 0.00 77 L 7.99 4.38 0.00 1.70 1.63 0.92 0.72 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 78 G 7.89 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 79 T 8.06 4.14 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 1.21 0.00 0.00 80 A 8.21 4.26 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 81 V 7.95 3.91 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 0.73 0.00 0.00 0.93 0.00 0.00 82 G 6.81 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 0.00 0.00 0.00 83 K 7.59 4.27 0.00 1.84 1.84 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.04 7.81 84 L 8.19 4.16 0.00 1.78 2.00 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 *85 F 8.03 4.12 0.00 2.20 2.25 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 86 R 8.52 4.22 0.00 1.82 1.84 0.00 3.25 0.00 0.00 3.26 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.25 0.00 87 V 8.77 3.90 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 0.85 0.00 0.00 0.93 0.00 0.00 88 G 7.59 4.32 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 0.00 89 V 7.21 5.17 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 0.66 0.00 0.00 0.93 0.00 0.00 90 V 7.70 4.06 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 0.61 0.00 0.00 0.93 0.00 0.00 91 S 8.04 4.79 0.00 3.32 3.62 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 92 I 7.82 3.72 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.53 0.91 0.00 0.00 93 L 8.75 4.45 0.00 1.43 1.59 0.92 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 94 E 7.99 4.91 0.00 1.60 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 2.19 1.84 0.00 95 A 8.47 4.36 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 96 G 8.25 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 97 D 8.79 4.90 0.00 2.69 2.53 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 98 S 8.04 4.84 0.00 3.58 3.63 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 99 D 8.23 4.85 0.00 2.59 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.55 3.96 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.10 0.91 0.00 0.00 101 L 7.88 4.59 0.00 1.65 1.58 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 102 T 8.11 4.97 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 1.21 0.00 0.00 103 T 8.49 4.02 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 1.21 0.00 0.00 104 L 7.45 4.76 0.00 1.55 1.60 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 105 A 8.43 4.24 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 * Residues marked with a * may have inaccurate shift predictions.