NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.3592 8.1733 120.0848 55.9143 34.9313 175.1717 4 I 4.2168 7.3101 120.6076 59.0318 39.1555 173.4543 5 R 5.7400 9.7651 127.4245 53.6246 33.4827 173.7896 6 I 5.6833 8.2812 118.4533 58.2693 40.6354 174.1722 7 K 4.7741 8.5273 125.5938 54.6620 34.5425 175.0506 8 L 5.1325 9.0659 125.0270 53.1138 44.3721 174.8732 9 R 4.6027 8.5754 124.5660 56.1094 33.5321 171.5739 10 G 3.6020 8.2803 106.8294 45.3557 0.0000 173.1268 11 F 4.8887 8.5882 115.8523 58.9014 41.5481 175.4507 12 D 4.5925 8.0359 120.9446 53.9813 41.4679 175.8386 13 H 4.4333 8.8762 120.4623 56.0103 28.8568 175.1403 14 K 4.3464 8.3751 119.6236 58.7582 33.7126 178.4311 15 T 4.1042 7.6397 104.5351 62.9638 69.0913 174.3802 16 L 4.5646 7.3919 122.3867 54.5323 43.5977 177.0234 17 D 4.4661 7.8571 116.2665 55.4565 41.5429 176.3035 18 A 4.5801 7.7950 120.6719 53.0728 21.1557 178.3403 19 S 4.2195 7.9770 109.3435 60.0124 63.6860 175.6356 20 A 4.3130 7.3957 122.2156 53.2255 19.0510 177.5547 21 Q 4.3286 7.7542 114.4613 56.2448 30.0946 176.2507 22 K 4.1609 7.7644 119.1571 59.9384 32.6651 179.1961 23 I 4.1583 6.9442 117.7457 61.1240 36.3453 176.8678 24 V 4.4945 7.5644 116.3024 62.3824 34.0399 174.5510 25 E 4.5042 8.5368 117.1767 56.9608 31.7196 176.9956 26 A 4.8600 8.0520 118.9683 51.6281 19.3897 177.0007 27 A 4.6138 7.6311 121.0985 53.8336 21.3246 179.5680 28 R 3.9439 8.0603 113.9606 59.2093 30.5150 178.0924 29 R 4.0338 7.5282 117.7497 58.9354 30.3506 177.4550 30 S 4.4114 7.9829 111.1934 59.0142 63.8345 173.2072 31 G 4.3725 7.9815 108.5453 42.3133 0.0000 171.5788 32 A 3.8041 8.3466 120.7997 55.2181 18.1362 177.5789 33 Q 4.6868 8.1499 111.4473 53.2252 34.5505 174.2695 34 V 4.8893 8.1751 121.6110 60.7725 33.9909 175.2233 35 S 4.2583 9.4648 124.0320 58.2472 63.2892 174.1489 36 G 3.9744 8.7264 113.4422 43.1998 0.0000 171.0001 37 P 4.5225 0.0000 0.0000 62.7211 31.9664 175.6562 38 I 4.5271 9.2087 119.7281 58.4290 39.9096 172.7514 39 P 5.0273 0.0000 0.0000 61.2078 32.3533 175.6579 40 L 4.5312 7.8722 126.5079 53.4039 42.2865 174.7646 41 P 4.1826 0.0000 0.0000 64.2046 31.0349 177.1510 42 T 4.2950 8.2178 119.5952 61.9027 67.3055 172.6230 43 R 3.8786 8.2749 122.7706 56.9262 31.3079 175.3670 44 V 4.2735 8.3322 123.7574 61.5724 33.5820 175.6556 45 R 4.3728 7.8977 126.4673 54.4618 30.6447 174.5139 46 R 4.3293 7.8006 122.7947 54.5826 32.8104 175.5013 47 F 4.7146 8.0928 111.2423 56.7749 41.3372 173.4447 48 T 4.8995 8.9190 120.5707 62.5334 70.3287 174.2148 49 V 4.6142 8.1808 122.2793 60.2337 35.7316 174.6137 50 I 4.0381 8.2708 115.3928 59.7545 36.6301 176.0614 51 R 3.2186 7.5895 120.9023 59.1406 30.9235 177.0637 52 G 3.9904 7.9846 110.8476 45.6176 0.0000 171.5593 53 P 4.3423 0.0000 0.0000 65.6218 31.0488 177.2797 54 F 4.6301 7.6960 121.4520 57.4356 39.8792 174.5456 55 K 4.0487 7.5854 120.0154 57.1620 34.3669 176.1473 56 H 4.8428 8.2270 122.8019 54.3071 30.3574 175.0862 57 K 3.8823 7.7993 117.6598 58.0262 33.5028 176.7145 58 D 4.8811 8.8711 120.7354 55.4132 43.7519 175.9941 59 S 3.5801 8.3374 110.0906 60.5506 61.9462 171.4901 60 R 4.2660 7.2814 122.6595 56.7346 32.4795 175.4392 61 E 4.6459 8.2741 118.5404 55.7008 33.2724 174.6794 62 H 4.8277 8.5510 121.7110 53.5825 31.7874 172.2737 63 F 5.2448 8.2273 115.3911 54.9501 41.6392 173.1026 64 E 4.7386 8.7327 116.0524 54.1716 31.6712 175.6444 65 L 4.4671 7.9143 120.6595 52.5924 41.5976 174.1879 66 R 3.8965 7.9255 117.2449 56.9905 30.9858 177.2305 67 T 4.6723 8.1891 120.4516 60.7134 66.7835 174.1315 68 H 4.5731 8.5157 125.0351 55.9069 28.8462 174.5449 69 N 5.1913 8.5328 115.7729 52.0764 43.2273 173.5239 70 R 4.8235 8.7187 120.6426 55.2603 34.2980 173.3906 71 L 5.2816 9.5185 126.7783 53.6196 45.9138 175.2411 72 V 4.7472 8.2636 123.4484 61.7736 35.5593 172.8540 73 D 5.1036 8.7807 126.8038 52.4417 44.5246 174.5670 74 I 4.8148 8.0710 115.3036 59.6263 39.7066 176.3628 75 I 3.8087 8.7318 118.8806 62.8956 38.8109 175.3651 76 N 4.7217 8.0781 122.2460 51.1662 39.6695 173.6869 77 P 4.6084 0.0000 0.0000 61.1204 30.3471 174.7428 78 N 5.0002 7.9618 125.9615 51.6239 41.3047 175.8252 79 R 3.9683 8.3892 119.1230 58.6625 30.1052 178.9085 80 K 4.1023 7.9327 119.1986 59.4583 32.6527 178.5339 81 T 4.6438 7.7155 110.8438 64.7015 69.2525 176.5586 82 I 3.6752 7.7064 123.5826 63.7391 36.9617 177.5385 83 E 4.0294 8.1211 120.3030 59.0458 29.3279 179.3301 84 Q 4.2956 7.7627 113.0393 56.4744 28.1533 176.5600 85 L 4.5748 8.3586 117.4396 56.2645 44.3220 178.2879 86 M 4.1268 8.2868 120.2517 57.7338 32.0453 176.0692 87 T 4.4190 7.1233 104.4811 63.3105 71.4174 174.8201 88 L 4.1892 7.6396 130.4027 54.2565 40.1036 174.2260 89 D 5.0058 8.0994 120.8558 52.0845 43.1119 176.7561 90 L 4.8136 8.1615 126.0446 53.5853 42.7045 176.4364 91 P 4.5602 0.0000 0.0000 60.9195 30.6028 174.8479 92 T 3.9671 8.2788 121.2105 65.8292 67.2708 175.4661 93 G 4.0487 7.5846 102.9648 46.1776 0.0000 172.7252 94 V 3.8988 7.4526 119.9086 62.4560 32.2924 174.3542 95 E 4.9278 8.5059 123.6592 54.3850 33.0882 174.3413 96 I 4.9874 7.9913 115.9031 59.6303 40.7022 173.9226 97 E 4.8236 9.5085 124.2372 54.6643 34.0872 174.6637 98 I 5.0619 8.3639 122.3786 59.8087 40.1485 174.8398 99 K 4.9171 9.5623 126.7918 54.9907 36.3477 175.1494 100 T 5.2000 8.1397 112.8080 61.2617 72.2115 174.8305 *101 V 3.9074 8.1795 117.8324 61.1056 32.4044 174.8779 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 K 8.17 4.36 0.00 1.73 1.92 0.00 1.62 0.00 0.00 1.81 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.48 7.81 4 I 7.31 4.22 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 1.11 1.15 0.91 0.00 0.00 5 R 9.77 5.74 0.00 1.73 1.81 0.00 3.07 0.00 0.00 3.31 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 6 I 8.28 5.68 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.21 0.90 0.00 0.00 7 K 8.53 4.77 0.00 1.68 1.75 0.00 1.62 0.00 0.00 1.82 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.39 7.81 8 L 9.07 5.13 0.00 1.51 1.52 0.91 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 9 R 8.58 4.60 0.00 1.61 1.75 0.00 3.14 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.55 0.00 10 G 8.28 3.60 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 0.00 0.00 0.00 11 F 8.59 4.89 0.00 3.02 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 12 D 8.04 4.59 0.00 2.77 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 13 H 8.88 4.43 0.00 3.09 3.13 0.00 5.53 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 K 8.38 4.35 0.00 2.14 1.84 0.00 1.80 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.38 1.56 7.81 15 T 7.64 4.10 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 1.30 0.00 0.00 16 L 7.39 4.56 0.00 1.79 1.75 0.91 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 17 D 7.86 4.47 0.00 2.83 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.80 4.58 1.27 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 0.00 0.00 0.00 0.00 0.00 0.00 19 S 7.98 4.22 0.00 4.00 4.18 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 20 A 7.40 4.31 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 21 Q 7.75 4.33 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.95 0.00 0.00 0.00 0.00 0.00 2.45 2.32 0.00 22 K 7.76 4.16 0.00 1.95 1.91 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.40 1.54 7.81 23 I 6.94 4.16 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.86 0.90 0.00 0.00 24 V 7.56 4.49 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 0.81 0.00 0.00 0.98 0.00 0.00 25 E 8.54 4.50 0.00 2.04 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 2.20 2.30 0.00 26 A 8.05 4.86 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 27 A 7.63 4.61 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 28 R 8.06 3.94 0.00 1.81 2.00 0.00 3.32 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.75 0.00 29 R 7.53 4.03 0.00 1.63 2.02 0.00 3.25 0.00 0.00 3.27 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.56 0.00 30 S 7.98 4.41 0.00 4.09 4.16 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 31 G 7.98 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 0.00 0.00 0.00 0.00 32 A 8.35 3.80 1.22 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 0.00 0.00 33 Q 8.15 4.69 0.00 1.96 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 34 V 8.18 4.89 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 0.87 0.00 0.00 0.93 0.00 0.00 35 S 9.46 4.26 0.00 3.86 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 36 G 8.73 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 37 P 0.00 4.52 0.00 1.94 2.02 0.00 3.64 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.16 0.00 38 I 9.21 4.53 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 1.39 0.96 0.96 0.00 0.00 39 P 0.00 5.03 0.00 2.11 2.12 0.00 3.76 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.95 0.00 40 L 7.87 4.53 0.00 1.85 1.75 0.93 0.92 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 41 P 0.00 4.18 0.00 2.19 2.14 0.00 3.76 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 2.00 2.02 0.00 42 T 8.22 4.30 4.21 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 1.00 0.00 0.00 43 R 8.27 3.88 0.00 1.74 1.89 0.00 3.27 0.00 0.00 3.27 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.61 0.00 44 V 8.33 4.27 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 0.63 0.00 0.00 0.91 0.00 0.00 45 R 7.90 4.37 0.00 1.95 1.50 0.00 3.30 0.00 0.00 3.06 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.72 0.00 46 R 7.80 4.33 0.00 1.58 1.66 0.00 3.19 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.46 0.00 47 F 8.09 4.71 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 48 T 8.92 4.90 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 1.17 0.00 0.00 49 V 8.18 4.61 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 0.70 0.00 0.00 0.96 0.00 0.00 50 I 8.27 4.04 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.93 0.89 0.00 0.00 51 R 7.59 3.22 0.00 1.82 1.86 0.00 3.32 0.00 0.00 3.21 7.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 52 G 7.98 3.99 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 0.00 0.00 0.00 53 P 0.00 4.34 0.00 2.26 2.23 0.00 3.84 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.99 0.00 54 F 7.70 4.63 0.00 2.87 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 55 K 7.59 4.05 0.00 1.59 1.31 0.00 1.09 0.00 0.00 1.27 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.72 1.05 7.81 56 H 8.23 4.84 0.00 3.16 3.21 0.00 5.66 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 K 7.80 3.88 0.00 1.70 1.88 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.76 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.42 7.81 58 D 8.87 4.88 0.00 2.42 2.55 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 59 S 8.34 3.58 0.00 4.02 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 0.00 60 R 7.28 4.27 0.00 1.70 2.14 0.00 3.14 0.00 0.00 3.11 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.56 0.00 61 E 8.27 4.65 0.00 1.91 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 1.93 2.16 0.00 62 H 8.55 4.83 0.00 3.14 3.09 0.00 5.54 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 F 8.23 5.24 0.00 3.19 3.26 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 64 E 8.73 4.74 0.00 1.72 1.75 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 2.12 2.19 0.00 65 L 7.91 4.47 0.00 1.59 1.45 0.16 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 66 R 7.93 3.90 0.00 1.67 1.76 0.00 3.21 0.00 0.00 3.08 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 67 T 8.19 4.67 4.45 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 1.31 0.00 0.00 68 H 8.52 4.57 0.00 2.94 3.29 0.00 5.85 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 N 8.53 5.19 0.00 2.75 2.65 0.00 0.00 6.23 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 70 R 8.72 4.82 0.00 1.87 1.84 0.00 3.02 0.00 0.00 3.09 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.73 0.00 71 L 9.52 5.28 0.00 1.70 1.53 0.97 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 72 V 8.26 4.75 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 73 D 8.78 5.10 0.00 2.56 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.07 4.81 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 1.40 0.90 0.91 0.00 0.00 75 I 8.73 3.81 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 1.40 0.63 0.91 0.00 0.00 76 N 8.08 4.72 0.00 2.73 2.87 0.00 0.00 6.91 7.69 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 77 P 0.00 4.61 0.00 2.21 2.06 0.00 3.77 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.93 0.00 78 N 7.96 5.00 0.00 3.10 2.96 0.00 0.00 6.97 7.54 0.00 0.00 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 R 8.39 3.97 0.00 1.80 2.04 0.00 3.37 0.00 0.00 3.15 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 80 K 7.93 4.10 0.00 1.74 2.03 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.13 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.42 1.44 7.81 81 T 7.72 4.64 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 1.34 0.00 0.00 82 I 7.71 3.68 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 1.67 1.38 0.91 0.00 0.00 83 E 8.12 4.03 0.00 2.21 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 2.30 2.34 0.00 84 Q 7.76 4.30 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.63 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 85 L 8.36 4.57 0.00 1.60 1.54 0.92 0.30 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 86 M 8.29 4.13 0.00 1.99 2.28 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.53 0.00 87 T 7.12 4.42 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 1.22 0.00 0.00 88 L 7.64 4.19 0.00 1.60 1.79 0.92 1.13 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 89 D 8.10 5.01 0.00 2.67 2.55 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 90 L 8.16 4.81 0.00 1.53 1.58 0.91 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 91 P 0.00 4.56 0.00 2.35 2.06 0.00 3.76 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.91 0.00 92 T 8.28 3.97 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 1.20 0.00 0.00 93 G 7.58 4.05 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 0.00 0.00 0.00 94 V 7.45 3.90 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 0.81 0.00 0.00 0.95 0.00 0.00 95 E 8.51 4.93 0.00 1.98 1.66 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 2.20 2.28 0.00 96 I 7.99 4.99 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.94 0.89 0.00 0.00 97 E 9.51 4.82 0.00 1.81 1.81 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 2.20 2.39 0.00 98 I 8.36 5.06 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.47 0.91 0.00 0.00 99 K 9.56 4.92 0.00 1.58 1.65 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 1.48 7.81 100 T 8.14 5.20 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 1.21 0.00 0.00 *101 V 8.18 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 0.68 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.