NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *3 V 4.0456 8.0549 117.9084 60.3164 33.6616 175.5618 4 I 4.1241 7.9747 122.8118 58.7604 37.4701 174.2307 5 N 5.1033 8.3503 124.7821 51.6241 38.6400 173.5379 6 T 4.7140 7.7892 108.5393 60.5666 72.6587 173.8425 7 F 4.2635 8.3813 121.5555 61.3323 39.0388 177.9098 8 D 4.5685 8.2853 117.7690 57.1927 40.8277 178.9241 9 G 3.6364 8.3542 106.4459 47.7909 0.0000 176.0320 10 V 3.6285 8.2786 121.0837 65.4958 31.7261 177.5612 11 A 4.1573 8.0816 120.6387 55.6479 17.7461 179.3876 12 D 4.2499 8.0864 116.7271 57.6674 40.9777 178.3506 13 Y 4.0054 8.1370 119.9334 60.6820 38.7974 178.0961 14 L 3.8418 8.6380 120.4252 58.1053 41.5619 179.6799 15 Q 3.7334 7.5665 115.9337 58.5361 28.5805 178.5949 16 T 3.6603 6.7434 115.0921 65.5345 69.0361 175.6011 17 Y 4.1909 6.7488 114.8045 57.4181 38.6239 175.2905 18 H 3.0230 7.4014 116.4548 55.4908 26.8570 174.2488 19 K 4.4936 7.5156 114.0533 56.3782 34.6540 174.3640 20 L 4.3236 8.3418 119.9338 52.8817 42.7419 175.3425 21 P 3.8351 0.0000 0.0000 62.5227 31.5875 177.1708 22 D 4.4477 8.4764 119.5374 56.8894 40.9402 177.1343 23 N 4.5952 8.0153 115.8952 53.0090 37.5994 173.4113 24 Y 5.1923 7.4268 116.7727 56.7369 40.0215 175.2781 25 I 4.8311 8.3536 115.5119 59.4947 41.7646 175.0873 26 T 5.0193 8.8263 115.4706 60.2739 70.4865 175.6610 27 K 4.0299 9.2331 120.7770 59.8219 31.8368 179.9473 28 S 4.2597 8.1074 115.0162 61.4562 62.3248 176.3753 29 E 3.9734 7.9224 120.0976 59.3224 29.2924 179.1642 30 A 4.0149 7.8985 120.5066 55.3617 18.4522 179.6221 31 Q 4.1599 8.4085 116.3110 59.3048 28.6329 179.0818 32 A 4.3249 8.1350 120.3982 54.7099 18.4557 178.8329 33 L 4.3737 7.3152 114.7803 54.7355 42.1541 177.5419 34 G 4.1632 8.2988 106.8769 44.7775 0.0000 173.9125 35 W 4.4499 8.1667 130.2140 57.0357 31.3285 175.6758 36 V 3.8166 9.6096 125.9990 60.5892 32.3836 175.5552 37 A 3.2295 7.5807 131.2019 55.3062 18.0480 179.3869 38 S 4.5014 7.7974 108.5672 60.2871 62.9837 174.9258 39 K 4.3513 7.9197 118.5850 55.0500 33.0245 176.2206 40 G 3.3490 7.6862 107.4465 46.5852 0.0000 174.4379 41 N 5.1740 8.0843 113.3652 52.2232 38.0680 176.0420 42 L 3.9504 8.5241 122.8832 58.9570 41.7345 178.7030 43 A 4.0514 8.1794 119.7632 54.6733 18.0597 179.2503 44 D 4.3725 8.0759 117.5102 57.5894 41.1804 178.9834 45 V 4.0372 7.7725 110.8561 62.8173 33.0911 176.3350 46 A 4.5588 8.6653 122.1278 48.9820 19.1171 171.8806 47 P 4.5667 0.0000 0.0000 63.3742 32.0013 177.3524 48 G 3.8695 8.9777 110.9555 45.1416 0.0000 172.9853 49 K 4.6950 7.4526 118.2091 55.2840 34.0316 176.2189 50 S 4.5892 8.5146 117.6992 56.6289 67.7642 173.2941 51 I 4.3250 7.8598 122.8219 61.0134 38.3392 175.3473 52 G 4.1731 9.3892 112.4264 46.8831 0.0000 174.1894 53 G 4.5084 9.7610 110.0400 44.4233 0.0000 173.7562 54 D 4.7660 7.9560 119.4251 53.4656 42.4864 175.9128 55 I 4.1484 8.3995 122.2439 61.7481 37.9663 175.1716 56 F 4.8603 8.8228 129.3056 56.3425 40.1711 175.7192 57 S 3.9807 8.1794 121.3716 59.0540 63.4348 173.6064 58 N 3.8742 6.6223 121.0358 54.6363 36.8374 176.6723 59 R 3.7925 7.7380 114.1562 59.3902 29.8563 180.1038 60 E 4.0454 8.2363 115.2201 56.6692 29.4926 177.6386 61 G 4.0099 8.0490 107.0380 46.2483 0.0000 175.0165 62 K 4.1083 7.5789 118.2629 57.4247 32.5082 177.4845 63 L 3.8616 7.1887 118.5680 51.1919 43.4728 174.4539 64 P 4.2270 0.0000 0.0000 62.7443 31.3015 176.7451 65 G 3.9466 8.5519 112.5400 44.7406 0.0000 172.1112 66 K 4.1554 8.3327 119.5078 56.0063 34.6906 174.7241 *67 S 4.2733 9.0337 122.2013 59.9441 62.3520 172.1666 68 G 3.8702 8.7040 113.4489 45.7454 0.0000 173.0130 69 R 4.2396 7.9685 119.9017 54.1339 31.8586 174.6933 70 T 4.6212 7.8508 119.3224 60.0289 70.6171 172.5920 71 W 4.9707 8.5478 125.4112 55.0818 32.4609 174.9493 72 R 5.2002 8.8978 121.3878 54.4724 34.6738 173.6027 73 E 5.8293 9.3859 117.4398 54.0707 33.8640 174.2199 74 A 4.9838 8.3235 119.3585 50.8160 22.6395 175.3746 75 D 4.9668 9.5240 122.4014 54.3734 41.6231 176.1239 76 I 4.4053 8.1939 123.0033 60.1069 40.3058 175.1668 77 N 4.1829 8.8464 121.4738 54.1338 36.4261 173.8188 78 F 4.7465 8.1282 120.0059 57.1869 40.7221 174.9098 79 T 4.0336 7.2531 115.7686 62.6162 70.5416 173.6914 80 S 3.8680 6.8402 112.4581 57.9539 65.5742 176.2467 81 G 3.9721 8.6796 107.1870 46.0124 0.0000 173.3018 82 F 4.6475 8.6306 119.6350 56.9520 39.7987 175.4474 83 R 4.0319 8.9096 122.6454 56.9464 30.5138 176.9668 84 N 4.8715 8.6129 119.6539 52.4479 40.0191 175.0553 85 S 4.2121 8.4648 114.1045 58.6312 64.2046 172.7779 86 D 5.4668 8.1148 121.6521 53.7584 42.1231 175.8568 87 R 4.9306 9.1195 121.5512 54.5664 35.4824 173.6671 88 I 5.1231 8.8404 121.4013 59.4580 40.7105 174.1632 89 L 5.6262 9.3061 129.1140 53.1800 44.6452 175.0726 90 Y 5.7392 9.3624 121.8589 55.4558 41.6756 174.7530 91 S 4.5454 8.5262 116.6337 55.4034 65.2269 175.2004 92 S 2.8569 7.9427 115.3031 60.7136 62.4830 174.8493 93 D 4.3334 7.1799 117.7743 52.1834 39.3941 175.8020 94 W 3.7969 7.2284 118.4779 58.1563 26.7434 173.8377 95 L 4.6421 7.6564 120.1913 54.3852 43.3924 175.2389 96 I 5.4014 8.6320 125.8512 59.9804 40.5179 174.2565 97 Y 5.3210 9.6631 124.0354 56.0676 42.2961 174.3858 98 K 5.2814 9.0939 118.4736 55.9700 36.6256 175.1112 99 T 4.8994 9.0476 115.1226 60.5639 71.0526 174.0495 100 T 5.0578 8.6299 113.7001 59.9539 70.1806 173.3918 101 D 4.7569 7.5167 121.3864 53.7395 40.1137 175.0557 102 H 3.4595 8.3490 111.8097 58.5201 26.0992 175.0193 103 Y 3.1340 7.2411 110.2987 59.0312 35.7077 171.7305 104 Q 4.2157 7.6322 120.2946 58.4131 29.1602 176.3889 105 T 4.7187 7.9690 105.7368 60.0694 72.0482 173.6808 106 F 5.3303 8.7194 120.1072 56.2023 43.3066 174.2191 107 T 4.6913 8.8649 118.4716 61.3108 71.5934 173.4527 108 K 3.3426 8.5036 128.2033 56.0756 32.3837 176.4037 109 I 4.4088 8.4287 119.2240 60.7331 39.5127 175.7859 110 R 4.1697 7.5698 125.5237 56.8401 30.9634 174.5191 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 V 8.05 4.05 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 0.94 0.00 0.00 0.93 0.00 0.00 4 I 7.97 4.12 1.74 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 1.46 1.01 0.95 0.00 0.00 5 N 8.35 5.10 0.00 2.75 2.81 0.00 0.00 5.81 7.22 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 6 T 7.79 4.71 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 1.19 0.00 0.00 7 F 8.38 4.26 0.00 3.16 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 8 D 8.29 4.57 0.00 2.76 2.76 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 9 G 8.35 3.64 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 0.00 0.00 0.00 10 V 8.28 3.63 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 0.87 0.00 0.00 1.10 0.00 0.00 11 A 8.08 4.16 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 12 D 8.09 4.25 0.00 2.87 2.74 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 13 Y 8.14 4.01 0.00 3.24 3.08 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 14 L 8.64 3.84 0.00 1.90 1.70 0.40 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 15 Q 7.57 3.73 0.00 1.94 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.86 0.00 0.00 0.00 0.00 0.00 2.49 2.46 0.00 16 T 6.74 3.66 2.92 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 0.29 0.00 0.00 17 Y 6.75 4.19 0.00 2.54 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 18 H 7.40 3.02 0.00 3.14 3.29 0.00 5.89 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.52 4.49 0.00 1.90 1.86 0.00 1.83 0.00 0.00 1.88 0.00 0.00 3.17 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.35 1.66 7.81 20 L 8.34 4.32 0.00 1.63 1.44 0.71 0.31 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 21 P 0.00 3.84 0.00 2.23 1.34 0.00 3.51 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 1.77 0.00 22 D 8.48 4.45 0.00 2.62 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 23 N 8.02 4.60 0.00 2.83 2.88 0.00 0.00 6.16 7.57 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 24 Y 7.43 5.19 0.00 3.00 2.88 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 25 I 8.35 4.83 1.84 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.09 0.90 0.00 0.00 26 T 8.83 5.02 4.62 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 1.29 0.00 0.00 27 K 9.23 4.03 0.00 2.07 2.09 0.00 1.81 0.00 0.00 1.88 0.00 0.00 3.06 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.84 1.63 7.81 28 S 8.11 4.26 0.00 3.92 3.96 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 0.00 0.00 0.00 29 E 7.92 3.97 0.00 2.29 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 2.36 2.36 0.00 30 A 7.90 4.01 1.14 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 0.00 0.00 31 Q 8.41 4.16 0.00 2.40 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.43 2.88 0.00 32 A 8.13 4.32 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 33 L 7.32 4.37 0.00 1.92 1.77 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 34 G 8.30 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 0.00 0.00 0.00 35 W 8.17 4.45 0.00 3.18 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 36 V 9.61 3.82 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 0.87 0.00 0.00 0.88 0.00 0.00 37 A 7.58 3.23 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 S 7.80 4.50 0.00 3.83 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 39 K 7.92 4.35 0.00 1.77 1.76 0.00 1.86 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.31 7.81 40 G 7.69 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 0.00 0.00 0.00 41 N 8.08 5.17 0.00 3.04 3.01 0.00 0.00 5.74 6.67 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 42 L 8.52 3.95 0.00 1.38 1.76 0.34 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 43 A 8.18 4.05 1.29 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 0.00 0.00 0.00 44 D 8.08 4.37 0.00 2.82 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 45 V 7.77 4.04 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 0.96 0.00 0.00 1.05 0.00 0.00 46 A 8.67 4.56 1.17 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 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.57 0.00 2.02 1.99 0.00 3.74 0.00 0.00 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.03 0.00 48 G 8.98 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 0.00 0.00 0.00 49 K 7.45 4.69 0.00 1.84 1.63 0.00 1.58 0.00 0.00 1.64 0.00 0.00 2.78 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.35 1.36 7.81 50 S 8.51 4.59 0.00 3.10 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 51 I 7.86 4.32 1.86 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 0.61 0.35 0.88 0.00 0.00 52 G 9.39 4.17 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 G 9.76 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.96 4.77 0.00 2.72 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 55 I 8.40 4.15 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 1.22 0.48 0.89 0.00 0.00 56 F 8.82 4.86 0.00 3.04 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 57 S 8.18 3.98 0.00 3.84 3.77 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 58 N 6.62 3.87 0.00 2.80 2.77 0.00 0.00 7.32 7.65 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 59 R 7.74 3.79 0.00 1.87 1.83 0.00 3.33 0.00 0.00 3.22 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.25 0.00 60 E 8.24 4.05 0.00 2.14 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 2.40 1.89 0.00 61 G 8.05 4.01 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 0.00 62 K 7.58 4.11 0.00 2.18 2.00 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.47 1.28 7.81 63 L 7.19 3.86 0.00 0.61 0.13 -0.39 -0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 64 P 0.00 4.23 0.00 2.30 2.13 0.00 2.94 0.00 0.00 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.06 0.00 65 G 8.55 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 66 K 8.33 4.16 0.00 1.76 1.57 0.00 1.72 0.00 0.00 1.85 0.00 0.00 2.90 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.23 1.25 7.81 *67 S 9.03 4.27 0.00 3.67 3.68 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 68 G 8.70 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 0.00 0.00 0.00 69 R 7.97 4.24 0.00 1.56 1.93 0.00 3.29 0.00 0.00 2.59 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.81 0.00 70 T 7.85 4.62 4.14 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 1.05 0.00 0.00 71 W 8.55 4.97 0.00 3.60 3.12 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 72 R 8.90 5.20 0.00 0.67 1.45 0.00 2.89 0.00 0.00 3.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.40 0.00 73 E 9.39 5.83 0.00 2.18 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 2.48 2.31 0.00 74 A 8.32 4.98 1.02 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 75 D 9.52 4.97 0.00 2.63 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 I 8.19 4.41 1.43 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.65 -0.07 0.00 0.00 77 N 8.85 4.18 0.00 2.79 2.90 0.00 0.00 6.85 6.99 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 78 F 8.13 4.75 0.00 2.90 2.86 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 0.00 0.00 0.00 79 T 7.25 4.03 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 1.07 0.00 0.00 80 S 6.84 3.87 0.00 3.78 3.57 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 81 G 8.68 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 82 F 8.63 4.65 0.00 3.13 3.05 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 83 R 8.91 4.03 0.00 2.00 1.98 0.00 3.11 0.00 0.00 3.61 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.74 0.00 84 N 8.61 4.87 0.00 2.85 2.98 0.00 0.00 6.05 7.64 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 85 S 8.46 4.21 0.00 3.73 3.80 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.11 5.47 0.00 2.91 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 87 R 9.12 4.93 0.00 1.69 1.96 0.00 3.64 0.00 0.00 3.22 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.15 0.00 88 I 8.84 5.12 2.13 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.95 1.04 0.00 0.00 89 L 9.31 5.63 0.00 1.72 1.65 0.47 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 90 Y 9.36 5.74 0.00 3.11 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 91 S 8.53 4.55 0.00 2.99 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 92 S 7.94 2.86 0.00 3.68 3.73 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 93 D 7.18 4.33 0.00 2.70 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 94 W 7.23 3.80 0.00 3.54 3.48 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 95 L 7.66 4.64 0.00 1.78 1.64 1.05 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 96 I 8.63 5.40 2.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.07 1.11 0.00 0.00 97 Y 9.66 5.32 0.00 2.90 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 98 K 9.09 5.28 0.00 1.24 1.67 0.00 0.67 0.00 0.00 0.61 0.00 0.00 2.41 0.00 0.00 2.56 0.00 0.00 0.00 0.00 0.93 1.27 7.81 99 T 9.05 4.90 3.64 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 0.93 0.00 0.00 100 T 8.63 5.06 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 1.27 0.00 0.00 101 D 7.52 4.76 0.00 2.85 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 0.00 102 H 8.35 3.46 0.00 3.31 3.45 0.00 5.81 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 Y 7.24 3.13 0.00 3.20 3.17 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 0.00 0.00 0.00 0.00 104 Q 7.63 4.22 0.00 2.29 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.68 0.00 0.00 0.00 0.00 0.00 2.40 2.55 0.00 105 T 7.97 4.72 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 1.17 0.00 0.00 106 F 8.72 5.33 0.00 2.96 3.12 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 0.00 107 T 8.86 4.69 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 1.14 0.00 0.00 108 K 8.50 3.34 0.00 1.17 1.44 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.19 0.88 7.81 109 I 8.43 4.41 1.84 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.88 0.81 0.00 0.00 110 R 7.57 4.17 0.00 1.88 1.83 0.00 3.34 0.00 0.00 3.39 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.62 0.00 * Residues marked with a * may have inaccurate shift predictions.