NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 I 4.0698 7.8827 121.4458 61.2099 38.2402 173.8752 17 V 4.1523 8.2515 125.6791 61.8912 32.6762 173.7766 18 G 3.9189 8.9339 114.1848 46.5479 0.0000 173.3943 19 G 4.1415 7.7935 110.1519 43.8748 0.0000 172.7620 20 Y 4.8838 7.3927 116.1072 55.0085 41.2446 174.7328 21 T 4.0514 8.5012 117.5396 63.1588 68.9656 174.9892 22 C 4.3256 8.3808 124.1515 59.2652 29.1025 173.5035 23 A 4.0291 8.4543 125.1226 51.6083 18.6561 177.0997 24 A 3.6499 8.4493 124.6710 53.7135 18.5457 177.1294 25 N 4.2354 8.6694 120.0987 54.4707 36.0675 175.3573 26 S 4.4340 7.9300 111.9416 59.2165 64.3745 174.1406 27 I 4.3015 7.0054 121.4558 58.8614 37.2411 174.2770 28 P 4.3510 0.0000 0.0000 65.0811 31.8710 178.1015 29 Y 5.1626 6.7824 115.3419 56.6373 38.7655 174.4727 30 Q 4.5392 7.5172 123.7961 56.3747 29.2793 175.5403 31 V 4.7749 8.5354 119.6535 59.6486 35.1862 175.0027 32 S 4.7280 8.6917 117.0896 56.4863 64.7709 172.8764 33 L 4.4029 8.5982 128.3746 54.1164 42.7593 175.4054 34 N 5.5077 8.9832 122.4968 50.0021 42.0129 174.3476 *37 S 4.3591 8.3199 120.7157 58.6093 61.6716 172.3848 38 G 4.3107 9.3629 113.5352 46.0399 0.0000 173.5103 39 S 4.5918 7.5949 112.2512 55.9296 66.1799 172.4681 40 H 4.3370 8.6876 121.4823 56.3476 29.9128 174.7489 41 F 4.8197 8.1684 120.8986 57.5348 39.9283 174.1845 42 C 4.7506 6.6476 116.2521 55.7789 45.0542 173.6424 43 G 4.0785 8.2046 108.1695 45.9713 0.0000 172.1466 44 G 4.2353 7.5696 105.3886 46.1914 0.0000 172.7005 45 S 5.4671 8.5202 114.8722 56.5932 67.5636 173.5056 46 L 4.9402 9.0441 126.7471 54.1298 42.8454 176.7492 47 I 4.4764 8.0867 118.6007 60.0789 37.9668 174.5345 48 N 4.5776 7.4559 117.2446 53.1483 41.5041 175.2324 49 S 4.3454 8.5479 117.2188 60.3824 63.6191 175.3635 50 Q 4.5883 9.5775 119.6961 55.3035 30.3290 174.8387 51 W 5.6167 8.0543 117.2028 54.7595 33.3737 174.3397 52 V 5.0650 9.0834 123.9563 61.0626 34.1782 174.4475 53 V 4.9117 8.8870 126.8903 60.5950 34.2512 174.9972 54 S 4.6984 9.0036 116.5512 57.8622 66.0508 171.3236 55 A 5.0024 8.7488 120.0803 49.6801 20.3262 178.2330 56 A 3.7740 8.3557 126.4466 55.2155 18.4438 178.4102 57 H 4.6639 7.9794 108.9460 56.7671 28.6682 175.2227 58 C 4.7081 8.0290 117.3141 56.8219 40.6618 173.3063 59 Y 4.2508 7.3683 121.1064 58.2952 38.7270 175.7775 60 K 4.2086 6.9144 124.0406 54.8211 36.1352 176.4858 61 S 4.0098 8.2602 117.1436 59.8994 63.4841 174.2859 62 R 4.6675 7.5160 117.1447 54.2399 31.6165 175.2848 63 I 4.8850 8.1925 122.6350 59.7911 42.2958 173.2725 64 Q 4.8155 9.4608 127.8127 54.2537 31.6053 174.2698 65 V 4.4039 8.5904 126.9836 62.0670 33.4068 174.6783 66 R 4.9704 8.8746 126.8816 54.6664 32.6553 175.0040 67 L 4.7498 8.7886 124.2304 52.7220 44.9297 177.6923 *69 G 3.8774 8.2842 107.2251 44.6087 0.0000 172.6586 70 E 4.4296 8.1454 118.6993 55.8303 30.2269 174.2830 71 H 4.8694 8.5855 119.9937 57.1115 31.9233 173.4029 72 N 4.7358 8.5972 124.9270 51.8250 38.2440 175.8060 73 I 3.5417 8.0544 119.9842 62.8111 37.8141 176.4797 74 D 4.6696 8.0445 119.7927 54.2053 41.1630 176.3742 75 V 4.3556 7.2566 118.4044 60.9284 34.5907 174.8984 76 L 4.4604 8.4411 126.6623 54.3258 40.6471 176.6012 77 E 4.1776 9.3319 124.6063 56.5609 30.0003 177.3035 78 G 4.1164 8.0865 106.8081 45.9249 0.0000 174.3371 79 N 4.6862 8.1563 115.0639 52.9462 37.6297 174.1983 80 E 4.9102 7.6940 117.8804 56.1148 31.5012 175.8410 81 Q 4.2919 8.8038 120.1931 54.4157 32.7257 174.0919 82 F 5.6274 8.6315 123.2758 55.9948 40.9047 175.4244 83 I 4.7114 8.5428 124.2431 59.4304 41.0154 175.0363 84 N 4.8898 8.7774 123.2469 52.8407 40.0219 174.2955 85 A 4.4483 8.2784 123.0537 52.1631 18.6799 177.3724 86 A 4.5347 9.1814 123.0871 52.4946 21.3336 177.3521 87 K 4.5963 7.6182 115.7106 55.1892 36.0564 174.9518 88 I 5.0138 8.5326 126.9377 59.7495 40.3945 174.9634 89 I 4.5920 9.5981 129.9435 59.5825 39.4247 175.4241 90 T 4.4958 8.4216 117.3582 60.7236 70.4416 174.2420 91 H 4.1854 8.6834 123.3997 55.4508 30.2334 174.6510 92 P 4.3151 0.0000 0.0000 65.3254 31.0041 176.5820 93 N 4.9311 8.2901 114.4097 52.6458 38.9707 174.2307 94 F 4.5566 8.4439 121.8039 58.4302 40.0310 174.0050 95 N 4.4557 8.2780 126.1812 51.2133 39.9811 175.3646 96 G 3.6498 8.0175 115.5108 48.3530 0.0000 174.1434 97 N 4.4214 8.3110 117.4509 56.3963 38.6623 176.6751 98 T 4.0566 7.8989 105.5690 61.8783 69.5536 175.2035 99 L 3.9116 8.3480 120.7054 55.4328 39.7492 173.7330 100 D 4.4338 7.6749 119.3472 55.2476 41.7621 175.8835 101 N 4.4001 8.7240 122.4067 54.7266 35.4044 175.4539 102 D 4.6811 7.8665 118.0227 53.1152 40.1602 174.3505 103 I 4.9880 7.3669 120.8951 59.3247 42.5906 173.1378 104 M 5.2239 8.8844 126.6568 54.0939 36.1496 173.2718 105 L 5.3569 9.2355 125.4471 53.1454 44.8844 175.3949 106 I 5.0622 9.0581 123.8480 59.4510 40.5193 174.2383 107 K 3.7038 8.8047 129.4513 54.4255 33.2239 175.9534 108 L 4.4259 8.0002 128.1674 54.6252 41.7913 177.7830 109 S 4.2940 8.7655 117.0090 60.7864 63.7119 174.7985 110 S 4.6011 7.7120 115.6086 55.6200 66.6331 171.7278 111 P 4.5600 0.0000 0.0000 63.1560 31.3440 176.0338 112 A 4.2436 9.0611 125.5690 52.2501 19.4691 177.2074 113 T 4.3687 8.4820 117.7060 61.8815 69.2737 175.1769 114 L 4.3972 8.4998 127.9940 54.6520 42.5457 176.5849 115 N 4.8187 9.0350 120.8347 52.3620 39.7861 174.4925 116 S 4.0755 8.9768 112.1108 61.9408 62.6046 175.1916 117 R 4.2936 8.0860 115.6795 55.3229 29.6608 175.9209 118 V 4.3594 7.7774 118.9136 61.7299 33.1072 173.3547 119 A 5.1839 8.6307 128.5212 50.2519 22.9827 175.1911 120 T 4.9157 8.6007 109.7616 61.3459 70.4404 174.1497 121 V 4.3794 8.0651 121.9500 59.6204 33.4566 176.0250 122 S 4.2082 8.5282 120.0503 58.4512 63.3772 174.2653 123 L 4.2968 8.1084 123.9736 53.3648 42.3565 174.9508 124 P 4.4860 0.0000 0.0000 62.6351 31.9047 177.0528 125 R 3.8653 8.4256 120.2988 58.7811 30.3885 176.5605 *127 S 4.3044 7.5318 109.8836 57.8903 64.0420 172.8028 128 C 4.3228 8.2901 117.2840 59.3991 28.5141 173.3953 129 A 4.3629 8.1808 124.3568 51.0868 19.1264 177.6438 130 A 4.0304 8.1996 123.9054 51.7910 19.4012 176.6089 *132 A 4.0266 8.2002 121.7874 53.4541 19.5191 177.6906 133 G 3.9667 8.8622 109.4105 45.3034 0.0000 173.9143 134 T 3.9514 7.1597 116.4980 63.2331 68.7955 173.8098 135 E 4.1821 8.6644 127.7663 55.9935 30.3872 175.1578 136 C 4.9717 8.4164 122.0134 57.7390 32.1419 172.6752 137 L 4.7699 8.3484 121.7836 53.2841 43.9191 175.4206 138 I 4.6028 8.2485 126.0559 59.5338 39.8693 174.8089 139 S 4.4267 8.6593 117.2481 55.9444 65.9507 173.1789 140 G 3.9972 7.1720 110.9672 45.1790 0.0000 171.9666 141 W 4.6385 8.1889 117.2463 56.2774 29.3876 177.2647 142 G 3.9749 7.9031 108.4329 44.2814 0.0000 173.3711 143 N 4.3192 8.6475 117.6415 54.4686 39.0226 174.4058 144 T 5.2624 8.3634 112.6371 60.6693 69.5939 174.5544 145 K 4.1747 7.6675 126.8915 57.0231 33.2137 175.9036 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 16 I 7.88 4.07 1.76 0.00 0.00 0.79 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 0.31 0.81 0.00 0.00 17 V 8.25 4.15 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 0.77 0.00 0.00 0.94 0.00 0.00 18 G 8.93 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 0.00 0.00 0.00 19 G 7.79 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 0.00 0.00 0.00 0.00 20 Y 7.39 4.88 0.00 3.04 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 21 T 8.50 4.05 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 1.26 0.00 0.00 22 C 8.38 4.33 0.00 2.91 2.80 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 23 A 8.45 4.03 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 24 A 8.45 3.65 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 25 N 8.67 4.24 0.00 2.85 2.90 0.00 0.00 7.28 7.60 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 26 S 7.93 4.43 0.00 3.99 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 27 I 7.01 4.30 1.54 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.74 0.24 0.00 0.00 28 P 0.00 4.35 0.00 2.33 2.42 0.00 3.64 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.00 0.00 29 Y 6.78 5.16 0.00 3.28 3.44 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.52 4.54 0.00 1.72 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.53 0.00 0.00 0.00 0.00 0.00 1.92 2.48 0.00 31 V 8.54 4.77 2.12 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 0.83 0.00 0.00 0.95 0.00 0.00 32 S 8.69 4.73 0.00 3.17 3.30 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 33 L 8.60 4.40 0.00 0.39 0.80 0.79 0.08 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 34 N 8.98 5.51 0.00 2.44 2.53 0.00 0.00 6.51 7.37 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 *37 S 8.32 4.36 0.00 3.96 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 38 G 9.36 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 0.00 0.00 0.00 0.00 39 S 7.59 4.59 0.00 3.94 3.90 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 40 H 8.69 4.34 0.00 2.83 3.15 0.00 5.86 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 F 8.17 4.82 0.00 3.05 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 42 C 6.65 4.75 0.00 2.47 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 43 G 8.20 4.08 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 0.00 0.00 0.00 44 G 7.57 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 45 S 8.52 5.47 0.00 3.81 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 46 L 9.04 4.94 0.00 1.87 1.66 1.08 0.79 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 47 I 8.09 4.48 1.89 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 1.35 1.01 0.93 0.00 0.00 48 N 7.46 4.58 0.00 2.80 3.09 0.00 0.00 7.04 7.70 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 49 S 8.55 4.35 0.00 4.27 4.15 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 50 Q 9.58 4.59 0.00 2.36 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.87 0.00 0.00 0.00 0.00 0.00 2.26 2.48 0.00 51 W 8.05 5.62 0.00 3.29 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 52 V 9.08 5.07 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 1.19 0.00 0.00 0.98 0.00 0.00 53 V 8.89 4.91 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.96 0.00 0.00 54 S 9.00 4.70 0.00 3.86 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 55 A 8.75 5.00 1.12 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 56 A 8.36 3.77 0.45 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 57 H 7.98 4.66 0.00 3.40 3.54 0.00 5.55 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 C 8.03 4.71 0.00 3.27 3.32 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 59 Y 7.37 4.25 0.00 3.01 2.93 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 60 K 6.91 4.21 0.00 1.48 1.25 0.00 1.12 0.00 0.00 1.34 0.00 0.00 2.51 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.06 0.33 7.81 61 S 8.26 4.01 0.00 3.93 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 62 R 7.52 4.67 0.00 1.71 1.84 0.00 3.03 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.59 0.00 63 I 8.19 4.89 1.89 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 1.48 0.83 0.97 0.00 0.00 64 Q 9.46 4.82 0.00 2.02 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.18 0.00 0.00 0.00 0.00 0.00 2.12 2.37 0.00 65 V 8.59 4.40 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 0.89 0.00 0.00 0.90 0.00 0.00 66 R 8.87 4.97 0.00 1.48 1.59 0.00 2.61 0.00 0.00 2.25 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 1.17 0.00 67 L 8.79 4.75 0.00 1.70 1.62 0.97 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 *69 G 8.28 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 0.00 0.00 0.00 70 E 8.15 4.43 0.00 2.06 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 2.34 2.01 0.00 71 H 8.59 4.87 0.00 3.10 3.56 0.00 5.93 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 N 8.60 4.74 0.00 2.78 2.74 0.00 0.00 7.13 9.00 0.00 0.00 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 I 8.05 3.54 1.36 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.47 -0.64 0.00 0.00 74 D 8.04 4.67 0.00 2.81 2.71 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 0.00 0.00 0.00 0.00 75 V 7.26 4.36 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 0.79 0.00 0.00 0.93 0.00 0.00 76 L 8.44 4.46 0.00 1.68 1.62 0.93 1.01 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 77 E 9.33 4.18 0.00 2.12 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 2.36 2.50 0.00 78 G 8.09 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 N 8.16 4.69 0.00 2.97 3.04 0.00 0.00 6.28 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 80 E 7.69 4.91 0.00 1.58 2.04 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 2.59 2.63 0.00 81 Q 8.80 4.29 0.00 2.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.78 0.00 0.00 0.00 0.00 0.00 2.22 2.29 0.00 82 F 8.63 5.63 0.00 2.85 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 I 8.54 4.71 1.88 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 1.23 0.74 0.94 0.00 0.00 84 N 8.78 4.89 0.00 2.63 2.71 0.00 0.00 7.05 7.24 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 85 A 8.28 4.45 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 86 A 9.18 4.53 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 K 7.62 4.60 0.00 1.71 1.55 0.00 1.77 0.00 0.00 1.89 0.00 0.00 2.84 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.48 1.50 7.81 88 I 8.53 5.01 2.08 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 1.39 0.83 1.17 0.00 0.00 89 I 9.60 4.59 2.01 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.87 0.96 0.00 0.00 90 T 8.42 4.50 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 1.15 0.00 0.00 91 H 8.68 4.19 0.00 3.38 3.42 0.00 5.60 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 P 0.00 4.32 0.00 2.23 2.19 0.00 3.46 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.93 0.00 93 N 8.29 4.93 0.00 2.84 2.86 0.00 0.00 6.89 7.48 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 94 F 8.44 4.56 0.00 3.07 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 95 N 8.28 4.46 0.00 2.56 2.44 0.00 0.00 6.75 7.72 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 96 G 8.02 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 0.00 0.00 0.00 97 N 8.31 4.42 0.00 2.82 2.83 0.00 0.00 6.93 7.25 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 98 T 7.90 4.06 4.22 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 1.17 0.00 0.00 99 L 8.35 3.91 0.00 1.84 1.96 1.16 1.02 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 0.00 100 D 7.67 4.43 0.00 2.68 2.50 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 0.00 101 N 8.72 4.40 0.00 3.11 2.78 0.00 0.00 6.93 7.95 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 0.00 102 D 7.87 4.68 0.00 3.24 2.65 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 0.00 103 I 7.37 4.99 1.89 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 1.25 1.41 1.03 0.00 0.00 104 M 8.88 5.22 0.00 2.11 1.80 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.60 0.00 105 L 9.24 5.36 0.00 1.83 1.80 0.99 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 106 I 9.06 5.06 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.87 0.89 0.00 0.00 107 K 8.80 3.70 0.00 0.79 1.10 0.00 1.26 0.00 0.00 1.36 0.00 0.00 2.82 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.76 0.21 7.81 108 L 8.00 4.43 0.00 1.48 1.59 0.94 0.76 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 0.00 109 S 8.77 4.29 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 0.00 110 S 7.71 4.60 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 0.00 111 P 0.00 4.56 0.00 2.07 2.06 0.00 3.74 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 1.98 1.98 0.00 112 A 9.06 4.24 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 0.00 113 T 8.48 4.37 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 0.00 114 L 8.50 4.40 0.00 1.64 1.64 1.01 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 115 N 9.04 4.82 0.00 2.87 2.92 0.00 0.00 6.34 7.11 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 0.00 116 S 8.98 4.08 0.00 4.00 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 0.00 117 R 8.09 4.29 0.00 2.03 2.19 0.00 2.89 0.00 0.00 3.09 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 118 V 7.78 4.36 2.32 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 1.07 0.00 0.00 0.96 0.00 0.00 119 A 8.63 5.18 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 0.00 120 T 8.60 4.92 4.28 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 1.29 0.00 0.00 121 V 8.07 4.38 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 0.63 0.00 0.00 0.34 0.00 0.00 122 S 8.53 4.21 0.00 3.83 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 0.00 123 L 8.11 4.30 0.00 1.61 1.57 0.88 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 124 P 0.00 4.49 0.00 2.35 2.02 0.00 3.73 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 125 R 8.43 3.87 0.00 1.88 2.00 0.00 3.14 0.00 0.00 3.38 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.60 0.00 *127 S 7.53 4.30 0.00 3.99 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 C 8.29 4.32 0.00 2.98 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 0.00 129 A 8.18 4.36 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 0.00 130 A 8.20 4.03 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 *132 A 8.20 4.03 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 0.00 133 G 8.86 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 0.00 134 T 7.16 3.95 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 0.00 135 E 8.66 4.18 0.00 1.94 1.85 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 2.31 2.34 0.00 136 C 8.42 4.97 0.00 2.95 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 L 8.35 4.77 0.00 1.58 1.56 0.97 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 138 I 8.25 4.60 1.84 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 1.47 0.79 0.89 0.00 0.00 139 S 8.66 4.43 0.00 3.57 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 0.00 140 G 7.17 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 W 8.19 4.64 0.00 3.13 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 0.00 142 G 7.90 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 0.00 143 N 8.65 4.32 0.00 2.73 2.77 0.00 0.00 6.80 7.73 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 0.00 144 T 8.36 5.26 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 1.28 0.00 0.00 145 K 7.67 4.17 0.00 1.71 1.68 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.34 1.42 7.81 * Residues marked with a * may have inaccurate shift predictions.