NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.4746 8.1776 115.2954 58.6886 62.1033 173.7745 4 T 4.7602 8.1775 116.3092 59.7590 69.0524 174.7555 5 S 4.2812 7.8891 118.6200 61.3972 64.3902 174.9122 6 Y 4.7462 7.4921 121.0809 56.8747 41.5823 172.9482 7 Y 4.3040 7.3062 123.2892 55.2262 40.6202 171.8494 8 P 4.5509 0.0000 0.0000 62.1251 33.6760 174.6624 9 V 4.8478 8.1857 120.9567 61.4633 33.6767 174.5854 10 I 4.4836 8.3021 124.7085 59.9833 40.9284 174.6318 *12 T 4.6240 8.5772 114.0612 62.5849 68.0209 175.4347 13 S 4.5399 8.6459 118.7896 59.1634 64.1011 174.1099 14 D 4.8278 7.9520 121.5995 51.7030 40.9033 175.8622 15 V 3.5231 8.0684 122.8211 65.4802 32.0123 176.8098 16 A 3.9529 7.9788 119.7132 55.2240 18.3448 179.3193 17 A 3.9840 8.1182 118.8166 55.4508 18.3494 180.0548 18 T 3.8219 8.0084 114.0866 66.7660 68.5805 176.6419 19 A 4.0556 8.3306 122.6844 55.3018 18.3212 179.5211 20 A 3.9917 8.3169 119.3106 55.1020 18.4080 179.5419 21 F 4.0335 8.2873 119.1613 61.9355 39.5204 177.1261 22 Y 4.3197 8.1153 115.8743 61.1863 37.3802 178.1971 23 C 4.8234 8.0696 118.5800 62.3049 28.3189 175.5756 24 Q 3.9381 8.2332 120.6096 58.8421 28.7568 177.0076 25 H 4.4854 7.6903 114.0837 55.2904 30.1679 175.1467 26 F 4.6330 7.6253 117.6416 56.7046 40.0754 175.2553 27 G 3.7955 8.1832 107.6225 46.5047 0.0000 173.9632 28 F 5.0474 8.0560 117.7042 56.1056 40.6111 174.8806 29 R 5.0985 8.9299 119.2203 53.6981 33.0848 172.4681 30 P 4.9065 0.0000 0.0000 63.0504 31.6603 175.8598 31 L 4.5695 9.1810 123.3321 55.7407 43.3060 176.7954 32 F 4.7959 7.9146 120.4663 56.6577 43.1159 172.9303 33 E 4.6304 7.9048 125.8402 54.7166 31.5196 173.7085 34 A 4.7514 8.7614 129.4274 49.8446 22.5557 176.2814 35 D 4.5182 8.9291 118.8262 56.5647 41.0363 177.8977 36 W 4.8108 8.1184 114.2324 56.6922 29.5962 174.7362 37 Y 4.7695 6.9927 118.8671 56.5077 42.1778 173.1844 38 V 4.7419 8.1720 126.4161 61.3142 35.2772 173.2981 39 H 4.6937 9.2385 128.2012 54.6697 31.3367 173.3168 40 L 5.1921 8.4387 126.4708 53.2016 44.3304 175.4547 41 Q 5.0699 9.1968 123.1446 54.0536 32.5603 174.2254 42 S 4.1647 9.1093 121.3036 58.1879 62.8202 174.9807 43 A 4.0386 8.6658 130.5748 54.9465 18.2662 178.1312 44 E 4.2812 7.5609 112.1586 56.8920 30.2978 176.1664 45 D 4.4270 7.6837 118.2342 52.4103 42.1684 173.6719 46 P 4.3364 0.0000 0.0000 64.7662 31.4856 177.6392 47 A 4.5546 8.2084 119.1667 52.5103 18.6943 177.0513 48 V 4.3647 8.0992 117.7865 61.2917 32.8115 174.4078 49 N 5.6519 8.7226 124.5117 51.5233 42.7247 173.9908 50 L 4.6175 8.6812 123.2208 53.6041 45.6555 174.6395 51 A 4.8375 8.7073 127.8466 50.1953 22.1280 175.3018 52 I 4.7702 7.9798 120.7178 59.3089 40.6926 174.5108 53 L 5.1944 8.7035 128.5248 52.8589 45.4929 175.2768 54 D 5.2157 8.7881 126.0806 54.1285 41.9943 177.0596 55 G 4.3968 9.0548 114.4592 46.8237 0.0000 173.6441 56 Q 4.4952 8.2154 117.7328 55.5115 29.6936 175.2641 57 H 4.2469 8.3230 119.7642 56.2210 30.2971 176.6442 58 S 4.2010 8.2773 122.4469 61.4207 62.8593 175.7242 59 T 4.0135 7.6737 109.1448 63.5186 68.9486 174.6878 60 I 4.0202 7.6551 124.2960 59.9105 37.8658 174.0577 61 P 4.2167 0.0000 0.0000 62.8045 32.1630 176.8284 62 A 3.9403 8.9809 125.1924 55.4425 18.3524 179.7252 63 A 4.0381 8.0933 116.8885 54.6866 18.5205 178.2950 64 G 3.9401 7.9905 102.8008 45.7105 0.0000 174.5795 65 R 4.2598 7.8590 119.5247 55.4024 31.4019 178.0662 66 G 4.0419 7.4246 107.0578 46.3340 0.0000 170.9828 67 Q 4.7245 7.8097 121.3758 53.7687 32.2550 175.4216 68 V 3.7016 8.3285 124.6433 62.3442 31.7880 175.0447 69 S 4.4283 8.5558 115.8030 57.8330 65.1672 173.0793 70 G 4.0205 8.6531 108.7092 46.5276 0.0000 173.2455 71 L 4.8464 7.6701 119.0187 52.8784 45.9016 174.8766 72 I 5.0306 8.4175 125.3775 59.5051 40.3818 174.6456 73 L 4.4618 8.9709 126.7144 53.2622 43.4901 175.0934 74 N 5.1942 8.4464 121.8226 51.8622 40.1438 174.4849 75 F 4.8644 9.1090 122.5667 55.6104 42.2482 174.2249 76 E 4.9285 8.9826 123.6831 56.0872 30.1791 176.3890 77 V 4.6247 8.9360 116.9567 59.6818 35.3945 175.7854 78 D 4.5346 8.9102 122.1967 56.9466 41.5304 176.6974 79 D 4.8145 7.6607 117.9586 50.5866 41.3213 173.3429 80 P 4.5770 0.0000 0.0000 65.3639 31.6371 178.2406 81 D 4.3853 8.2079 118.3340 57.6188 40.8655 178.8996 82 R 3.9839 8.2513 118.2236 59.2043 29.9585 179.0678 83 E 3.9959 8.2511 118.1672 59.4041 29.4490 178.5862 84 Y 3.1326 8.3123 119.7510 60.3083 38.7182 178.0337 85 A 3.5741 7.8161 121.5181 55.0186 18.4815 179.5790 86 R 3.6634 7.6908 116.9448 59.6448 30.2397 178.8201 87 L 3.8369 7.8486 118.8509 57.5462 41.5946 179.2176 88 Q 3.7439 7.8847 119.9611 59.3047 28.7152 178.4572 89 Q 3.9931 7.5916 117.1388 58.1457 28.8117 177.5563 90 A 4.2602 7.5076 119.9608 52.3542 18.6907 178.0715 91 G 3.8601 7.6985 105.6928 45.1397 0.0000 174.1492 92 L 4.2695 7.4265 119.1512 53.3825 42.2821 175.2805 93 P 4.3463 0.0000 0.0000 62.7774 31.9546 175.4420 94 I 4.6464 8.2996 123.1561 59.9518 37.5874 175.2474 95 L 4.3546 8.8066 126.8861 56.1343 42.3469 177.4584 96 L 4.7580 7.6515 120.7826 53.5688 45.1874 175.8730 97 T 4.3949 8.6149 116.5925 60.8740 70.1522 174.1232 98 L 4.4099 7.8551 122.0967 55.8264 42.0980 177.0295 99 R 4.7074 8.8779 118.4628 55.1711 33.1843 173.9959 100 D 5.0778 8.6653 120.5801 53.9794 41.5246 175.3470 101 E 4.2820 8.4471 122.5218 57.6749 31.4150 175.9679 *105 Q 4.2764 7.4577 115.3166 56.0025 30.2573 173.6858 106 R 5.2162 8.3461 121.3609 55.1751 32.3409 174.5150 107 H 5.8988 9.3618 120.3140 55.9285 32.5734 172.0248 108 F 5.2825 8.3523 112.7292 55.5317 41.9509 173.0338 109 I 4.8433 9.0072 119.7137 60.0963 40.4250 174.7956 110 T 5.5433 8.8667 122.4361 60.6675 70.7747 172.1969 111 A 4.9479 8.5364 120.2666 51.5708 21.9377 175.9938 112 D 3.5969 8.4789 120.9660 51.0408 40.9051 175.8475 113 P 4.0773 0.0000 0.0000 64.7828 31.2088 177.3604 114 N 4.4416 8.2548 114.5603 53.3487 38.7934 176.1337 115 G 3.8430 8.1865 106.9198 45.0930 0.0000 173.7035 116 V 3.7256 7.6852 120.5546 62.7578 32.5455 175.4190 117 L 4.6669 8.7098 128.3244 54.7994 43.2730 176.2451 118 I 4.9957 8.8097 122.8752 59.7987 40.6133 173.9439 119 D 5.0759 9.1577 128.4967 52.6952 43.0991 175.0616 120 I 4.8461 8.1942 128.0457 59.8813 39.1305 174.9284 121 I 5.0531 8.9082 128.2230 59.2189 41.2405 175.8494 122 K 4.3825 9.2400 126.8909 56.5495 32.2598 175.7066 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 S 8.18 4.47 0.00 3.90 3.84 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 4 T 8.18 4.76 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 1.17 0.00 0.00 5 S 7.89 4.28 0.00 3.89 4.11 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 6 Y 7.49 4.75 0.00 2.83 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 7 Y 7.31 4.30 0.00 3.07 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 8 P 0.00 4.55 0.00 2.02 2.05 0.00 3.78 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.78 0.00 9 V 8.19 4.85 2.11 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 0.98 0.00 0.00 1.03 0.00 0.00 10 I 8.30 4.48 1.83 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 1.10 0.41 0.83 0.00 0.00 *12 T 8.58 4.62 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 13 S 8.65 4.54 0.00 4.04 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 14 D 7.95 4.83 0.00 2.66 2.54 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 0.00 0.00 0.00 0.00 15 V 8.07 3.52 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 1.03 0.00 0.00 0.99 0.00 0.00 16 A 7.98 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 17 A 8.12 3.98 1.38 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 0.00 0.00 18 T 8.01 3.82 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 19 A 8.33 4.06 1.36 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 20 A 8.32 3.99 1.40 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 21 F 8.29 4.03 0.00 3.24 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 22 Y 8.12 4.32 0.00 2.98 2.83 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 0.00 0.00 0.00 23 C 8.07 4.82 0.00 3.14 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 24 Q 8.23 3.94 0.00 1.96 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.77 0.00 0.00 0.00 0.00 0.00 1.77 2.17 0.00 25 H 7.69 4.49 0.00 2.24 2.24 0.00 5.65 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 F 7.63 4.63 0.00 3.48 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 27 G 8.18 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 0.00 0.00 0.00 28 F 8.06 5.05 0.00 3.32 2.99 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 29 R 8.93 5.10 0.00 1.82 2.00 0.00 2.78 0.00 0.00 3.22 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.58 0.00 30 P 0.00 4.91 0.00 2.09 2.09 0.00 3.77 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 31 L 9.18 4.57 0.00 1.56 1.80 0.95 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 32 F 7.91 4.80 0.00 3.13 2.83 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 0.00 0.00 0.00 33 E 7.90 4.63 0.00 1.83 1.60 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 2.09 2.22 0.00 34 A 8.76 4.75 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 35 D 8.93 4.52 0.00 2.86 2.87 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 W 8.12 4.81 0.00 3.63 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 37 Y 6.99 4.77 0.00 1.43 1.54 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 0.00 0.00 0.00 0.00 38 V 8.17 4.74 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 0.91 0.00 0.00 0.83 0.00 0.00 39 H 9.24 4.69 0.00 3.24 3.18 0.00 5.61 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 L 8.44 5.19 0.00 1.33 1.52 0.68 0.56 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 41 Q 9.20 5.07 0.00 2.12 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.99 0.00 0.00 0.00 0.00 0.00 2.26 2.53 0.00 42 S 9.11 4.16 0.00 3.43 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 43 A 8.67 4.04 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 44 E 7.56 4.28 0.00 1.94 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 0.00 2.25 2.18 0.00 45 D 7.68 4.43 0.00 2.66 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 P 0.00 4.34 0.00 2.09 2.22 0.00 3.73 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 2.03 2.09 0.00 47 A 8.21 4.55 1.37 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 48 V 8.10 4.36 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 1.18 0.00 0.00 1.02 0.00 0.00 49 N 8.72 5.65 0.00 2.41 2.17 0.00 0.00 6.86 7.85 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 50 L 8.68 4.62 0.00 1.31 0.66 0.63 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.71 4.84 1.09 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 0.00 0.00 0.00 0.00 0.00 0.00 52 I 7.98 4.77 1.65 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.53 0.85 0.00 0.00 53 L 8.70 5.19 0.00 1.74 1.69 1.37 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 54 D 8.79 5.22 0.00 2.96 2.82 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 55 G 9.05 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 56 Q 8.22 4.50 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.76 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 57 H 8.32 4.25 0.00 3.56 3.34 0.00 5.78 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 S 8.28 4.20 0.00 3.73 3.83 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 0.00 0.00 0.00 59 T 7.67 4.01 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 1.06 0.00 0.00 60 I 7.66 4.02 2.02 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.67 0.95 0.00 0.00 61 P 0.00 4.22 0.00 2.18 2.00 0.00 3.64 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.11 0.00 62 A 8.98 3.94 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 63 A 8.09 4.04 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 64 G 7.99 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 R 7.86 4.26 0.00 1.99 2.10 0.00 3.33 0.00 0.00 3.34 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.77 0.00 66 G 7.42 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 0.00 0.00 0.00 0.00 67 Q 7.81 4.72 0.00 2.08 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 7.01 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 68 V 8.33 3.70 2.07 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 0.74 0.00 0.00 0.92 0.00 0.00 69 S 8.56 4.43 0.00 3.81 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 70 G 8.65 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 0.00 0.00 0.00 0.00 71 L 7.67 4.85 0.00 1.71 1.44 0.89 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 72 I 8.42 5.03 1.86 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 0.80 1.03 0.00 0.00 73 L 8.97 4.46 0.00 1.61 1.27 0.90 0.35 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 74 N 8.45 5.19 0.00 2.48 2.69 0.00 0.00 6.95 7.45 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 75 F 9.11 4.86 0.00 2.93 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 76 E 8.98 4.93 0.00 1.90 1.93 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 2.33 2.37 0.00 77 V 8.94 4.62 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 0.79 0.00 0.00 1.03 0.00 0.00 78 D 8.91 4.53 0.00 2.69 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 79 D 7.66 4.81 0.00 2.64 2.51 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 80 P 0.00 4.58 0.00 2.57 2.49 0.00 3.83 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 2.18 2.29 0.00 81 D 8.21 4.39 0.00 2.91 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 82 R 8.25 3.98 0.00 1.91 1.98 0.00 3.15 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.94 0.00 83 E 8.25 4.00 0.00 2.51 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 0.00 2.70 2.59 0.00 84 Y 8.31 3.13 0.00 1.51 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 85 A 7.82 3.57 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 86 R 7.69 3.66 0.00 1.83 1.98 0.00 2.98 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.57 0.00 87 L 7.85 3.84 0.00 1.72 1.69 1.14 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 7.88 3.74 0.00 1.06 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.21 2.30 0.00 89 Q 7.59 3.99 0.00 2.05 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.73 0.00 0.00 0.00 0.00 0.00 2.31 2.41 0.00 90 A 7.51 4.26 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 91 G 7.70 3.86 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 0.00 0.00 0.00 92 L 7.43 4.27 0.00 1.86 1.74 0.62 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 93 P 0.00 4.35 0.00 2.27 2.21 0.00 3.78 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.01 0.00 94 I 8.30 4.65 2.01 0.00 0.00 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 1.51 1.10 1.14 0.00 0.00 95 L 8.81 4.35 0.00 1.67 1.76 1.02 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 96 L 7.65 4.76 0.00 1.75 1.49 0.94 0.75 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 97 T 8.61 4.39 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 1.17 0.00 0.00 98 L 7.86 4.41 0.00 1.30 1.59 0.65 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 99 R 8.88 4.71 0.00 1.86 1.96 0.00 2.78 0.00 0.00 3.19 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.79 0.00 100 D 8.67 5.08 0.00 2.70 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 0.00 101 E 8.45 4.28 0.00 2.02 1.90 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 2.41 2.48 0.00 *105 Q 7.46 4.28 0.00 2.24 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.13 6.89 0.00 0.00 0.00 0.00 0.00 2.25 2.25 0.00 106 R 8.35 5.22 0.00 2.07 1.87 0.00 3.32 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 107 H 9.36 5.90 0.00 3.49 3.35 0.00 5.55 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 F 8.35 5.28 0.00 3.34 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 0.00 109 I 9.01 4.84 1.92 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 1.14 0.75 1.00 0.00 0.00 110 T 8.87 5.54 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 1.57 0.00 0.00 111 A 8.54 4.95 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 0.00 112 D 8.48 3.60 0.00 1.80 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 0.00 113 P 0.00 4.08 0.00 1.89 2.01 0.00 2.95 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.68 0.00 114 N 8.25 4.44 0.00 2.79 2.83 0.00 0.00 7.07 7.40 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 0.00 115 G 8.19 3.84 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 0.00 0.00 0.00 116 V 7.69 3.73 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 1.08 0.00 0.00 0.94 0.00 0.00 117 L 8.71 4.67 0.00 1.68 1.59 0.94 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 118 I 8.81 5.00 1.90 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.91 0.79 0.00 0.00 119 D 9.16 5.08 0.00 2.71 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 0.00 120 I 8.19 4.85 0.99 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 1.30 0.58 1.05 0.00 0.00 121 I 8.91 5.05 1.91 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 1.12 0.76 0.92 0.00 0.00 122 K 9.24 4.38 0.00 1.83 1.67 0.00 1.80 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.40 7.81 * Residues marked with a * may have inaccurate shift predictions.