NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.3482 8.1593 117.3752 62.7689 69.9284 173.3977 2 P 4.3175 0.0000 0.0000 62.3351 32.2043 175.5613 *3 Q 4.2509 8.4105 118.2936 56.4053 29.6923 176.3233 4 N 5.0028 7.4564 113.1288 51.5458 41.7232 174.8869 5 I 3.7159 8.2027 119.3505 64.2528 37.8307 177.8214 6 T 3.8785 7.7483 116.4279 66.6869 68.1957 176.3636 7 D 4.3535 8.1228 119.7323 57.1864 40.8257 178.2090 8 L 4.1349 7.8064 120.5909 58.3103 41.9151 178.2230 9 C 4.3651 8.1229 117.8034 59.2259 43.3372 175.3302 10 A 3.8756 7.6416 121.9108 54.7491 18.0146 178.0829 11 E 4.0772 7.7337 113.4253 57.5355 29.7537 176.3189 12 Y 4.6318 7.5605 116.5442 56.3325 41.0985 175.0170 13 H 4.8476 8.8104 119.7445 55.2486 30.7444 174.5290 14 N 4.2428 8.7059 115.5991 54.2156 35.6158 172.6561 15 T 4.8884 6.8627 109.7079 61.5070 71.5637 172.9358 16 Q 4.5275 8.0325 121.5597 55.5755 32.1165 172.2764 17 I 4.7265 8.4274 125.6537 60.3749 39.3543 174.6492 18 H 4.8632 8.7362 122.4060 54.3407 31.8198 172.9191 19 T 4.4568 8.5886 120.2292 62.6925 68.8080 174.0592 20 L 4.0871 8.4676 126.6392 55.3208 42.9128 177.8785 21 N 4.1877 7.9162 113.0905 53.2505 36.3202 173.4449 22 D 4.7235 7.6962 115.1244 52.6238 45.0717 174.6398 23 K 4.7952 8.4634 123.6085 56.1699 33.2899 176.5213 24 I 3.4926 8.1220 121.2160 61.1586 37.7067 176.2013 25 F 4.5400 8.6392 128.7893 60.8901 40.0794 175.6645 26 S 4.4318 7.8718 109.0540 56.6761 66.6421 172.3749 27 Y 4.8701 7.6639 122.6196 56.0803 41.0486 174.7013 28 T 4.4475 7.8025 122.0232 61.6330 72.7643 172.5580 29 E 4.9313 8.2942 124.6893 54.6574 33.1165 174.1743 30 S 4.7823 8.7881 119.9177 56.5088 65.9147 174.0211 31 L 4.6164 8.6154 124.4884 55.0377 41.4758 176.4771 32 A 4.0430 7.7220 124.1670 52.0095 18.8727 177.4388 33 G 3.9821 8.6155 110.3774 47.2605 0.0000 173.4462 34 K 3.9483 9.1423 120.3857 57.0749 29.9249 176.0262 35 R 4.6111 7.7994 117.4840 55.5896 31.4362 176.0280 36 E 4.8559 8.4530 119.4809 55.1539 30.0795 175.6168 37 M 4.8391 8.1179 120.8956 54.2679 35.2602 173.0218 38 A 5.0806 8.3607 118.6568 50.1482 22.8024 175.3805 39 I 5.1474 8.2982 120.4020 59.4375 41.1319 174.6306 40 I 5.5482 8.9974 120.1706 58.4712 40.7277 174.5837 41 T 5.2835 8.0175 113.0511 60.1353 72.7265 172.2603 42 F 5.2251 8.7352 121.8216 55.8306 42.6693 177.4875 43 K 3.6194 9.1751 121.4201 57.7488 31.4868 176.9484 44 N 4.7216 8.1705 114.2600 53.0110 37.2191 175.6200 45 G 3.9435 7.9869 109.4945 45.8723 0.0000 174.6268 46 A 3.9319 7.9059 122.5675 52.5466 19.0867 176.8105 47 T 4.9016 8.0311 119.0852 61.9899 71.3407 173.9267 48 F 5.3594 9.1259 122.2734 56.0348 44.0507 173.5047 49 Q 5.2152 9.1021 118.4309 54.5160 32.4883 174.3017 50 V 4.5182 8.4176 121.0688 61.5021 32.8341 175.4566 51 E 4.3867 8.9159 127.4512 56.2025 30.3785 176.9247 52 V 4.0274 8.1012 121.8186 61.6136 32.3299 174.2388 53 P 4.2234 0.0000 0.0000 62.8452 32.3801 176.2106 54 G 4.1540 8.3697 109.3018 45.1744 0.0000 173.0018 55 S 4.1844 8.7610 113.3486 61.1747 62.7709 175.6372 56 Q 3.9944 8.0559 118.6672 58.3221 28.7032 175.4609 57 H 4.8115 7.7236 115.6583 54.2974 30.2708 175.0320 58 I 4.2841 8.0281 117.0235 59.6296 39.0990 176.7099 59 D 4.4279 8.5565 120.3946 57.3640 40.7583 179.2449 60 S 4.2560 7.9931 112.3810 60.7490 63.6010 175.9582 61 Q 4.1925 8.0697 120.1698 58.4493 28.0261 178.3431 62 K 3.9997 7.8757 120.4399 59.2509 32.0291 179.3090 63 K 4.1109 8.0570 118.4784 59.7440 32.7338 178.8915 64 A 4.1479 7.9773 121.2173 54.4114 18.5776 179.5753 65 I 3.7152 7.7782 118.8956 64.7007 37.1593 178.4454 66 E 4.0322 7.8802 118.1595 59.2383 29.2725 179.2289 67 R 4.0401 8.0082 118.9111 59.8159 30.1319 178.3012 68 M 4.1351 8.0767 117.8747 58.3868 32.2251 178.3760 69 K 4.1906 8.0613 118.4505 59.1609 32.2618 179.1683 70 D 4.3025 7.8804 119.0533 57.7082 40.8240 178.7479 71 T 3.8648 7.8941 116.1759 66.7239 68.4080 176.7268 72 L 4.0188 7.7956 120.3388 57.5855 41.5707 179.3146 73 R 2.5195 7.4441 118.1952 58.9293 30.0207 177.8955 74 I 3.9406 7.5238 116.2044 62.1501 38.1502 177.2396 75 A 4.1053 7.9811 123.1740 54.5451 18.4855 178.6632 76 Y 4.0342 8.0533 118.1926 61.0119 38.6163 178.6785 77 L 3.5665 7.2979 118.5980 57.6925 41.7667 178.9990 78 T 4.0150 7.7642 107.3686 61.5062 68.7097 174.3272 79 E 3.3783 7.6260 119.3929 57.3152 27.7395 174.4369 80 A 4.1969 7.7285 120.2174 51.6309 19.7671 177.7767 81 K 4.2745 8.7040 124.1734 56.3073 33.6372 175.8309 82 V 4.2914 8.3634 121.4369 60.4630 32.9470 176.3846 83 E 4.0418 9.1057 127.9427 58.7061 30.2037 176.3859 84 K 5.5359 7.9327 117.1264 53.9902 37.5033 174.7541 85 L 4.9647 8.1588 121.6478 53.0198 44.9087 176.0387 86 C 4.8543 8.5503 124.6411 56.1711 39.2645 172.8184 87 V 4.8884 8.5498 118.1153 59.5574 36.7212 174.1575 88 W 5.2031 9.3727 122.0622 54.6665 30.2116 176.7535 89 N 4.5474 9.0873 122.2326 52.6543 37.6214 175.0962 90 N 4.9001 8.1610 116.1063 52.6909 37.7349 174.3721 91 K 4.6943 7.9425 116.5334 55.3523 35.6909 175.9558 92 T 4.4400 8.1882 116.1719 61.1340 70.3860 172.3793 93 P 4.6085 0.0000 0.0000 61.9232 33.1863 175.6877 94 H 4.8191 8.6698 116.5420 56.4388 29.8188 174.4528 95 A 5.3727 8.7707 124.2769 50.5068 21.0837 176.3964 96 I 4.1275 8.8985 123.8439 61.4565 37.2768 175.8373 97 A 4.4491 8.4341 127.4983 52.8775 21.2013 176.2402 98 A 4.5232 7.2386 114.1658 51.1070 22.7288 175.1917 99 I 5.0451 8.1964 118.7499 59.1580 41.4823 174.5738 100 S 4.9058 8.9278 121.8899 56.7596 66.3037 172.6469 101 M 5.2407 8.4390 120.2802 53.7096 34.7641 174.6519 102 A 4.4785 8.7293 123.5640 51.8072 22.9748 175.9625 103 N 4.4849 8.7954 117.0960 53.9126 38.7296 174.4501 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 1 T 8.16 4.35 4.25 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 1.22 0.00 0.00 2 P 0.00 4.32 0.00 2.41 2.08 0.00 3.51 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 2.01 2.16 0.00 *3 Q 8.41 4.25 0.00 2.10 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.77 0.00 0.00 0.00 0.00 0.00 2.26 1.91 0.00 4 N 7.46 5.00 0.00 2.91 2.90 0.00 0.00 5.90 7.27 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 5 I 8.20 3.72 1.83 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.24 0.87 0.00 0.00 6 T 7.75 3.88 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 1.19 0.00 0.00 7 D 8.12 4.35 0.00 2.67 2.73 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 8 L 7.81 4.13 0.00 1.84 1.85 0.92 1.09 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 9 C 8.12 4.37 0.00 3.20 3.02 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 10 A 7.64 3.88 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 11 E 7.73 4.08 0.00 2.04 1.73 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 2.30 2.49 0.00 12 Y 7.56 4.63 0.00 2.82 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 13 H 8.81 4.85 0.00 3.23 3.27 0.00 5.87 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 N 8.71 4.24 0.00 3.17 2.96 0.00 0.00 6.21 7.05 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 15 T 6.86 4.89 4.48 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 1.30 0.00 0.00 16 Q 8.03 4.53 0.00 2.08 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.70 0.00 0.00 0.00 0.00 0.00 2.07 2.17 0.00 17 I 8.43 4.73 1.82 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 1.28 0.93 0.86 0.00 0.00 18 H 8.74 4.86 0.00 3.01 3.13 0.00 5.79 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 T 8.59 4.46 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 1.18 0.00 0.00 20 L 8.47 4.09 0.00 1.44 1.33 0.49 0.72 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 21 N 7.92 4.19 0.00 2.78 2.82 0.00 0.00 6.61 8.06 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 22 D 7.70 4.72 0.00 2.85 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.46 4.80 0.00 1.95 1.96 0.00 1.24 0.00 0.00 0.61 0.00 0.00 2.80 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.52 1.50 7.81 24 I 8.12 3.49 1.98 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.52 0.92 0.00 0.00 25 F 8.64 4.54 0.00 3.13 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 26 S 7.87 4.43 0.00 3.85 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 Y 7.66 4.87 0.00 2.43 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 28 T 7.80 4.45 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 1.06 0.00 0.00 29 E 8.29 4.93 0.00 1.63 1.69 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 2.18 2.32 0.00 30 S 8.79 4.78 0.00 3.85 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 31 L 8.62 4.62 0.00 1.76 1.72 0.92 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.72 4.04 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 33 G 8.62 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 34 K 9.14 3.95 0.00 2.17 1.91 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.34 1.01 7.81 35 R 7.80 4.61 0.00 1.88 1.84 0.00 3.19 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 36 E 8.45 4.86 0.00 1.96 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 2.35 2.31 0.00 37 M 8.12 4.84 0.00 2.04 2.28 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.69 0.00 38 A 8.36 5.08 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 39 I 8.30 5.15 1.76 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 0.99 0.94 0.00 0.00 40 I 9.00 5.55 1.77 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 2.01 1.04 0.00 0.00 41 T 8.02 5.28 4.27 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 1.22 0.00 0.00 42 F 8.74 5.23 0.00 3.22 3.07 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 0.00 0.00 0.00 0.00 43 K 9.18 3.62 0.00 1.77 1.74 0.00 1.80 0.00 0.00 1.76 0.00 0.00 2.92 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.01 7.81 44 N 8.17 4.72 0.00 2.81 2.94 0.00 0.00 6.16 7.00 0.00 0.00 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 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 46 A 7.91 3.93 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 47 T 8.03 4.90 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 1.14 0.00 0.00 48 F 9.13 5.36 0.00 3.04 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 49 Q 9.10 5.22 0.00 2.15 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.83 0.00 0.00 0.00 0.00 0.00 2.59 2.38 0.00 50 V 8.42 4.52 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 1.00 0.00 0.00 1.02 0.00 0.00 51 E 8.92 4.39 0.00 1.96 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 2.35 2.40 0.00 52 V 8.10 4.03 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 0.94 0.00 0.00 1.06 0.00 0.00 53 P 0.00 4.22 0.00 2.04 1.90 0.00 3.71 0.00 0.00 3.74 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 54 G 8.37 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 0.00 0.00 0.00 55 S 8.76 4.18 0.00 3.97 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 56 Q 8.06 3.99 0.00 2.03 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.99 0.00 0.00 0.00 0.00 0.00 2.03 1.99 0.00 57 H 7.72 4.81 0.00 3.15 3.27 0.00 5.84 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 I 8.03 4.28 1.90 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.70 0.93 0.00 0.00 59 D 8.56 4.43 0.00 2.74 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 60 S 7.99 4.26 0.00 4.01 4.03 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 61 Q 8.07 4.19 0.00 2.42 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.83 0.00 0.00 0.00 0.00 0.00 2.48 2.47 0.00 62 K 7.88 4.00 0.00 2.00 1.87 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.46 1.32 7.81 63 K 8.06 4.11 0.00 1.99 2.08 0.00 1.51 0.00 0.00 1.84 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.69 1.52 7.81 64 A 7.98 4.15 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 65 I 7.78 3.72 2.01 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 1.54 1.04 0.91 0.00 0.00 66 E 7.88 4.03 0.00 2.04 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 2.50 2.47 0.00 67 R 8.01 4.04 0.00 2.01 2.04 0.00 3.10 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 68 M 8.08 4.14 0.00 2.37 2.15 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.67 0.00 69 K 8.06 4.19 0.00 2.09 1.94 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.55 1.64 7.81 70 D 7.88 4.30 0.00 2.88 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 71 T 7.89 3.86 4.39 0.00 0.00 0.00 0.00 0.00 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 72 L 7.80 4.02 0.00 1.82 1.85 1.06 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 73 R 7.44 2.52 0.00 1.18 1.81 0.00 3.03 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.21 0.00 74 I 7.52 3.94 1.80 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.04 0.93 0.00 0.00 75 A 7.98 4.11 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 76 Y 8.05 4.03 0.00 3.03 3.13 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 0.00 0.00 0.00 0.00 77 L 7.30 3.57 0.00 1.52 1.60 0.90 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 78 T 7.76 4.01 4.19 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 1.22 0.00 0.00 79 E 7.63 3.38 0.00 2.07 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.22 0.00 80 A 7.73 4.20 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 81 K 8.70 4.27 0.00 1.89 1.72 0.00 1.77 0.00 0.00 1.87 0.00 0.00 2.83 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.72 1.50 7.81 82 V 8.36 4.29 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 0.90 0.00 0.00 0.99 0.00 0.00 83 E 9.11 4.04 0.00 2.06 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 2.28 2.27 0.00 84 K 7.93 5.54 0.00 1.63 1.54 0.00 1.62 0.00 0.00 1.70 0.00 0.00 2.79 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.40 1.21 7.81 85 L 8.16 4.96 0.00 1.13 1.18 0.40 0.72 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 86 C 8.55 4.85 0.00 2.89 2.72 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 87 V 8.55 4.89 2.34 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 0.84 0.00 0.00 1.16 0.00 0.00 88 W 9.37 5.20 0.00 3.41 3.15 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 89 N 9.09 4.55 0.00 2.57 2.86 0.00 0.00 6.24 8.04 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 90 N 8.16 4.90 0.00 2.89 3.00 0.00 0.00 5.91 7.13 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 91 K 7.94 4.69 0.00 1.95 1.78 0.00 1.72 0.00 0.00 1.69 0.00 0.00 3.07 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.39 1.55 7.81 92 T 8.19 4.44 4.25 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 1.19 0.00 0.00 93 P 0.00 4.61 0.00 2.12 1.98 0.00 3.93 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 94 H 8.67 4.82 0.00 3.40 3.51 0.00 5.60 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 A 8.77 5.37 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 96 I 8.90 4.13 1.95 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.84 0.92 0.00 0.00 97 A 8.43 4.45 -0.12 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 98 A 7.24 4.52 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 I 8.20 5.05 1.85 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.12 0.90 0.00 0.00 100 S 8.93 4.91 0.00 3.87 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 0.00 101 M 8.44 5.24 0.00 1.87 1.98 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.52 0.00 102 A 8.73 4.48 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 0.00 103 N 8.80 4.48 0.00 2.89 2.82 0.00 0.00 6.82 7.56 0.00 0.00 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.