NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *5 T 4.3346 8.1744 112.9183 60.3849 70.6668 174.2443 6 S 4.1540 8.1119 118.0398 56.3283 62.9936 173.6467 7 Q 4.0662 8.8323 124.7649 58.3384 29.5655 176.6883 8 V 3.9419 7.2534 117.2212 63.5741 32.2785 176.1058 9 R 4.0428 7.2826 120.2206 55.8938 30.3299 175.6750 10 Q 4.3443 8.7397 125.2362 56.1864 31.6820 173.3077 11 N 4.3268 8.9040 124.6953 54.9571 37.4334 173.1462 12 Y 4.7801 7.3216 115.2775 55.6179 39.8950 174.8490 13 H 4.4208 8.4547 129.4713 55.9432 32.1431 175.8956 14 Q 3.8751 8.2782 128.6805 60.8019 27.8754 179.2124 15 D 4.5239 8.2293 120.4083 57.1126 40.8925 179.0264 16 S 3.9740 7.7040 115.1711 61.3813 62.9718 175.9002 17 E 3.7886 7.8436 122.0116 59.3873 29.4676 178.7337 18 A 3.9599 8.1840 120.6362 55.2189 18.4413 179.5008 19 A 3.9863 7.9971 119.1803 55.1136 18.2862 180.0354 20 I 3.6796 7.7678 118.5452 64.6861 36.6922 178.2924 21 N 4.3905 8.2521 119.6858 57.0340 38.3193 178.3818 22 R 4.0020 7.9341 121.6810 61.3306 29.4815 180.9238 23 Q 4.1686 8.1735 120.4512 59.1433 28.9127 178.3002 24 I 3.7247 8.0632 121.1255 64.5116 37.1363 177.9574 25 N 4.3575 7.8331 116.7869 56.4869 38.8559 176.6796 26 L 4.0698 7.9865 121.8145 58.4142 42.2117 178.9009 27 E 4.1484 8.5343 118.5515 59.3555 29.5046 179.3205 28 L 4.0652 7.8970 119.1383 57.9583 41.6867 178.9473 29 Y 4.2027 8.3485 119.2873 60.7190 38.8891 177.8874 30 A 3.8224 8.2758 121.7769 55.0157 18.4401 179.5549 31 S 4.2157 8.1774 111.8165 61.6168 62.4549 175.7942 32 Y 4.4210 7.9366 121.9311 60.7431 38.5196 177.8412 33 V 3.3481 7.3411 119.1329 66.4894 31.5236 177.6020 34 Y 4.0695 7.5232 115.7663 60.9267 37.5186 178.4704 35 L 4.1440 8.0764 121.4242 58.0866 41.9857 179.0277 36 S 4.2193 7.8788 112.1215 61.8332 62.6262 175.5470 37 M 3.5783 7.9089 121.5087 58.2689 31.6385 178.5477 38 S 4.4581 8.1945 113.0245 61.9716 62.7284 175.6851 39 Y 4.2492 8.1303 118.0763 59.7472 37.4668 177.5112 40 Y 4.1526 7.9069 121.9899 60.5660 39.1193 176.8794 41 F 4.2438 8.3330 116.5161 58.7621 39.3471 176.0588 42 D 4.7070 7.5071 118.7368 54.4255 41.6483 176.7149 43 R 4.1525 7.4290 118.8022 56.5505 30.5421 177.5039 44 D 4.4493 8.6570 120.7340 55.7223 39.6449 176.6981 45 D 4.7564 7.9177 117.6979 52.9352 39.3613 175.9977 46 V 3.9100 6.8867 116.1682 63.1223 34.0071 175.1847 47 A 3.8742 8.3604 121.5177 53.7146 16.4843 178.8458 48 L 4.7571 8.0066 124.1145 52.1734 42.5419 178.8233 49 K 4.0756 8.3236 128.0487 59.3456 31.8540 177.5633 50 N 4.6365 8.7761 115.4613 55.5021 38.7306 177.5316 51 F 3.4215 8.2641 118.7915 60.2697 38.9091 177.0002 52 A 4.2791 8.1609 122.6826 56.1469 18.3176 180.5849 53 K 3.9726 7.8810 121.5004 59.7212 31.8344 180.6167 54 Y 4.0409 7.8326 119.9820 60.8873 38.7781 178.1750 55 F 4.3167 7.8947 118.1101 59.7508 38.9609 177.6179 56 L 3.9582 7.7256 120.5781 58.2606 41.9033 178.3377 57 H 4.1044 7.9586 117.8410 59.2679 29.7707 177.2552 58 Q 3.5199 7.5228 119.5488 58.6067 28.1760 178.7064 59 S 4.1466 7.7046 114.0987 61.8759 62.5735 176.0485 60 H 4.3436 8.0753 121.3146 59.2626 28.3148 178.1512 61 E 3.8142 7.9016 120.1549 61.3516 29.5307 181.2600 62 E 4.1277 8.0273 119.7653 59.2893 29.4717 179.6311 63 R 4.0311 7.9539 121.1863 60.1109 30.0731 179.1266 64 E 4.1111 8.0815 117.9634 61.1727 29.3018 180.9209 65 H 4.6162 8.3984 116.2987 59.0117 28.7240 177.7750 66 A 4.1652 8.0567 122.1587 55.3645 18.3063 179.6368 67 E 3.9743 8.1786 116.7456 59.1424 29.3861 179.5637 68 K 4.0592 8.0642 119.6956 59.6292 32.3392 178.9755 69 L 4.1417 7.9081 118.0730 57.9643 41.3648 179.3232 70 M 4.0907 8.2809 118.9987 58.2225 31.9730 178.7272 71 K 3.9536 8.0183 119.8002 59.3435 32.5285 178.6522 72 L 3.7058 8.0117 120.8353 57.8970 41.7905 178.6859 73 Q 3.8994 8.0913 119.4752 59.3949 29.1473 178.1476 74 N 4.2987 7.8169 117.4350 56.4221 38.3319 177.4138 75 Q 3.9477 7.6724 118.2073 58.6770 28.5902 178.3722 76 R 4.0331 7.6796 116.6952 55.8553 30.0024 177.7974 77 G 3.7647 7.6903 106.9630 45.7109 0.0000 173.9052 78 G 4.1806 7.9672 109.2827 44.0459 0.0000 173.7289 79 R 4.6266 8.8256 118.1080 54.0233 32.6631 176.0598 80 I 4.1445 8.5136 126.2405 61.5858 37.7488 175.9841 *81 F 4.7043 8.6407 123.3655 54.8052 40.6472 171.3258 82 L 4.7032 8.5555 128.2814 52.9318 43.4054 176.2032 83 Q 4.7500 8.0762 118.2822 52.5906 32.2014 175.5530 84 D 4.5175 8.5079 115.5824 55.9110 41.2675 176.7175 85 I 4.4195 7.9627 122.4815 59.4664 37.9207 175.9913 86 Q 4.2533 8.6897 124.9968 55.1695 29.2723 176.5350 87 K 3.8702 8.8477 122.0259 56.4116 32.5513 174.8746 88 P 4.4960 0.0000 0.0000 63.1345 31.9131 177.0231 89 D 4.4091 8.8879 121.8801 56.0466 40.1093 178.1174 90 C 4.3917 7.3892 115.9252 56.6038 30.2644 176.9325 91 D 4.6314 8.1657 121.3605 54.3581 41.6982 177.8643 92 D 4.8455 7.3161 116.5968 51.0520 42.1958 177.8951 93 W 4.3592 6.8803 123.3311 55.5411 30.1659 177.3350 94 E 4.0093 8.2990 119.7961 57.3915 28.1225 178.6609 95 S 4.8665 7.3771 111.5032 56.0245 66.8357 176.0027 96 G 3.2949 8.8338 108.0579 47.8402 0.0000 175.5758 97 L 4.0273 8.0631 122.9849 57.6765 42.0548 178.4393 98 N 4.3228 8.3391 116.8598 56.7998 38.9229 176.6832 99 A 4.0211 8.2986 122.1234 55.5140 18.4972 179.5751 100 M 4.3867 8.2832 116.8149 58.6491 31.9179 178.8763 101 E 4.0894 8.5609 119.1859 59.4759 29.6228 178.9170 102 C 4.2062 8.5506 118.8292 62.2552 31.6063 175.4858 103 A 3.9577 8.0908 122.6720 54.7738 17.9859 179.3296 104 L 4.0524 8.3093 121.5560 59.2238 42.1667 179.6423 *105 H 4.2036 8.0094 119.0166 59.5689 27.9670 178.9691 106 L 4.1622 8.0136 123.5390 58.3048 41.9136 179.0873 107 E 4.1098 8.4461 118.3444 59.3586 29.2364 179.5441 108 K 4.0626 8.2796 118.6279 59.5570 32.1875 179.1804 109 N 4.4086 8.2577 116.8701 56.2548 38.4723 177.7024 110 V 3.7744 7.9957 119.8517 65.9270 31.6071 177.6671 111 N 4.3965 8.3370 117.0173 56.5054 38.6730 176.7235 112 Q 3.9959 7.9887 121.1763 58.9987 29.1531 178.0688 113 S 4.0812 7.6987 112.8236 61.5294 62.5062 176.2491 114 L 4.0382 7.8999 121.5531 57.7728 41.4558 179.5229 115 L 4.0763 8.3909 119.4563 57.7757 41.5883 179.4345 116 E 4.0293 8.6120 119.1388 59.1597 29.3232 179.1033 117 L 3.9902 8.0594 120.5971 58.3102 42.1506 178.4855 118 H 4.1416 8.3631 118.3531 59.0999 29.7972 177.2263 119 K 4.0477 8.1317 121.3093 59.0463 31.9518 178.7540 120 L 3.8420 7.7638 120.1667 58.0282 42.0500 178.5079 121 A 3.9690 8.2520 121.1496 55.6166 18.2776 179.5905 122 T 3.7801 7.7810 113.9296 67.1366 68.3716 176.5646 123 D 4.4091 7.8495 119.0415 56.8058 40.8987 178.0930 124 K 4.2024 7.8648 116.1666 55.0842 33.7414 176.1386 125 N 4.1194 7.8687 116.2371 54.6316 36.1877 175.3217 126 D 4.8296 8.2981 117.7060 50.9108 42.3544 173.8970 127 P 4.3551 0.0000 0.0000 65.4702 31.4493 177.9669 128 H 4.2305 8.2565 117.8904 59.0327 30.0264 176.8436 129 L 4.0011 8.5049 122.3143 58.1153 41.8929 178.5644 130 C 4.0483 8.1007 116.8561 63.0698 28.0918 175.7426 131 D 4.6217 8.0083 120.3249 56.5681 40.7833 177.8123 132 F 4.1078 8.0830 121.0916 61.4239 39.3225 177.1885 133 I 3.9033 7.9022 118.7710 64.5627 36.0025 178.1394 134 E 3.9829 8.2110 119.3152 60.0485 29.1304 179.7663 135 T 4.0191 8.3297 114.5150 65.8614 68.6514 175.8331 136 H 4.5051 7.9718 115.4157 55.6030 30.4188 175.1275 137 Y 4.3802 8.0595 117.5422 59.1802 39.7956 177.8763 138 L 4.0386 7.8415 119.2348 57.8993 41.9564 178.9727 139 N 4.4366 7.8066 116.3588 57.1066 38.9707 177.5111 140 E 4.0186 8.0443 119.5039 61.0143 29.8906 181.9661 141 Q 4.2538 8.1854 118.6571 59.1574 28.9364 179.2643 142 V 3.7601 7.9137 113.6437 63.9234 31.6199 178.7637 143 K 4.0507 8.0969 118.4605 59.5479 32.5292 179.2737 144 A 3.9952 7.9384 121.7730 55.1965 18.3773 179.6938 145 I 3.7256 7.7320 118.2754 64.2882 37.0678 178.6628 146 K 3.9335 8.0086 120.2824 59.4686 32.0967 178.4232 147 E 3.8553 8.0843 119.4184 59.4286 29.4800 178.8666 148 L 4.2406 8.1004 118.9694 57.3381 41.5606 179.7677 149 G 3.5760 8.0849 106.0081 47.8231 0.0000 175.2295 150 D 4.4305 8.3217 122.2470 57.5189 40.9105 178.8359 151 H 4.3936 8.1683 116.2247 59.0891 28.7707 178.0256 152 V 3.5792 8.0517 120.0310 66.1924 31.2965 178.1008 153 T 3.8311 8.1556 115.5920 66.7545 68.3821 176.1424 154 N 4.3262 8.2056 118.1674 56.4368 38.5678 177.3228 155 L 3.7459 7.5765 120.0558 57.7816 41.6744 179.8943 156 R 3.9423 8.0220 120.1756 60.0070 29.8833 180.0843 157 K 4.0932 8.2413 122.2335 59.8971 31.7485 180.5760 158 M 4.5246 7.9796 117.3940 56.7290 32.0501 177.3303 159 G 4.0343 7.9781 108.2381 45.3469 0.0000 173.5085 160 A 4.5349 8.0058 122.4986 50.8142 19.1753 176.8083 161 P 4.4772 0.0000 0.0000 64.2433 32.1425 177.2562 *170 E 4.3150 7.9630 114.3292 55.3016 31.7049 180.8318 171 S 4.7147 7.9094 113.2135 56.8759 63.4060 174.9903 172 G 3.6638 8.6750 115.5445 47.6718 0.0000 174.8469 173 L 4.0637 7.9788 121.9966 57.7355 42.2700 178.7957 174 A 4.0654 7.6647 119.6957 55.4397 18.4408 179.5970 175 E 4.1760 8.0440 116.6095 59.4061 29.3272 179.0347 176 Y 4.0589 8.1099 119.3727 60.8205 38.8639 178.1667 177 L 4.0688 8.5384 120.2401 57.7427 41.7102 179.2758 178 F 3.9712 8.3099 120.3238 61.3055 38.4218 176.6707 179 D 3.9897 8.2598 117.6765 57.1352 40.4654 178.3178 180 K 3.5578 7.4238 118.8091 59.7274 31.9908 179.0998 181 H 4.2871 8.6365 116.1149 57.9577 28.8278 176.7678 182 T 3.9411 7.0809 116.0876 65.1926 69.0096 176.0381 183 L 3.5835 6.7836 117.5871 55.7491 42.1381 177.1093 *184 G 3.8135 6.8404 112.7835 45.6669 0.0000 172.6750 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 *5 T 8.17 4.33 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 6 S 8.11 4.15 0.00 3.93 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 7 Q 8.83 4.07 0.00 2.19 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.72 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 8 V 7.25 3.94 2.06 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 0.71 0.00 0.00 0.90 0.00 0.00 9 R 7.28 4.04 0.00 1.79 1.86 0.00 3.27 0.00 0.00 3.05 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.83 0.00 10 Q 8.74 4.34 0.00 2.08 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.17 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 11 N 8.90 4.33 0.00 2.87 2.88 0.00 0.00 6.98 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 12 Y 7.32 4.78 0.00 2.89 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 13 H 8.45 4.42 0.00 3.26 3.02 0.00 5.94 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 Q 8.28 3.88 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.68 0.00 0.00 0.00 0.00 0.00 2.37 2.05 0.00 15 D 8.23 4.52 0.00 2.64 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 16 S 7.70 3.97 0.00 3.59 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 17 E 7.84 3.79 0.00 1.61 1.95 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 2.28 2.38 0.00 18 A 8.18 3.96 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 19 A 8.00 3.99 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 20 I 7.77 3.68 2.10 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 1.74 1.07 0.94 0.00 0.00 21 N 8.25 4.39 0.00 2.93 2.88 0.00 0.00 7.19 7.63 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 22 R 7.93 4.00 0.00 1.86 1.93 0.00 3.27 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.50 0.00 23 Q 8.17 4.17 0.00 2.24 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.74 0.00 0.00 0.00 0.00 0.00 2.22 2.39 0.00 24 I 8.06 3.72 2.05 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.17 0.95 0.00 0.00 25 N 7.83 4.36 0.00 2.82 2.96 0.00 0.00 6.83 6.54 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 26 L 7.99 4.07 0.00 1.99 1.82 0.97 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 27 E 8.53 4.15 0.00 2.13 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 0.00 2.64 2.61 0.00 28 L 7.90 4.07 0.00 1.91 1.77 0.95 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 29 Y 8.35 4.20 0.00 3.16 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 30 A 8.28 3.82 1.48 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 0.00 0.00 31 S 8.18 4.22 0.00 4.13 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 0.00 32 Y 7.94 4.42 0.00 3.22 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 33 V 7.34 3.35 1.71 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 0.65 0.00 0.00 0.30 0.00 0.00 34 Y 7.52 4.07 0.00 3.32 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 35 L 8.08 4.14 0.00 2.05 2.08 1.13 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 36 S 7.88 4.22 0.00 3.89 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 37 M 7.91 3.58 0.00 1.13 1.63 0.00 0.00 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.81 0.00 38 S 8.19 4.46 0.00 4.06 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 39 Y 8.13 4.25 0.00 3.20 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 Y 7.91 4.15 0.00 3.16 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 41 F 8.33 4.24 0.00 3.50 3.39 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 0.00 42 D 7.51 4.71 0.00 2.69 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 43 R 7.43 4.15 0.00 1.71 1.87 0.00 3.18 0.00 0.00 2.95 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 44 D 8.66 4.45 0.00 2.77 2.81 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 45 D 7.92 4.76 0.00 2.77 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 46 V 6.89 3.91 1.80 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 0.62 0.00 0.00 0.27 0.00 0.00 47 A 8.36 3.87 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.01 4.76 0.00 1.96 1.98 0.89 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 49 K 8.32 4.08 0.00 1.76 1.83 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.45 1.11 7.81 50 N 8.78 4.64 0.00 2.96 2.62 0.00 0.00 6.86 7.92 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 51 F 8.26 3.42 0.00 2.93 2.18 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 52 A 8.16 4.28 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.88 3.97 0.00 1.78 1.83 0.00 1.82 0.00 0.00 1.57 0.00 0.00 2.85 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.31 7.81 54 Y 7.83 4.04 0.00 2.73 2.60 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 55 F 7.89 4.32 0.00 3.21 3.25 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 56 L 7.73 3.96 0.00 1.84 1.61 0.99 1.38 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 57 H 7.96 4.10 0.00 3.17 3.23 0.00 5.64 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 Q 7.52 3.52 0.00 1.77 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.58 0.00 0.00 0.00 0.00 0.00 1.51 1.35 0.00 59 S 7.70 4.15 0.00 4.08 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 60 H 8.08 4.34 0.00 3.26 3.27 0.00 5.68 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 61 E 7.90 3.81 0.00 2.00 1.96 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 2.25 2.23 0.00 62 E 8.03 4.13 0.00 2.24 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.74 0.00 63 R 7.95 4.03 0.00 1.93 2.15 0.00 3.17 0.00 0.00 3.24 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00 64 E 8.08 4.11 0.00 2.05 1.94 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 2.24 2.22 0.00 65 H 8.40 4.62 0.00 3.58 3.73 0.00 5.61 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 A 8.06 4.17 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 67 E 8.18 3.97 0.00 2.06 2.06 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 2.36 2.50 0.00 68 K 8.06 4.06 0.00 2.13 2.25 0.00 1.63 0.00 0.00 1.61 0.00 0.00 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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 1.45 0.57 1.06 0.00 0.00 86 Q 8.69 4.25 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.25 0.00 87 K 8.85 3.87 0.00 1.78 1.78 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.54 7.81 88 P 0.00 4.50 0.00 2.11 1.84 0.00 3.44 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.46 0.00 89 D 8.89 4.41 0.00 2.70 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 90 C 7.39 4.39 0.00 2.70 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 91 D 8.17 4.63 0.00 2.66 2.56 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 0.00 0.00 0.00 0.00 92 D 7.32 4.85 0.00 2.66 2.44 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 93 W 6.88 4.36 0.00 2.38 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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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 0.00 119 K 8.13 4.05 0.00 2.03 1.93 0.00 1.80 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.43 1.31 7.81 120 L 7.76 3.84 0.00 1.80 1.90 0.86 1.08 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 0.00 121 A 8.25 3.97 1.39 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 0.00 0.00 0.00 122 T 7.78 3.78 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 1.22 0.00 0.00 123 D 7.85 4.41 0.00 2.81 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 0.00 124 K 7.86 4.20 0.00 1.85 1.81 0.00 1.72 0.00 0.00 1.60 0.00 0.00 2.84 0.00 0.00 2.32 0.00 0.00 0.00 0.00 1.30 1.36 7.81 125 N 7.87 4.12 0.00 2.87 2.85 0.00 0.00 6.62 7.36 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 0.00 126 D 8.30 4.83 0.00 2.68 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 0.00 127 P 0.00 4.36 0.00 2.34 2.32 0.00 3.79 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.04 0.00 128 H 8.26 4.23 0.00 3.24 3.37 0.00 5.67 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 0.00 129 L 8.50 4.00 0.00 2.10 1.87 0.99 0.97 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 0.00 130 C 8.10 4.05 0.00 3.20 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 0.00 131 D 8.01 4.62 0.00 2.87 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 0.00 132 F 8.08 4.11 0.00 3.21 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 0.00 133 I 7.90 3.90 2.16 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 1.95 0.92 1.01 0.00 0.00 134 E 8.21 3.98 0.00 2.26 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 2.34 2.43 0.00 135 T 8.33 4.02 4.06 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 0.92 0.00 0.00 136 H 7.97 4.51 0.00 2.50 2.58 0.00 5.59 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 Y 8.06 4.38 0.00 3.15 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 0.00 138 L 7.84 4.04 0.00 1.75 1.72 0.97 0.57 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 0.00 139 N 7.81 4.44 0.00 2.80 2.76 0.00 0.00 7.37 7.53 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 0.00 140 E 8.04 4.02 0.00 2.01 1.94 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 2.31 1.97 0.00 141 Q 8.19 4.25 0.00 2.37 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.78 0.00 0.00 0.00 0.00 0.00 2.62 2.75 0.00 142 V 7.91 3.76 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 1.08 0.00 0.00 0.93 0.00 0.00 143 K 8.10 4.05 0.00 2.02 2.20 0.00 1.30 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.45 7.81 144 A 7.94 4.00 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 0.00 145 I 7.73 3.73 1.91 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 1.46 0.79 0.95 0.00 0.00 146 K 8.01 3.93 0.00 2.01 1.97 0.00 1.53 0.00 0.00 1.58 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.49 7.81 147 E 8.08 3.86 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.15 0.00 148 L 8.10 4.24 0.00 1.85 1.82 1.14 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 149 G 8.08 3.58 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 0.00 0.00 0.00 150 D 8.32 4.43 0.00 2.82 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 0.00 151 H 8.17 4.39 0.00 3.36 3.37 0.00 5.62 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 V 8.05 3.58 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 1.05 0.00 0.00 1.02 0.00 0.00 153 T 8.16 3.83 4.43 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 154 N 8.21 4.33 0.00 3.00 3.05 0.00 0.00 7.11 6.23 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 0.00 155 L 7.58 3.75 0.00 1.63 1.56 -0.01 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 156 R 8.02 3.94 0.00 2.18 1.97 0.00 3.26 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 157 K 8.24 4.09 0.00 1.81 1.73 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.35 7.81 158 M 7.98 4.52 0.00 2.04 2.30 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.61 0.00 159 G 7.98 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 0.00 0.00 0.00 160 A 8.01 4.53 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 0.00 161 P 0.00 4.48 0.00 2.21 2.19 0.00 3.85 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.97 0.00 *170 E 7.96 4.31 0.00 2.04 1.95 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 2.13 1.88 0.00 171 S 7.91 4.71 0.00 3.88 3.89 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 0.00 172 G 8.68 3.66 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 0.00 0.00 0.00 173 L 7.98 4.06 0.00 1.77 1.71 0.89 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 174 A 7.66 4.07 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 0.00 175 E 8.04 4.18 0.00 2.13 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 0.00 2.37 2.51 0.00 176 Y 8.11 4.06 0.00 3.17 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 0.00 177 L 8.54 4.07 0.00 2.13 1.86 1.03 1.47 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 0.00 178 F 8.31 3.97 0.00 3.29 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 0.00 179 D 8.26 3.99 0.00 3.15 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 0.00 180 K 7.42 3.56 0.00 1.55 1.46 0.00 1.48 0.00 0.00 1.34 0.00 0.00 2.36 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.97 1.13 7.81 181 H 8.64 4.29 0.00 3.05 3.24 0.00 5.83 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 T 7.08 3.94 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 0.59 0.00 0.00 183 L 6.78 3.58 0.00 0.99 1.13 -0.08 -0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 *184 G 6.84 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.