NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.5807 8.1776 115.5628 58.3680 63.9878 172.0367 3 I 4.7285 8.4368 121.9333 58.8805 39.1455 171.6434 4 E 4.8433 10.3257 128.6172 54.3903 32.9130 176.1761 5 I 5.7378 8.4855 123.9454 59.0370 39.4303 174.9697 6 R 4.6810 8.5536 121.3759 54.7912 32.7911 174.1095 7 K 4.5353 8.7136 119.3772 56.7240 32.3823 177.3702 8 L 4.6053 8.5796 124.9174 55.0589 42.5061 176.3402 9 S 4.7708 9.0834 115.0593 55.3849 66.6168 175.1009 10 I 3.6157 8.2441 114.0659 64.2209 36.6850 177.9736 11 E 4.0662 8.0800 118.9217 58.8880 29.6231 177.8327 12 D 4.6249 8.2882 117.6510 54.6993 40.9744 177.8050 13 L 3.8389 7.6879 122.6128 58.2821 42.2514 178.8017 14 E 3.9446 8.0122 117.8478 59.8467 29.5639 179.3775 15 T 3.9105 7.8384 115.2333 66.1686 68.4144 176.2532 16 L 3.8111 7.9385 122.5198 58.3178 42.0253 179.2256 17 I 3.7410 7.5933 119.2576 64.4430 36.9866 178.3459 18 E 4.0107 8.1186 119.1806 59.2912 29.1731 179.6400 19 V 3.6421 8.1007 118.1759 65.8234 31.5854 177.8595 20 A 4.2714 8.4297 120.7310 55.3126 18.2630 179.5069 21 R 3.7458 8.3042 117.5078 59.6741 30.0558 178.3782 22 E 4.0348 8.4428 119.1635 59.2353 29.6351 178.7255 23 S 4.2666 8.6340 113.6484 61.2089 62.5483 175.9862 24 W 4.2461 8.5899 121.8550 60.0085 28.6365 178.6621 25 K 4.2383 8.2235 117.0555 59.1349 31.3349 179.0703 26 W 4.3243 8.2392 128.8071 60.8667 30.5490 178.3355 27 T 3.3789 8.3777 114.7118 65.9282 67.9706 175.3801 28 Y 4.3801 7.6064 116.0102 57.3340 37.9989 177.1181 29 A 3.9782 7.3429 124.4710 55.5475 18.3373 180.1516 30 G 3.7119 7.8030 101.2817 47.1404 0.0000 173.7794 31 I 4.0835 8.0285 118.7794 62.2909 39.3768 175.1459 32 Y 4.9025 7.4459 114.4495 55.4826 41.2644 175.9190 33 S 4.5517 8.3631 116.1862 57.8312 65.5776 174.7748 34 E 4.0472 8.9336 123.4316 60.2090 29.1926 179.9219 35 E 3.9987 8.2040 117.6069 59.3716 29.6843 178.2255 36 Y 4.0253 7.9549 119.2644 60.9781 38.8193 178.2818 37 I 3.8623 8.2484 120.4405 64.7146 37.3578 178.0481 38 E 3.9945 8.2527 119.8691 59.3155 29.3880 179.0828 39 S 4.0235 8.4085 115.6855 61.1118 62.8033 176.4023 40 W 3.6772 8.4408 131.2892 60.4165 30.4992 177.9549 41 I 3.2874 7.8944 120.0243 64.5410 36.2813 178.7231 42 R 3.9243 7.7336 117.4980 58.7118 29.8973 178.5022 43 E 4.0200 7.8579 117.6630 58.5976 29.8548 178.4364 44 K 3.9048 8.0247 117.3593 58.0196 32.8834 177.3963 45 Y 4.4635 7.6788 115.8985 57.9168 38.5251 176.7873 46 S 4.3255 7.6943 114.2713 57.8629 65.5132 173.7205 47 K 3.8314 8.5783 123.0936 60.0019 31.8577 179.3514 48 E 3.9547 8.0538 117.9941 59.3342 29.4327 179.5369 49 K 3.9351 7.9304 118.2433 59.4438 32.1785 179.4669 50 L 4.0800 7.8529 119.2666 57.6781 41.3859 179.6732 51 L 3.9287 8.0260 118.9313 57.8664 41.6469 178.9199 52 N 4.2732 8.0899 116.9336 56.8273 38.7874 176.7455 53 E 4.0383 8.4290 119.8991 59.4340 29.6153 179.1560 54 I 3.7882 8.3258 120.3509 64.5690 37.1580 178.6814 55 V 3.6242 8.1670 119.1925 66.0859 31.3748 178.2780 56 R 3.9570 8.1594 117.8685 59.2203 29.8452 179.0522 57 S 4.9603 8.3222 114.3870 61.1080 62.2475 175.9216 58 Q 4.0606 8.0570 121.0568 58.9946 28.7910 177.5232 59 S 4.5322 8.0399 113.4792 57.1884 63.4430 173.6112 60 N 4.3358 7.8614 118.0350 54.4378 37.6115 175.0524 61 L 4.7692 7.5234 124.5264 55.0257 40.4013 177.8898 62 D 4.8931 8.8572 129.2574 54.1804 40.5243 174.3165 63 I 5.0799 7.6266 119.9385 59.6044 41.4068 173.8308 64 L 4.9813 8.9331 127.6730 53.2732 45.0264 174.8915 65 F 5.5369 8.9868 127.5752 56.8704 42.1370 172.9455 66 L 5.4570 9.7005 126.7608 52.8944 45.2533 176.0563 67 G 4.4324 9.2753 107.9356 44.4041 0.0000 171.4338 68 A 5.3700 8.6956 123.6427 50.0730 21.4041 175.9124 69 F 5.0971 9.6125 121.7434 55.6131 42.4093 174.1542 70 A 4.9345 9.2026 126.7330 50.5007 20.5072 176.8800 71 D 4.3053 9.6732 125.5928 55.8929 39.0541 174.8974 72 S 4.1914 8.3940 109.2727 58.4544 61.5612 167.9480 73 T 4.6090 7.8671 116.2632 61.6076 70.3030 173.2453 74 L 3.8700 8.6294 129.1170 55.1579 42.3698 176.0745 75 I 4.2717 8.0544 118.3984 59.8064 39.1255 174.9564 76 G 4.3953 7.5766 109.2072 46.5618 0.0000 172.1178 77 F 5.6166 8.1950 114.9229 55.8011 41.9200 172.8604 78 I 5.3600 9.2903 119.1920 59.4684 41.9537 173.4815 79 E 5.0757 9.6145 128.9016 54.5338 32.8972 173.9928 80 L 5.3174 9.2431 126.3945 52.7640 45.8685 175.1467 81 K 4.9486 8.9370 122.8400 54.7340 35.0140 174.6053 82 I 4.9838 8.7173 128.4860 59.6219 39.4592 175.3271 83 I 4.4703 8.3493 126.8053 60.2830 40.9952 174.6009 84 A 3.6073 8.4295 128.2490 54.0207 16.6975 178.1043 85 N 5.0936 8.7328 109.7015 55.0743 39.4253 174.5428 86 K 4.8144 8.1571 116.3366 54.5857 36.4804 175.8166 87 A 5.2748 8.8845 125.5452 50.1982 22.0993 174.9048 88 E 5.0417 9.3105 122.0994 54.3093 32.4877 174.9473 89 L 4.5878 8.7801 129.9648 54.4196 41.3341 176.2636 90 L 4.3823 8.6169 127.1132 57.5520 42.2948 178.2761 91 R 4.9529 7.9021 116.1767 54.9277 35.0023 174.5131 92 L 4.7422 7.7956 125.3743 54.5430 44.2398 174.0449 93 Y 4.6174 8.2424 124.0041 56.1665 42.2762 174.6100 94 L 5.1632 8.3125 122.1892 52.2847 45.5950 176.5932 95 K 4.0350 8.8219 121.4635 56.0050 32.9037 176.5118 96 P 3.2126 0.0000 0.0000 65.5103 31.2001 178.4249 97 E 3.8064 7.8261 115.5913 58.6684 29.4736 177.0111 98 Y 4.2369 7.9285 115.3374 57.6701 37.0311 175.8816 99 T 4.0258 7.4388 111.4548 62.4312 69.6088 173.7696 100 H 3.9940 8.7381 118.6936 57.5459 27.8794 174.9508 101 K 4.5367 7.2801 111.1961 55.2843 33.2360 176.9548 102 K 4.0654 8.3233 116.3546 57.7017 29.4315 178.0269 103 I 3.9319 7.7228 122.9100 64.3421 36.9346 178.4337 104 G 3.3825 7.9272 106.3092 47.3566 0.0000 175.5255 105 K 4.2606 8.2229 121.5284 59.7929 32.3100 178.8778 106 T 3.9184 8.0467 115.9546 66.5662 68.4122 176.4126 107 L 4.0476 8.2564 121.2599 57.9572 41.6721 179.4297 108 L 4.1337 8.2719 120.0161 58.3577 42.0986 179.0642 109 L 4.2253 8.4001 119.2035 57.6986 41.4896 179.4425 110 E 3.9692 8.4156 118.4561 59.3056 29.2501 178.9008 111 A 4.0530 7.8892 119.4774 55.4835 18.4850 179.1836 112 E 3.8874 8.1605 115.6549 59.3565 29.9244 179.1927 113 K 4.0862 8.1203 119.5609 59.4197 32.3162 179.5835 114 I 3.8413 7.7291 118.0394 61.6906 37.0295 177.8414 *116 K 4.1286 8.0641 123.4777 56.2878 33.7845 177.6982 117 K 3.9799 7.8746 118.8638 59.1458 32.1326 177.5010 118 K 4.1538 7.9182 115.5916 56.4309 32.0660 177.6599 119 G 3.8879 7.8654 106.7850 45.7214 0.0000 173.4445 120 I 4.2186 7.5122 120.2266 60.4846 38.0413 175.4452 121 L 5.0325 8.4774 123.5871 54.0324 44.0740 175.1690 122 E 5.1664 8.1573 119.5733 55.1750 33.3756 173.1694 123 C 5.6420 9.4595 127.1080 57.6074 34.8863 172.7358 124 R 5.2382 9.0953 122.2959 54.5454 32.5287 174.4007 125 L 5.0542 8.1474 118.7881 54.8578 44.3824 173.7347 126 Y 4.9890 8.7883 117.6252 56.2606 40.0436 175.6366 127 V 4.6707 8.7187 123.8065 59.6635 34.9882 174.6558 128 H 4.8918 9.3884 124.5416 55.7147 30.1444 176.2598 129 R 3.7632 8.3027 122.5161 59.0377 29.2333 177.6210 130 Q 4.1464 7.9454 114.8877 56.5358 29.4237 176.1729 131 N 4.5089 7.8973 118.9374 52.1803 37.4585 175.2326 132 S 4.2466 8.0070 119.3943 60.8091 63.2100 175.7749 133 V 3.5975 7.7223 120.8536 65.9224 31.2854 178.1415 134 G 3.2917 8.2374 105.1985 47.5701 0.0000 175.0905 135 F 4.3000 8.4029 123.9033 61.1880 39.4187 177.4023 136 S 3.0729 8.3546 113.8157 61.0070 62.2366 176.0529 137 F 3.9022 7.8909 124.2491 61.0818 39.0511 176.7432 138 Y 4.1437 7.7148 116.6301 61.2739 37.5378 178.2391 139 Y 4.6388 7.5487 119.6873 59.2155 37.8729 177.7144 140 K 4.2216 7.4214 118.6599 57.5459 32.1938 177.0545 141 N 4.7705 7.4718 116.2033 52.8476 39.0254 175.6300 142 G 3.8121 7.9769 105.7269 45.1873 0.0000 174.3624 143 F 4.4911 8.2031 118.8223 56.7437 40.4406 174.8898 144 K 4.7199 8.5735 121.0183 54.2723 35.3784 176.3218 145 V 3.8741 8.3826 124.0997 63.2843 31.4634 175.3028 146 E 4.5898 9.1072 126.7065 56.9883 31.9221 174.8365 147 D 4.6148 7.5211 117.4696 54.2347 44.7555 174.1899 148 T 5.0428 8.5336 110.0228 59.9163 71.6247 173.4946 149 D 4.4729 8.9926 122.4660 53.9132 44.2420 175.3495 150 G 3.7478 8.3904 118.4119 47.1424 0.0000 174.6481 151 S 4.1798 8.6185 119.1028 58.9125 63.6875 172.9622 152 D 5.2931 8.0353 121.9238 52.8256 43.7641 175.3768 153 F 5.1570 8.9109 120.3051 57.0113 40.8455 175.3416 154 I 4.7643 8.7863 123.3239 59.0058 39.8112 174.4044 *156 E 4.6517 8.4125 123.9104 56.2935 31.2884 174.3098 157 K 4.3966 8.7410 125.2958 54.5915 35.5695 175.0417 158 K 4.8137 8.1712 125.7403 54.7437 34.9884 175.7828 159 Y 4.3447 8.6355 119.7421 58.2528 38.2613 175.5313 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 2 S 8.18 4.58 0.00 3.95 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 3 I 8.44 4.73 1.92 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 0.97 0.96 0.00 0.00 4 E 10.33 4.84 0.00 1.89 1.88 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 2.26 2.40 0.00 5 I 8.49 5.74 1.95 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.91 1.02 0.00 0.00 6 R 8.55 4.68 0.00 1.85 1.99 0.00 2.82 0.00 0.00 3.12 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.69 0.00 7 K 8.71 4.54 0.00 1.71 1.86 0.00 1.79 0.00 0.00 1.76 0.00 0.00 2.78 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.54 1.55 7.81 8 L 8.58 4.61 0.00 1.26 1.38 -0.01 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 9 S 9.08 4.77 0.00 3.93 3.91 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 0.00 0.00 0.00 10 I 8.24 3.62 1.85 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 1.62 0.55 0.89 0.00 0.00 11 E 8.08 4.07 0.00 1.93 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 2.30 2.45 0.00 12 D 8.29 4.62 0.00 2.73 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 13 L 7.69 3.84 0.00 1.85 1.64 0.86 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.01 3.94 0.00 2.04 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 2.38 2.38 0.00 15 T 7.84 3.91 4.21 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 1.22 0.00 0.00 16 L 7.94 3.81 0.00 1.58 1.72 -0.01 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 17 I 7.59 3.74 1.98 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 1.66 0.61 0.90 0.00 0.00 18 E 8.12 4.01 0.00 2.16 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 2.51 2.46 0.00 19 V 8.10 3.64 2.42 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 1.32 0.00 0.00 0.98 0.00 0.00 20 A 8.43 4.27 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 21 R 8.30 3.75 0.00 1.80 2.17 0.00 3.10 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 22 E 8.44 4.03 0.00 2.13 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 2.33 2.35 0.00 23 S 8.63 4.27 0.00 4.20 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 24 W 8.59 4.25 0.00 3.65 3.45 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 25 K 8.22 4.24 0.00 1.92 2.03 0.00 1.79 0.00 0.00 1.73 0.00 0.00 3.07 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.63 1.76 7.81 26 W 8.24 4.32 0.00 3.34 3.43 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 0.00 27 T 8.38 3.38 3.54 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 0.19 0.00 0.00 28 Y 7.61 4.38 0.00 3.22 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 29 A 7.34 3.98 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 30 G 7.80 3.71 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 0.00 0.00 0.00 31 I 8.03 4.08 1.45 0.00 0.00 0.61 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 0.49 -0.06 0.00 0.00 32 Y 7.45 4.90 0.00 2.91 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.36 4.55 0.00 4.13 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 0.00 34 E 8.93 4.05 0.00 2.14 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 2.47 2.58 0.00 35 E 8.20 4.00 0.00 2.13 2.03 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 2.43 2.46 0.00 36 Y 7.95 4.03 0.00 3.14 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 37 I 8.25 3.86 2.25 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.89 1.14 0.00 0.00 38 E 8.25 3.99 0.00 2.20 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 2.29 2.33 0.00 39 S 8.41 4.02 0.00 4.03 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 40 W 8.44 3.68 0.00 2.98 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.89 3.29 1.68 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.86 0.73 0.00 0.00 42 R 7.73 3.92 0.00 1.77 1.91 0.00 3.10 0.00 0.00 3.18 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.75 0.00 43 E 7.86 4.02 0.00 1.59 1.68 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 2.15 2.33 0.00 44 K 8.02 3.90 0.00 1.42 1.51 0.00 1.18 0.00 0.00 1.09 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.40 7.81 45 Y 7.68 4.46 0.00 2.98 2.91 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 0.00 0.00 0.00 46 S 7.69 4.33 0.00 3.98 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 47 K 8.58 3.83 0.00 1.79 1.89 0.00 1.65 0.00 0.00 1.79 0.00 0.00 2.91 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.51 1.52 7.81 48 E 8.05 3.95 0.00 2.01 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 2.37 2.44 0.00 49 K 7.93 3.94 0.00 1.74 1.92 0.00 1.75 0.00 0.00 1.51 0.00 0.00 2.83 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.39 7.81 50 L 7.85 4.08 0.00 1.69 1.71 1.02 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 51 L 8.03 3.93 0.00 1.91 1.70 0.92 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 52 N 8.09 4.27 0.00 2.77 2.98 0.00 0.00 7.30 7.71 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 53 E 8.43 4.04 0.00 2.36 2.19 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 2.31 2.43 0.00 54 I 8.33 3.79 2.06 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.82 0.83 0.00 0.00 55 V 8.17 3.62 2.22 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 1.04 0.00 0.00 0.93 0.00 0.00 56 R 8.16 3.96 0.00 2.08 2.11 0.00 3.19 0.00 0.00 3.36 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 57 S 8.32 4.96 0.00 4.11 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 0.00 58 Q 8.06 4.06 0.00 2.27 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.91 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 59 S 8.04 4.53 0.00 3.90 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 60 N 7.86 4.34 0.00 2.86 2.88 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 61 L 7.52 4.77 0.00 1.77 0.85 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 62 D 8.86 4.89 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 63 I 7.63 5.08 1.92 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 1.24 0.97 1.01 0.00 0.00 64 L 8.93 4.98 0.00 1.77 1.54 1.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 65 F 8.99 5.54 0.00 3.09 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 L 9.70 5.46 0.00 1.76 1.67 1.02 0.64 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 67 G 9.28 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 0.00 0.00 0.00 0.00 68 A 8.70 5.37 1.20 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 0.00 0.00 69 F 9.61 5.10 0.00 2.88 2.91 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 0.00 0.00 0.00 70 A 9.20 4.93 1.16 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 71 D 9.67 4.31 0.00 2.77 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 72 S 8.39 4.19 0.00 4.01 4.09 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 73 T 7.87 4.61 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 1.19 0.00 0.00 74 L 8.63 3.87 0.00 1.22 1.42 0.21 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 75 I 8.05 4.27 0.96 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.31 0.60 0.29 0.00 0.00 76 G 7.58 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 77 F 8.19 5.62 0.00 3.42 3.16 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 78 I 9.29 5.36 1.98 0.00 0.00 1.00 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 1.92 1.07 0.00 0.00 79 E 9.61 5.08 0.00 1.28 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 1.86 1.47 0.00 80 L 9.24 5.32 0.00 1.64 1.55 1.01 0.86 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 81 K 8.94 4.95 0.00 1.79 1.64 0.00 1.59 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.38 7.81 82 I 8.72 4.98 1.89 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 1.25 0.66 0.96 0.00 0.00 83 I 8.35 4.47 1.90 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 1.25 0.79 0.93 0.00 0.00 84 A 8.43 3.61 1.19 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 0.00 0.00 85 N 8.73 5.09 0.00 2.72 2.84 0.00 0.00 6.52 7.61 0.00 0.00 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 K 8.16 4.81 0.00 1.72 1.69 0.00 1.66 0.00 0.00 1.87 0.00 0.00 2.87 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.39 7.81 87 A 8.88 5.27 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 88 E 9.31 5.04 0.00 2.08 1.86 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 2.31 2.53 0.00 89 L 8.78 4.59 0.00 1.74 1.56 0.92 1.10 0.00 0.00 0.00 0.00 0.00 0.00 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2.22 0.00 98 Y 7.93 4.24 0.00 3.00 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 99 T 7.44 4.03 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 1.04 0.00 0.00 100 H 8.74 3.99 0.00 3.31 3.38 0.00 5.67 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 0.00 101 K 7.28 4.54 0.00 1.74 1.77 0.00 1.83 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.53 7.81 102 K 8.32 4.07 0.00 2.03 1.99 0.00 1.69 0.00 0.00 1.85 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.47 7.81 103 I 7.72 3.93 1.88 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.78 0.91 0.00 0.00 104 G 7.93 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 0.00 0.00 0.00 105 K 8.22 4.26 0.00 2.07 2.09 0.00 1.78 0.00 0.00 1.86 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.58 1.78 7.81 106 T 8.05 3.92 4.46 0.00 0.00 0.00 0.00 0.00 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 0.00 107 L 8.26 4.05 0.00 1.90 1.82 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 108 L 8.27 4.13 0.00 2.15 2.11 1.25 0.77 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 0.00 109 L 8.40 4.23 0.00 1.78 1.74 0.97 1.28 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 0.00 110 E 8.42 3.97 0.00 2.30 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 2.38 2.53 0.00 111 A 7.89 4.05 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 0.00 112 E 8.16 3.89 0.00 2.10 1.82 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 2.29 2.58 0.00 113 K 8.12 4.09 0.00 1.89 1.99 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.48 7.81 114 I 7.73 3.84 1.89 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 1.43 1.03 0.93 0.00 0.00 *116 K 8.06 4.13 0.00 1.63 1.81 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.83 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.37 1.39 7.81 117 K 7.87 3.98 0.00 1.96 1.90 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.41 7.81 118 K 7.92 4.15 0.00 1.82 1.83 0.00 1.83 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.39 7.81 119 G 7.87 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 0.00 0.00 0.00 120 I 7.51 4.22 1.87 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 1.43 0.50 1.00 0.00 0.00 121 L 8.48 5.03 0.00 1.61 1.69 0.95 0.83 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 0.00 122 E 8.16 5.17 0.00 2.04 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 123 C 9.46 5.64 0.00 3.26 2.94 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 0.00 124 R 9.10 5.24 0.00 1.91 2.00 0.00 2.85 0.00 0.00 3.28 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 125 L 8.15 5.05 0.00 1.56 1.55 0.51 -1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 126 Y 8.79 4.99 0.00 2.88 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 0.00 127 V 8.72 4.67 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 1.26 0.00 0.00 1.21 0.00 0.00 128 H 9.39 4.89 0.00 3.30 3.25 0.00 5.72 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 0.00 129 R 8.30 3.76 0.00 1.26 1.21 0.00 2.89 0.00 0.00 2.89 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.37 0.00 130 Q 7.95 4.15 0.00 2.01 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.46 0.00 0.00 0.00 0.00 0.00 2.26 2.25 0.00 131 N 7.90 4.51 0.00 2.70 2.87 0.00 0.00 7.10 6.97 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 0.00 132 S 8.01 4.25 0.00 3.85 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 0.00 133 V 7.72 3.60 1.98 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 1.04 0.00 0.00 0.66 0.00 0.00 134 G 8.24 3.29 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 0.00 135 F 8.40 4.30 0.00 3.25 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 0.00 136 S 8.35 3.07 0.00 3.77 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 0.00 137 F 7.89 3.90 0.00 2.84 2.91 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 0.00 0.00 0.00 138 Y 7.71 4.14 0.00 2.99 2.64 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 0.00 139 Y 7.55 4.64 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 0.00 140 K 7.42 4.22 0.00 1.67 1.75 0.00 1.48 0.00 0.00 1.59 0.00 0.00 3.01 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.42 1.14 7.81 141 N 7.47 4.77 0.00 2.49 2.72 0.00 0.00 7.11 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 0.00 142 G 7.98 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 0.00 143 F 8.20 4.49 0.00 3.05 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 0.00 144 K 8.57 4.72 0.00 1.51 1.60 0.00 1.60 0.00 0.00 1.55 0.00 0.00 2.80 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.28 1.27 7.81 145 V 8.38 3.87 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 0.73 0.00 0.00 0.68 0.00 0.00 146 E 9.11 4.59 0.00 1.79 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 2.39 2.50 0.00 147 D 7.52 4.61 0.00 2.74 2.45 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 0.00 148 T 8.53 5.04 4.21 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 1.33 0.00 0.00 149 D 8.99 4.47 0.00 2.86 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 0.00 150 G 8.39 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 0.00 0.00 0.00 151 S 8.62 4.18 0.00 3.66 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 0.00 152 D 8.04 5.29 0.00 2.90 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 0.00 153 F 8.91 5.16 0.00 3.14 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 0.00 154 I 8.79 4.76 1.75 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 0.22 1.49 0.60 0.00 0.00 *156 E 8.41 4.65 0.00 2.07 1.82 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 2.21 2.32 0.00 157 K 8.74 4.40 0.00 0.79 0.74 0.00 0.61 0.00 0.00 0.94 0.00 0.00 2.50 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.30 0.80 7.81 158 K 8.17 4.81 0.00 1.45 1.55 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.63 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.27 1.31 7.81 159 Y 8.64 4.34 0.00 2.73 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 * Residues marked with a * may have inaccurate shift predictions.