NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 A 4.3763 8.1233 123.5892 51.9402 20.1456 177.9315 10 N 4.3350 8.6150 119.7412 55.5938 38.5919 176.3912 11 S 4.1778 8.8092 117.9520 61.7226 63.2682 176.1881 12 T 3.8900 7.5210 117.6613 66.5524 68.1070 176.8725 13 V 3.2815 7.5525 119.5353 65.8339 31.7438 177.6688 14 L 3.8379 7.8429 118.5926 57.9444 41.0258 179.3664 15 S 4.2263 8.4594 113.1995 61.5444 62.0242 175.8554 16 F 4.4299 7.8184 121.6605 61.8356 39.3887 176.6065 17 C 3.8518 8.3293 115.9531 62.5084 27.7005 175.6573 18 A 3.7282 8.0097 121.5072 55.2406 17.9801 179.0397 19 F 4.3510 7.4468 110.9214 57.0100 39.6181 176.3067 20 A 4.1643 7.0877 122.2018 51.9535 18.6792 178.3519 21 V 3.8850 8.1117 112.3661 63.0885 32.6058 177.0029 22 D 4.7625 7.5670 118.9869 51.1590 41.7382 173.2558 23 P 4.0824 0.0000 0.0000 65.2325 31.7868 177.5300 24 A 3.9367 7.9154 118.9141 55.0721 18.3175 179.3197 25 K 3.8319 8.3273 117.8785 59.5412 32.2627 178.5433 26 A 3.9957 7.9290 120.4354 55.6342 18.3117 178.7217 27 Y 4.4498 8.2631 117.8831 60.7392 38.7237 178.4200 28 K 3.8266 8.3332 120.6805 59.5043 32.3101 178.5076 29 D 4.3126 8.5198 119.4386 57.6183 40.8474 177.6890 30 Y 4.1968 8.5963 120.2910 61.0772 38.7169 178.2922 31 L 3.6699 7.8569 118.9256 57.9024 41.5828 179.2523 32 A 3.9565 7.6540 119.0212 55.0980 18.3004 178.3322 33 S 4.5743 7.8982 112.2286 58.8013 64.4399 175.5644 34 G 3.7700 7.9203 108.6304 45.4243 0.0000 175.1605 35 G 2.3785 7.1604 108.6045 44.9723 0.0000 173.3951 36 Q 4.1996 8.3488 123.8221 54.2691 29.9473 174.0285 37 P 4.6396 0.0000 0.0000 62.8385 32.0353 175.8784 38 I 4.1344 8.4274 122.4588 61.4014 37.4298 176.3085 39 T 4.4644 8.7991 116.2741 60.8013 71.2234 173.0433 40 N 4.3078 8.7374 114.3179 54.7821 34.3971 174.6860 41 C 4.8084 7.8218 114.4781 57.7377 30.5715 174.8082 42 V 3.8813 8.4453 118.9483 61.5076 32.2389 175.3225 43 K 4.5858 8.5634 124.2776 55.1375 33.9172 175.6941 44 M 4.3351 8.6876 124.8898 53.9532 33.0668 176.1312 45 L 4.1146 8.5711 126.9504 54.2488 41.4472 174.8944 46 C 4.7747 8.1446 119.8863 56.4060 32.7032 174.4389 47 T 4.2582 8.0542 116.3701 62.3947 66.9080 171.4742 48 H 5.0359 8.1328 125.4471 56.2336 27.9120 174.9995 49 T 4.5902 8.7615 108.0186 60.3620 71.7464 175.2456 50 G 4.5624 8.3849 111.8537 45.0838 0.0000 174.0721 51 T 3.9706 8.9690 109.0527 61.9992 68.9143 176.1055 52 G 4.2825 7.6900 110.1132 45.3526 0.0000 174.0879 53 Q 4.0161 7.2364 116.7949 56.3633 29.5044 176.9125 54 A 4.0348 8.3601 121.7190 54.4161 18.8549 177.1613 55 I 5.0420 7.3409 115.0154 59.7232 39.6281 174.6977 56 T 4.8341 9.0103 116.5594 60.0583 72.5393 175.1127 57 V 4.1960 8.6318 113.8041 62.9040 32.0618 176.3873 58 T 4.2410 7.4469 108.1877 58.9769 71.3224 171.5906 59 P 4.0988 0.0000 0.0000 63.5913 31.6463 176.2792 60 E 4.6311 9.9624 124.1497 55.4499 30.8270 175.5471 61 A 4.2227 7.6219 121.6642 52.6017 18.7012 178.7553 62 N 4.9360 8.6386 121.9175 53.1692 40.3108 174.2528 63 M 4.2170 8.5622 117.5376 57.8530 32.2493 176.9205 64 D 5.0758 7.9454 117.8890 54.1194 42.8833 175.6311 65 Q 5.0637 7.8941 116.3784 54.2362 33.9657 173.8418 66 E 4.9015 8.9199 118.0983 54.9961 33.9738 175.2108 67 S 5.3180 8.5135 119.6758 57.2519 64.9529 173.3013 68 F 5.1746 9.7256 123.8059 55.1983 42.6662 175.1246 69 G 3.5436 9.4106 109.2381 46.8898 0.0000 174.5146 70 G 4.3393 9.2469 113.0511 49.9015 0.0000 174.5416 71 A 4.0818 7.7960 122.0235 52.8027 18.6466 178.2572 72 S 4.5049 8.6941 114.2602 59.9707 63.8913 175.0676 73 C 4.3248 8.3412 117.2811 60.3848 29.3086 172.3685 74 C 4.4693 7.9986 118.9032 56.0658 40.8778 172.9340 75 L 3.5970 8.4913 130.7520 58.6501 41.5134 178.3980 76 Y 3.9075 7.7805 115.6712 61.1244 37.6805 178.7925 77 C 4.3133 8.1968 115.9100 60.3339 40.4533 176.0727 78 R 3.8058 8.3806 119.1502 59.0401 29.7217 178.2296 79 C 4.1392 8.1350 114.7649 59.6256 28.9533 172.8428 80 H 4.0073 8.0510 116.6430 57.0569 25.5866 173.5661 81 I 4.5457 7.2726 110.2139 58.6403 40.9278 174.1841 82 D 4.1651 8.1288 120.4177 53.9887 41.6873 175.0842 83 H 4.3488 7.5172 115.6670 53.5924 32.2110 172.0629 84 P 4.4645 0.0000 0.0000 63.4771 32.9815 177.1300 85 N 4.1303 7.9542 116.1959 55.0356 37.5109 175.8433 *89 F 4.3643 8.6170 119.3343 57.4211 41.1698 175.3075 90 C 4.2588 7.7774 117.1084 58.4280 27.6615 175.0281 91 D 5.0419 8.2258 135.0000 53.7793 37.9700 177.6081 92 L 4.6330 7.5501 117.7176 55.7522 44.9909 177.5585 93 K 4.1731 8.0078 120.1839 57.5396 32.3823 177.0810 94 G 3.8784 8.9329 114.4466 44.9640 0.0000 172.2167 95 K 4.7905 7.3096 118.2081 54.6349 36.1439 174.0711 96 Y 5.1749 9.2082 117.0883 56.6808 42.1126 175.0149 97 V 4.9782 9.1181 123.2578 61.4333 34.1264 174.1486 98 Q 5.2183 9.5170 127.6055 54.6996 30.2088 175.1868 99 I 4.1392 8.9480 124.9299 58.2382 41.1484 173.3134 100 P 4.5229 0.0000 0.0000 63.5499 31.9002 177.1176 101 T 3.8879 8.8339 121.7755 67.2167 68.5441 176.0565 102 T 4.1529 7.9354 107.7314 63.2838 68.9599 174.0510 103 C 4.7232 8.5163 119.0196 59.1442 29.6487 175.2549 104 A 4.0861 7.8892 123.6316 54.3238 18.0809 178.5667 105 N 4.5399 7.9943 112.0567 54.8100 38.6570 174.9863 106 D 4.8081 8.0208 118.1734 51.0651 41.5287 173.4439 107 P 3.8706 0.0000 0.0000 65.5202 31.9659 178.3564 108 V 4.1454 7.1909 117.7479 65.6082 31.3298 178.2038 109 G 4.3612 8.3509 106.0245 46.8510 0.0000 175.3180 110 F 3.7576 8.5219 123.6397 61.4107 39.1840 177.1637 111 T 3.9719 7.5505 107.4544 65.0106 68.4402 175.8967 112 L 4.1895 7.3273 119.7437 57.7052 41.7953 179.4879 113 R 4.0538 8.1126 116.8298 57.1922 30.1786 176.2879 114 N 4.9108 7.2820 114.9084 51.6070 41.2617 173.7492 115 T 4.9173 8.2170 114.5884 61.9750 72.5184 173.5348 116 V 4.2364 8.3370 125.0975 61.8692 33.0614 174.9611 117 C 4.4229 9.4335 129.8715 59.3951 31.7378 174.6252 118 T 3.8782 8.7769 117.0001 64.1640 68.8604 175.7354 119 V 3.8349 7.8479 121.5062 65.2304 32.0949 176.3490 120 C 4.3177 8.0098 112.3011 57.5651 30.5067 175.1398 121 G 3.9344 8.3072 109.2248 45.9875 0.0000 173.2304 122 M 4.6076 7.1658 118.2272 53.2460 34.9160 175.5194 123 W 4.9005 8.5729 120.2057 56.6699 30.3820 175.8603 124 K 4.2845 9.4470 127.5960 58.0891 31.4868 175.8002 125 G 4.1540 9.6216 115.6508 45.3351 0.0000 173.0601 126 Y 4.7584 8.3151 115.2811 56.4828 38.2875 174.4099 127 G 3.7430 8.7961 112.4915 46.0057 0.0000 173.8036 128 C 3.7823 7.9836 119.9704 61.0066 31.9590 173.7673 129 S 4.1054 8.7674 120.9526 59.2461 62.5731 172.0072 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 9 A 8.12 4.38 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 10 N 8.61 4.33 0.00 2.83 2.86 0.00 0.00 7.16 6.68 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 11 S 8.81 4.18 0.00 3.88 3.93 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 12 T 7.52 3.89 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 1.18 0.00 0.00 13 V 7.55 3.28 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 0.70 0.00 0.00 14 L 7.84 3.84 0.00 1.76 1.64 0.89 0.38 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 15 S 8.46 4.23 0.00 3.97 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 16 F 7.82 4.43 0.00 2.95 3.31 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 17 C 8.33 3.85 0.00 2.82 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 18 A 8.01 3.73 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 F 7.45 4.35 0.00 3.06 3.11 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 20 A 7.09 4.16 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 V 8.11 3.88 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 0.70 0.00 0.00 0.92 0.00 0.00 22 D 7.57 4.76 0.00 2.61 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 23 P 0.00 4.08 0.00 1.87 1.80 0.00 3.69 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 2.08 2.24 0.00 24 A 7.92 3.94 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 25 K 8.33 3.83 0.00 1.99 1.95 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.63 1.48 7.81 26 A 7.93 4.00 0.96 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 0.00 0.00 27 Y 8.26 4.45 0.00 2.97 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 28 K 8.33 3.83 0.00 1.95 2.02 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.45 7.81 29 D 8.52 4.31 0.00 3.00 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 30 Y 8.60 4.20 0.00 3.24 3.33 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 31 L 7.86 3.67 0.00 1.66 1.48 0.36 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.65 3.96 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.90 4.57 0.00 3.82 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 34 G 7.92 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 0.00 0.00 0.00 35 G 7.16 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 Q 8.35 4.20 0.00 2.06 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.90 0.00 0.00 0.00 0.00 0.00 2.41 2.41 0.00 37 P 0.00 4.64 0.00 2.22 2.26 0.00 3.77 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.14 0.00 38 I 8.43 4.13 1.81 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.57 0.89 0.00 0.00 39 T 8.80 4.46 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 1.26 0.00 0.00 40 N 8.74 4.31 0.00 2.93 3.09 0.00 0.00 6.70 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 41 C 7.82 4.81 0.00 3.14 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 42 V 8.45 3.88 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 0.74 0.00 0.00 1.00 0.00 0.00 43 K 8.56 4.59 0.00 1.51 1.51 0.00 1.61 0.00 0.00 1.55 0.00 0.00 2.52 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.38 1.16 7.81 44 M 8.69 4.34 0.00 1.81 1.96 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.96 2.84 0.00 45 L 8.57 4.11 0.00 1.53 1.57 0.86 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 46 C 8.14 4.77 0.00 3.01 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 47 T 8.05 4.26 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 1.20 0.00 0.00 48 H 8.13 5.04 0.00 3.12 3.24 0.00 5.74 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 49 T 8.76 4.59 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 1.23 0.00 0.00 50 G 8.38 4.56 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 0.00 0.00 0.00 51 T 8.97 3.97 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 1.23 0.00 0.00 52 G 7.69 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 0.00 0.00 0.00 0.00 53 Q 7.24 4.02 0.00 2.09 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.93 0.00 0.00 0.00 0.00 0.00 2.40 2.46 0.00 54 A 8.36 4.03 -0.16 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 55 I 7.34 5.04 1.77 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 0.45 0.92 0.00 0.00 56 T 9.01 4.83 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 1.22 0.00 0.00 57 V 8.63 4.20 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 0.78 0.00 0.00 0.96 0.00 0.00 58 T 7.45 4.24 4.07 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 1.19 0.00 0.00 59 P 0.00 4.10 0.00 1.86 1.89 0.00 3.19 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.28 0.00 60 E 9.96 4.63 0.00 2.05 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 2.49 2.36 0.00 61 A 7.62 4.22 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 62 N 8.64 4.94 0.00 2.95 2.76 0.00 0.00 7.24 7.65 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 63 M 8.56 4.22 0.00 2.05 2.11 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.52 0.00 64 D 7.95 5.08 0.00 2.58 2.63 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 0.00 0.00 0.00 0.00 65 Q 7.89 5.06 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.72 6.87 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 66 E 8.92 4.90 0.00 2.00 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 2.24 2.47 0.00 67 S 8.51 5.32 0.00 3.74 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 68 F 9.73 5.17 0.00 3.00 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 69 G 9.41 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 0.00 0.00 0.00 0.00 70 G 9.25 4.34 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 0.00 71 A 7.80 4.08 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 72 S 8.69 4.50 0.00 4.18 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 73 C 8.34 4.32 0.00 2.94 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 74 C 8.00 4.47 0.00 3.03 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 75 L 8.49 3.60 0.00 1.48 1.22 0.34 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 76 Y 7.78 3.91 0.00 3.19 3.14 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 77 C 8.20 4.31 0.00 3.09 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 78 R 8.38 3.81 0.00 1.82 1.84 0.00 3.23 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 1.59 1.71 0.00 79 C 8.13 4.14 0.00 2.76 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 80 H 8.05 4.01 0.00 3.29 3.37 0.00 5.60 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 81 I 7.27 4.55 1.79 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 1.49 0.76 0.77 0.00 0.00 82 D 8.13 4.17 0.00 2.50 2.37 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 83 H 7.52 4.35 0.00 2.71 2.57 0.00 5.88 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 P 0.00 4.46 0.00 2.06 2.01 0.00 2.58 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 85 N 7.95 4.13 0.00 2.64 2.63 0.00 0.00 6.94 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 *89 F 8.62 4.36 0.00 2.87 2.97 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 90 C 7.78 4.26 0.00 3.06 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 91 D 8.23 5.04 0.00 2.78 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 92 L 7.55 4.63 0.00 1.68 1.69 1.00 0.89 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 93 K 8.01 4.17 0.00 1.72 1.71 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.36 7.81 94 G 8.93 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 95 K 7.31 4.79 0.00 1.81 1.91 0.00 1.61 0.00 0.00 1.84 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.41 7.81 96 Y 9.21 5.17 0.00 2.90 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 97 V 9.12 4.98 2.29 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 1.33 0.00 0.00 1.08 0.00 0.00 98 Q 9.52 5.22 0.00 2.24 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.36 0.00 0.00 0.00 0.00 0.00 2.49 2.45 0.00 99 I 8.95 4.14 1.78 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.66 -0.13 0.00 0.00 100 P 0.00 4.52 0.00 2.03 2.12 0.00 2.36 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.23 0.00 101 T 8.83 3.89 4.26 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 1.24 0.00 0.00 102 T 7.94 4.15 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 1.25 0.00 0.00 103 C 8.52 4.72 0.00 2.61 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 0.00 104 A 7.89 4.09 1.49 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 0.00 0.00 105 N 7.99 4.54 0.00 2.85 2.99 0.00 0.00 5.75 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 0.00 106 D 8.02 4.81 0.00 2.76 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 0.00 107 P 0.00 3.87 0.00 1.81 1.06 0.00 3.53 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 1.63 1.49 0.00 108 V 7.19 4.15 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 1.03 0.00 0.00 0.80 0.00 0.00 109 G 8.35 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 0.00 0.00 0.00 0.00 110 F 8.52 3.76 0.00 3.05 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 0.00 111 T 7.55 3.97 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 1.46 0.00 0.00 112 L 7.33 4.19 0.00 2.00 1.83 0.96 1.03 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 0.00 113 R 8.11 4.05 0.00 1.55 1.80 0.00 3.02 0.00 0.00 3.16 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.70 0.00 114 N 7.28 4.91 0.00 1.76 2.48 0.00 0.00 6.77 7.06 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 0.00 115 T 8.22 4.92 4.35 0.00 0.00 0.00 0.00 0.00 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 0.00 116 V 8.34 4.24 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 0.51 0.00 0.00 0.18 0.00 0.00 117 C 9.43 4.42 0.00 3.03 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 0.00 118 T 8.78 3.88 4.23 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 1.21 0.00 0.00 119 V 7.85 3.83 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 0.85 0.00 0.00 0.93 0.00 0.00 120 C 8.01 4.32 0.00 3.14 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 0.00 121 G 8.31 3.93 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 0.00 0.00 0.00 122 M 7.17 4.61 0.00 2.13 2.04 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.52 0.00 123 W 8.57 4.90 0.00 3.54 3.27 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 0.00 124 K 9.45 4.28 0.00 2.08 1.87 0.00 1.75 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.52 7.81 125 G 9.62 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 0.00 126 Y 8.32 4.76 0.00 3.16 3.11 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 0.00 127 G 8.80 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.98 3.78 0.00 3.16 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 0.00 129 S 8.77 4.11 0.00 4.07 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 * Residues marked with a * may have inaccurate shift predictions.