NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 D 4.6319 8.2233 120.1996 54.0858 43.6315 177.1674 6 L 3.8728 7.9727 118.4753 57.2372 41.6577 174.6462 7 V 3.7211 8.6682 119.0502 66.2270 31.8118 177.5323 8 T 3.8674 7.9846 113.8796 66.6258 68.6547 175.7818 9 K 4.0475 8.4072 121.5939 59.5469 32.2569 178.3306 10 F 4.1762 8.4349 120.9498 61.5594 39.1324 176.6744 11 E 3.9016 8.5540 116.1933 57.9961 29.4245 178.6197 12 S 4.2166 7.7620 113.6929 59.0862 63.9529 174.1201 13 L 4.3728 7.0237 123.6596 53.1427 42.6379 177.8278 14 I 3.6293 8.1710 116.2286 63.5173 37.5976 177.8381 15 I 3.5113 7.4499 120.3127 63.1386 37.9126 176.5346 16 S 3.8570 7.6640 116.0163 60.0053 63.0597 174.7089 17 K 4.2197 7.5307 126.3236 54.4031 31.8077 181.9696 *18 Y 4.3746 8.2573 118.3191 54.1767 40.4181 168.2958 19 P 4.2380 0.0000 0.0000 63.1967 31.6226 177.2351 *21 S 4.2737 8.2056 115.8018 57.8844 62.7343 172.3563 22 F 4.9765 8.0482 124.0776 57.2536 39.7279 176.3719 23 T 4.2821 8.9161 121.7958 62.8685 70.3564 176.0470 24 K 4.0553 8.6919 124.0073 61.0369 32.4576 179.6736 25 E 4.0752 8.1078 118.9122 60.7115 29.7152 181.7153 26 Q 3.9900 7.9201 117.6619 59.0255 28.7320 178.6011 27 S 4.3114 8.3966 116.2061 61.6011 62.8175 176.6863 28 A 4.0473 8.1775 125.8583 55.8224 18.1508 180.3266 29 Q 3.9544 8.1500 118.9529 60.2583 28.2197 180.4496 30 A 4.3193 8.2272 122.9917 54.9772 18.5013 179.4041 31 A 4.0589 8.5233 122.1518 56.1172 18.3939 180.4442 32 Q 3.7720 8.3429 119.2921 60.3017 28.1905 180.7742 33 W 4.3594 8.1977 123.7344 59.9160 28.9976 179.1851 34 E 4.1570 8.5429 120.8529 62.0407 29.2415 182.7257 35 S 4.4316 8.0186 120.1067 62.9826 62.3020 178.4767 36 V 3.6995 7.8795 121.6390 65.9375 31.2755 178.2379 37 L 4.1847 8.2451 121.2712 58.2569 41.3000 180.1928 38 K 4.1332 8.3449 123.2257 59.4172 31.7593 181.0354 39 S 4.6410 8.1784 112.7779 58.7151 62.9729 174.7915 40 G 3.9489 7.7163 109.2982 47.1916 0.0000 174.5655 41 Q 4.6895 7.9062 116.3183 55.3749 30.1181 177.1728 42 I 3.9959 7.9291 123.9258 64.6547 37.1129 177.5950 43 Q 3.9533 8.0673 119.6443 58.9024 28.8717 176.4884 44 P 4.4316 0.0000 0.0000 64.8211 31.5558 177.1075 45 H 4.7732 8.0302 114.1829 55.3495 28.9551 176.2079 46 L 4.0156 7.8810 124.7273 58.5739 41.9014 178.7097 47 D 4.4900 8.2393 118.1721 57.5413 40.7583 178.4535 48 Q 4.0723 8.1796 119.6127 58.9591 29.0634 177.8767 49 L 3.9099 8.4091 121.8357 58.1214 41.9125 178.4244 50 N 4.3046 8.2017 116.0114 56.6356 38.9666 176.2889 51 L 4.1098 7.9773 121.8744 57.7890 42.1144 178.9019 52 V 3.6193 8.1669 118.7208 66.1364 31.3504 177.8020 53 L 4.5440 7.6403 117.0626 55.7341 41.4718 178.8983 54 R 3.7148 7.3536 119.1129 58.6493 30.1725 176.5502 55 D 4.8131 7.5678 114.2970 53.9100 42.1572 175.8583 56 N 4.9314 7.5367 116.9485 51.4640 42.4023 175.2310 57 T 3.4830 8.6620 120.0320 65.9268 68.9690 174.2618 58 F 5.1675 7.3310 117.7383 55.0921 42.3944 176.2307 59 I 3.3983 8.9608 123.5767 64.1012 36.7867 177.7578 60 V 4.1344 7.6767 117.4400 62.4183 31.7101 175.2061 61 S 3.6550 7.5728 110.9809 59.1990 60.7060 172.2457 62 T 4.5478 7.6409 108.0426 60.1021 70.8336 174.7113 63 L 4.1051 8.1039 120.5441 56.4910 41.9454 176.7500 64 Y 4.8192 7.2274 114.5242 55.1336 41.9989 172.9301 65 P 3.7224 0.0000 0.0000 62.7974 32.0135 175.8649 66 T 4.7762 8.6207 114.4877 59.8076 71.5325 175.1275 67 S 3.8248 8.5748 116.8617 61.4434 62.7782 176.5368 68 T 3.9538 7.9280 119.1781 66.6778 68.2620 175.9606 69 D 4.6656 8.0091 120.2937 57.4728 40.9887 178.9652 70 V 3.5156 7.2150 118.5096 66.1877 31.1854 177.7622 71 H 4.3134 8.4332 116.4443 59.1138 28.6077 178.0354 72 V 3.9379 8.1507 119.9714 65.7676 31.2484 177.8365 73 F 4.3796 8.6928 120.7195 61.2549 38.9253 176.7633 74 E 3.7568 8.0185 117.3299 59.2691 29.4405 178.9324 75 V 3.8817 7.3233 117.5200 65.1085 31.8858 177.9402 76 A 3.9977 8.5671 120.9957 54.8557 18.2222 178.9526 77 L 3.6998 7.7221 119.3331 57.7971 41.9522 177.2827 78 P 4.2368 0.0000 0.0000 66.5709 31.0555 178.8294 79 L 3.9489 7.5847 122.0529 59.2260 40.7870 181.1183 80 I 3.7911 7.9670 121.5110 64.1192 36.9514 178.7261 81 K 3.9947 8.1577 119.1915 59.5203 31.8707 178.9932 82 D 4.3700 8.4242 119.5123 57.5559 40.5502 179.0236 83 L 4.0247 8.0506 118.5120 57.7039 41.9702 179.5066 84 V 3.7279 8.2765 118.4528 65.9712 31.3065 178.0213 85 A 4.0868 8.2588 120.0532 54.4438 18.2669 178.7041 86 S 4.5264 7.6640 110.0247 57.3052 63.8898 174.4880 87 S 4.1779 7.2022 117.5169 58.7166 62.5127 174.5782 88 K 4.0653 8.5935 126.2698 58.7122 32.5554 177.3175 89 D 4.2599 8.0522 116.4645 52.3549 44.2426 175.9329 90 V 3.3395 8.1448 127.6408 65.6720 31.6920 177.2847 91 K 3.7462 7.9365 118.9709 60.0410 31.8284 178.5422 92 S 4.1058 8.4473 115.0820 61.7364 62.7696 176.9411 93 T 3.8538 7.6152 118.1003 66.9026 68.0508 176.1768 94 Y 4.5547 7.7685 117.5483 61.9367 38.0231 178.9760 95 T 4.0911 8.0223 115.2541 66.8317 68.5974 176.8120 96 T 3.8945 7.6881 116.9654 65.2927 68.9382 174.3197 97 Y 4.9507 7.7893 118.8696 56.8908 39.4049 177.8434 98 R 3.9622 8.2266 121.4322 60.0762 30.3960 176.7036 99 H 4.3832 7.7709 115.3178 58.6266 28.9031 177.4019 100 I 3.8689 7.9347 121.2499 64.7440 36.8775 178.2666 101 L 4.2380 8.1635 119.6030 57.5261 41.4490 179.3701 102 R 3.9158 8.0105 118.5631 59.3912 29.9684 178.4354 103 W 4.3130 8.3160 127.4788 60.0863 30.5771 178.2190 104 I 3.5967 8.5917 120.5229 64.3791 36.1361 177.4681 105 D 4.3344 8.3573 119.1432 57.7620 40.8385 177.7056 106 Y 3.8292 7.9342 119.4866 61.2507 38.8728 178.2232 107 M 3.7614 8.0446 119.8260 57.9756 31.8329 178.7707 108 Q 3.9092 8.0200 118.2304 58.8558 28.9267 178.2517 109 N 4.2380 7.6286 117.8772 55.7802 38.3921 176.8880 110 L 3.7029 7.5025 121.3981 58.0574 42.0823 177.7079 111 L 4.3399 7.7101 114.7148 53.7855 41.9213 176.3181 112 E 3.7328 7.7672 117.5239 57.1027 27.5224 175.5073 113 V 3.7312 7.7459 119.0750 63.1749 32.9302 176.3119 114 S 4.2243 8.5427 121.6597 58.5088 63.1331 174.9911 115 S 4.8478 8.3793 118.1140 57.0895 60.7755 172.5815 116 T 4.4665 7.3598 122.7239 64.9010 76.4400 175.1325 117 D 4.6678 8.0414 117.6304 54.4013 41.5702 177.2532 118 K 4.3156 7.6735 118.9504 55.9878 32.6294 176.1984 119 L 4.2348 8.6836 126.8649 54.9670 42.5251 177.5735 120 E 4.4466 8.6058 125.1117 56.5801 31.8464 173.6458 121 I 3.9165 7.9537 112.7177 62.4463 36.2710 169.9780 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 D 8.22 4.63 0.00 2.80 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 6 L 7.97 3.87 0.00 1.89 1.83 1.10 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 7 V 8.67 3.72 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 1.15 0.00 0.00 1.07 0.00 0.00 8 T 7.98 3.87 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 1.22 0.00 0.00 9 K 8.41 4.05 0.00 1.87 1.99 0.00 1.54 0.00 0.00 1.58 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.50 7.81 10 F 8.43 4.18 0.00 3.21 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 11 E 8.55 3.90 0.00 1.91 1.92 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 2.38 2.64 0.00 12 S 7.76 4.22 0.00 4.00 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 13 L 7.02 4.37 0.00 1.56 1.48 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 14 I 8.17 3.63 1.77 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 1.22 0.60 0.83 0.00 0.00 15 I 7.45 3.51 1.79 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.57 0.87 0.00 0.00 16 S 7.66 3.86 0.00 3.24 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 17 K 7.53 4.22 0.00 1.80 1.66 0.00 1.85 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.33 1.24 7.81 *18 Y 8.26 4.37 0.00 2.26 2.04 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 19 P 0.00 4.24 0.00 2.32 2.22 0.00 3.78 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.10 0.00 *21 S 8.21 4.27 0.00 3.68 3.78 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 22 F 8.05 4.98 0.00 2.98 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 23 T 8.92 4.28 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 1.23 0.00 0.00 24 K 8.69 4.06 0.00 2.00 2.10 0.00 1.51 0.00 0.00 1.87 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.52 7.81 25 E 8.11 4.08 0.00 2.00 1.99 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 2.31 1.96 0.00 26 Q 7.92 3.99 0.00 2.13 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.87 0.00 0.00 0.00 0.00 0.00 2.39 2.34 0.00 27 S 8.40 4.31 0.00 4.10 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 28 A 8.18 4.05 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 29 Q 8.15 3.95 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.29 2.25 0.00 30 A 8.23 4.32 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 0.00 0.00 31 A 8.52 4.06 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 32 Q 8.34 3.77 0.00 2.04 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.74 0.00 0.00 0.00 0.00 0.00 2.30 2.28 0.00 33 W 8.20 4.36 0.00 3.46 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 34 E 8.54 4.16 0.00 1.99 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 2.24 2.20 0.00 35 S 8.02 4.43 0.00 3.75 3.90 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 36 V 7.88 3.70 2.16 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 0.96 0.00 0.00 0.41 0.00 0.00 37 L 8.25 4.18 0.00 1.98 1.75 1.06 0.64 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 38 K 8.34 4.13 0.00 1.81 1.73 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.35 7.81 39 S 8.18 4.64 0.00 3.98 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 40 G 7.72 3.95 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 0.00 0.00 0.00 41 Q 7.91 4.69 0.00 2.05 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.69 6.86 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 42 I 7.93 4.00 1.94 0.00 0.00 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 1.63 0.91 0.98 0.00 0.00 43 Q 8.07 3.95 0.00 2.14 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.90 0.00 0.00 0.00 0.00 0.00 2.45 2.47 0.00 44 P 0.00 4.43 0.00 2.02 2.09 0.00 3.90 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 2.06 2.20 0.00 45 H 8.03 4.77 0.00 3.47 3.48 0.00 5.63 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 46 L 7.88 4.02 0.00 2.11 1.80 0.89 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 47 D 8.24 4.49 0.00 2.79 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 48 Q 8.18 4.07 0.00 2.18 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.91 0.00 0.00 0.00 0.00 0.00 2.65 2.48 0.00 49 L 8.41 3.91 0.00 1.82 1.81 -0.19 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 50 N 8.20 4.30 0.00 3.03 3.10 0.00 0.00 7.23 7.30 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 51 L 7.98 4.11 0.00 1.85 1.82 0.91 0.94 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 52 V 8.17 3.62 2.17 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 0.90 0.00 0.00 1.19 0.00 0.00 53 L 7.64 4.54 0.00 1.53 1.59 0.03 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 54 R 7.35 3.71 0.00 1.71 1.97 0.00 3.16 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.26 0.00 55 D 7.57 4.81 0.00 2.60 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 56 N 7.54 4.93 0.00 2.70 2.71 0.00 0.00 7.11 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 57 T 8.66 3.48 3.79 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 0.12 0.00 0.00 58 F 7.33 5.17 0.00 3.09 3.20 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 59 I 8.96 3.40 1.66 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.30 0.32 0.17 0.00 0.00 60 V 7.68 4.13 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 0.26 0.00 0.00 0.91 0.00 0.00 61 S 7.57 3.66 0.00 4.00 3.85 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 0.00 0.00 0.00 0.00 62 T 7.64 4.55 4.42 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 1.38 0.00 0.00 63 L 8.10 4.11 0.00 0.66 0.95 0.79 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 64 Y 7.23 4.82 0.00 2.87 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 65 P 0.00 3.72 0.00 1.88 1.44 0.00 3.69 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.96 0.00 66 T 8.62 4.78 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 1.39 0.00 0.00 67 S 8.57 3.82 0.00 4.00 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 0.00 68 T 7.93 3.95 4.29 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 1.27 0.00 0.00 69 D 8.01 4.67 0.00 2.74 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 70 V 7.22 3.52 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 1.01 0.00 0.00 -0.06 0.00 0.00 71 H 8.43 4.31 0.00 3.25 3.37 0.00 5.67 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 V 8.15 3.94 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 0.61 0.00 0.00 0.92 0.00 0.00 73 F 8.69 4.38 0.00 2.84 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 74 E 8.02 3.76 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 2.43 2.64 0.00 75 V 7.32 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 1.04 0.00 0.00 0.95 0.00 0.00 76 A 8.57 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 77 L 7.72 3.70 0.00 0.61 1.08 0.88 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 78 P 0.00 4.24 0.00 2.24 2.24 0.00 3.54 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.00 0.00 79 L 7.58 3.95 0.00 1.63 1.72 0.92 0.94 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 80 I 7.97 3.79 2.05 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 1.57 0.77 0.95 0.00 0.00 81 K 8.16 3.99 0.00 1.97 1.86 0.00 1.81 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.62 7.81 82 D 8.42 4.37 0.00 2.80 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 83 L 8.05 4.02 0.00 1.73 1.80 0.66 0.95 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 84 V 8.28 3.73 2.27 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 1.06 0.00 0.00 1.12 0.00 0.00 85 A 8.26 4.09 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 86 S 7.66 4.53 0.00 4.06 3.97 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 87 S 7.20 4.18 0.00 3.98 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 88 K 8.59 4.07 0.00 1.77 1.84 0.00 1.85 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.36 7.81 89 D 8.05 4.26 0.00 2.70 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 90 V 8.14 3.34 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 0.41 0.00 0.00 0.82 0.00 0.00 91 K 7.94 3.75 0.00 1.88 1.93 0.00 1.75 0.00 0.00 1.90 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.63 7.81 92 S 8.45 4.11 0.00 4.03 3.85 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 0.00 0.00 0.00 0.00 93 T 7.62 3.85 4.29 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 1.46 0.00 0.00 94 Y 7.77 4.55 0.00 3.09 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 95 T 8.02 4.09 4.38 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 1.20 0.00 0.00 96 T 7.69 3.89 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 0.35 0.00 0.00 97 Y 7.79 4.95 0.00 3.19 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 98 R 8.23 3.96 0.00 1.75 1.61 0.00 3.15 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 99 H 7.77 4.38 0.00 3.36 3.40 0.00 5.69 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 0.00 100 I 7.93 3.87 2.17 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.59 1.10 0.00 0.00 101 L 8.16 4.24 0.00 1.90 1.71 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 102 R 8.01 3.92 0.00 1.97 2.19 0.00 3.08 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 1.70 1.69 0.00 103 W 8.32 4.31 0.00 3.38 3.40 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 0.00 104 I 8.59 3.60 2.15 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 1.66 1.03 1.04 0.00 0.00 105 D 8.36 4.33 0.00 2.93 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 0.00 106 Y 7.93 3.83 0.00 3.19 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 0.00 107 M 8.04 3.76 0.00 0.51 0.70 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.73 0.00 108 Q 8.02 3.91 0.00 2.32 2.51 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 2.61 2.36 0.00 109 N 7.63 4.24 0.00 2.64 2.74 0.00 0.00 6.51 6.62 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 0.00 110 L 7.50 3.70 0.00 1.31 1.69 0.92 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 111 L 7.71 4.34 0.00 1.66 1.67 0.78 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 112 E 7.77 3.73 0.00 2.07 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 2.22 2.18 0.00 113 V 7.75 3.73 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 0.79 0.00 0.00 1.08 0.00 0.00 114 S 8.54 4.22 0.00 3.69 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 0.00 115 S 8.38 4.85 0.00 3.82 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 0.00 116 T 7.36 4.47 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 1.21 0.00 0.00 117 D 8.04 4.67 0.00 2.67 2.69 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 0.00 0.00 0.00 118 K 7.67 4.32 0.00 1.80 1.76 0.00 1.69 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.64 1.62 7.81 119 L 8.68 4.23 0.00 1.65 1.62 0.99 0.75 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 0.00 120 E 8.61 4.45 0.00 2.03 1.76 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 2.20 1.87 0.00 121 I 7.95 3.92 1.87 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 1.27 0.85 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.