NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.2856 8.2876 121.4721 56.0723 30.9187 175.4128 3 T 4.0137 8.1950 116.9344 60.6596 71.1102 173.8541 4 A 4.0003 8.8922 125.4774 55.3850 18.9761 181.1762 5 A 4.1089 7.9926 118.5306 55.3407 18.4751 179.6047 6 A 4.0328 8.2313 119.3723 55.0450 18.3655 179.7375 7 K 4.0962 8.2648 119.6886 59.0426 32.2651 178.7918 8 F 4.1013 8.3277 120.9561 61.3595 39.3491 176.9899 9 E 4.0273 8.3139 117.8013 59.4142 29.0569 179.3084 10 R 3.8990 8.0282 117.8589 59.5755 30.2493 178.2319 11 Q 4.0036 7.9542 116.5139 58.0162 29.0930 176.2556 12 H 4.5887 7.8553 113.4436 53.5707 31.7012 172.9651 13 M 4.7427 8.0295 118.6328 53.5863 33.4210 176.6537 14 D 4.8286 8.7642 122.6555 53.3113 40.9566 175.8589 15 S 4.4323 8.3181 117.1725 60.6462 63.8092 176.1848 16 S 4.3113 8.0143 114.1152 60.7913 63.5017 174.5376 17 T 4.1226 7.4479 116.6496 62.5865 70.4636 174.0945 *22 S 4.2219 8.2673 113.6639 59.2491 61.9879 174.8592 23 S 4.3827 8.2902 118.6663 59.2268 63.7656 175.0744 24 N 4.6687 8.0186 119.0452 53.8895 39.4548 175.3150 25 Y 4.0376 8.2606 119.2312 62.1474 38.6628 177.6519 26 C 4.1952 8.5910 117.1461 59.9213 38.5266 175.8076 27 N 4.3856 8.1749 117.6886 56.3212 38.1926 177.0591 28 Q 3.7686 7.8932 120.7777 59.5693 29.2198 178.2257 29 M 3.7258 7.7873 119.9648 58.2675 31.8281 178.6303 30 M 4.0130 8.0599 119.2442 58.1482 31.9880 179.0818 31 K 3.9681 7.5350 118.2071 59.7517 32.1331 179.7642 32 S 4.1816 7.7899 113.8298 60.9909 62.7077 175.9461 33 R 4.3742 7.6629 118.4007 55.4847 29.9838 176.1633 34 N 4.3684 7.8569 114.8266 54.5204 36.3638 174.8218 35 L 4.4852 8.1022 116.7688 55.0487 41.8765 177.8023 36 T 5.0483 7.5690 106.5461 60.3979 69.5407 175.0898 37 K 4.1599 8.3027 123.6338 59.8551 32.4007 177.4072 38 D 4.6732 7.9024 116.1083 55.3548 41.8314 176.1879 39 R 3.3366 7.1403 113.3952 54.9077 31.7665 174.5211 40 C 4.7930 8.5450 116.3875 55.6340 39.8231 173.9325 41 K 4.1131 8.5485 127.5374 56.0665 32.3240 174.9527 42 P 4.7763 0.0000 0.0000 64.6232 32.4602 176.6478 43 V 5.0739 7.6119 116.9622 61.3074 34.9199 174.3582 44 N 4.8073 9.1515 124.6026 52.7570 42.6727 172.8888 45 T 4.8807 8.0064 121.9201 61.7603 71.3498 173.1283 46 F 4.8246 8.8581 124.1812 55.6421 42.1983 174.6080 47 V 4.3422 8.8120 123.0564 60.9712 33.4389 175.7243 48 H 5.8281 8.3843 128.2470 54.0357 26.3173 173.3142 49 E 4.8187 7.6845 117.5905 53.2845 34.4726 176.7455 50 S 4.3639 8.3492 114.9600 58.2625 65.0194 174.9713 51 L 4.0018 8.5432 124.4711 58.3359 41.9048 179.1447 52 A 4.0099 8.0170 120.1796 55.4660 18.1562 179.2294 53 D 4.3525 7.9993 116.1011 57.3776 41.1386 178.9613 54 V 3.7932 7.9735 118.8675 66.1059 31.6707 178.1480 55 Q 3.9084 8.5966 118.0277 58.8278 28.4990 178.6161 56 A 4.0696 8.1374 121.4638 54.6130 18.2346 179.6710 57 V 3.4928 7.6693 117.0411 65.9373 31.3153 176.9978 58 C 3.8568 7.8089 114.6876 58.3208 39.9775 174.7375 59 S 4.5044 7.6454 115.5659 59.0080 63.4472 174.7514 60 Q 4.3252 8.2587 124.2222 55.7007 27.5329 176.8002 61 K 4.3046 7.9966 128.7842 56.4541 33.1819 175.7684 62 N 4.0426 8.7605 127.3986 53.7434 39.6086 174.2275 63 V 4.5772 8.3218 118.4913 59.1080 36.8004 174.8598 64 A 4.2628 8.3776 124.8861 52.1847 19.1105 178.6220 65 C 4.6885 9.0698 119.9979 56.2152 40.9500 175.3885 66 K 3.8087 9.4208 121.7869 59.5261 32.1646 177.8406 67 N 4.4876 7.9851 115.1074 53.0189 37.8470 175.6494 68 G 4.0248 8.0749 107.2725 45.5024 0.0000 174.3137 69 Q 4.1892 8.7226 119.5893 56.5237 29.1838 176.7467 70 T 4.6044 8.3391 108.1068 61.4707 69.5091 173.7156 71 N 5.0890 7.9566 119.0121 53.6623 38.2276 175.0590 72 C 5.3562 7.5699 115.1827 57.1097 44.5959 172.9156 73 Y 4.9101 8.7389 117.9822 56.4130 42.1185 173.9140 74 Q 5.0819 8.8938 125.8410 54.0344 31.4381 174.7509 75 S 4.5160 8.6814 122.0664 58.5322 63.2415 174.1404 76 Y 4.4599 8.8736 122.2551 60.9344 37.9221 176.8515 77 S 4.6515 7.8984 112.5313 57.0275 63.6906 173.4566 78 T 4.2344 8.0931 115.5517 62.1593 69.7377 173.1665 79 M 5.0498 8.8996 121.6006 53.3704 36.7603 175.1747 80 S 4.7160 9.3576 118.5465 58.7931 63.9711 173.5364 81 I 5.0942 8.8112 117.9272 59.3226 41.7935 174.4218 82 T 5.0391 8.7574 118.5463 61.9771 72.0871 172.9973 83 D 4.9145 9.1612 127.4395 53.6402 42.7485 174.8238 84 C 5.6209 9.0187 120.8805 55.2162 41.0124 173.0245 85 R 5.2569 8.8899 123.2499 54.2402 33.1403 174.2829 86 E 4.2306 8.9559 125.7568 56.6787 29.3404 177.1796 87 T 4.1592 8.4066 113.5523 60.4947 70.1218 176.0629 88 G 3.9002 8.5243 110.6050 48.5238 0.0000 175.0596 89 S 4.3013 7.3229 114.0613 59.7856 63.3885 174.7799 90 S 4.0684 7.1751 114.7536 58.7676 62.4185 173.7908 91 K 4.3142 8.5476 127.1767 55.1703 34.9879 173.9416 92 Y 4.3103 8.8952 128.3189 57.7308 38.7062 173.6245 93 P 3.2271 0.0000 0.0000 62.1587 33.0408 175.4340 94 N 4.7058 7.9413 119.7601 52.1916 37.1441 173.5936 95 C 4.6138 7.8245 116.6097 56.8318 42.3336 173.3754 96 A 5.0192 8.2221 123.4855 50.8419 22.5309 174.8002 97 Y 5.1430 9.0730 117.8146 56.0983 42.3623 174.8252 98 K 4.5764 9.2624 124.4369 55.5405 34.3580 175.0834 99 T 5.1338 8.5223 123.3559 62.4795 70.3736 174.1696 100 T 4.6272 8.7659 122.2888 61.8090 72.0933 173.5312 101 Q 4.7045 8.8506 125.4813 55.9967 29.9745 175.1143 102 A 4.6598 8.7953 122.6861 51.0695 23.6265 175.1719 103 N 5.7951 8.5905 115.4891 50.5897 41.0134 174.1393 104 K 4.7585 8.2813 121.8978 54.4759 37.6423 175.4818 105 H 4.7343 9.2413 120.3495 55.9630 29.6499 175.2194 106 I 4.5902 8.6004 117.2360 60.3118 39.8222 174.7593 107 I 4.8723 8.1389 124.4578 59.6912 40.1904 175.0002 108 V 4.6873 8.5725 119.4325 59.2674 35.8188 174.5136 109 A 4.9313 8.6722 125.2125 51.3198 20.3697 175.7357 110 C 5.0973 8.5532 119.1175 55.2455 38.7913 173.3024 111 E 4.7650 8.6510 120.2040 55.7217 34.4737 174.8365 112 G 4.1946 9.8178 106.8675 45.2130 0.0000 172.8042 113 N 5.1462 7.9731 115.2862 51.0829 38.7586 171.3786 114 P 4.5914 0.0000 0.0000 61.3532 33.3083 176.0168 115 Y 4.9440 8.2565 121.4082 56.5434 39.1342 174.6762 116 V 4.4246 8.1259 119.2965 58.4473 36.7754 173.4056 117 P 4.4122 0.0000 0.0000 63.0080 31.1130 176.8806 118 V 4.4932 8.5254 115.6968 61.1416 33.7755 175.1488 119 H 5.0318 7.8898 119.8284 54.9368 33.4479 171.6029 120 F 4.5798 8.7747 127.8343 57.4422 39.5749 174.1775 121 D 4.5879 8.1784 126.4470 55.5972 42.0961 175.8158 122 A 4.6591 6.6349 117.1645 51.4336 22.4883 174.7608 123 S 5.1646 8.7928 113.0531 56.7869 66.3202 174.6266 124 V 4.1560 8.7174 114.7680 61.7442 32.6717 175.2287 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 E 8.29 4.29 0.00 2.03 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 3 T 8.19 4.01 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 1.22 0.00 0.00 4 A 8.89 4.00 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 5 A 7.99 4.11 1.32 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 0.00 0.00 0.00 0.00 0.00 0.00 6 A 8.23 4.03 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 0.00 0.00 0.00 0.00 0.00 7 K 8.26 4.10 0.00 1.87 2.04 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.31 7.81 8 F 8.33 4.10 0.00 3.25 3.23 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 0.00 9 E 8.31 4.03 0.00 2.31 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 2.50 2.68 0.00 10 R 8.03 3.90 0.00 1.79 2.10 0.00 3.36 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 11 Q 7.95 4.00 0.00 1.64 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.49 0.00 0.00 0.00 0.00 0.00 2.24 2.46 0.00 12 H 7.86 4.59 0.00 2.03 2.67 0.00 5.61 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 M 8.03 4.74 0.00 1.97 2.17 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.68 0.00 14 D 8.76 4.83 0.00 2.86 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 S 8.32 4.43 0.00 3.94 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 16 S 8.01 4.31 0.00 3.99 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 T 7.45 4.12 4.30 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 1.04 0.00 0.00 *22 S 8.27 4.22 0.00 3.86 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 23 S 8.29 4.38 0.00 4.05 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 24 N 8.02 4.67 0.00 2.84 2.84 0.00 0.00 6.81 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Y 8.26 4.04 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 26 C 8.59 4.20 0.00 3.14 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 27 N 8.17 4.39 0.00 3.06 2.91 0.00 0.00 6.77 7.74 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 28 Q 7.89 3.77 0.00 2.03 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.83 0.00 0.00 0.00 0.00 0.00 2.14 2.28 0.00 29 M 7.79 3.73 0.00 0.86 1.14 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.52 0.00 30 M 8.06 4.01 0.00 1.58 1.77 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.41 0.00 31 K 7.54 3.97 0.00 1.97 1.83 0.00 1.70 0.00 0.00 1.78 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.51 7.81 32 S 7.79 4.18 0.00 3.72 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 33 R 7.66 4.37 0.00 1.91 2.08 0.00 3.56 0.00 0.00 3.20 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 2.02 0.00 34 N 7.86 4.37 0.00 2.91 2.98 0.00 0.00 6.86 7.80 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 35 L 8.10 4.49 0.00 1.76 1.63 0.78 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.57 5.05 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 1.43 0.00 0.00 37 K 8.30 4.16 0.00 1.78 1.91 0.00 1.78 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.47 1.51 7.81 38 D 7.90 4.67 0.00 2.64 2.62 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 0.00 0.00 0.00 0.00 39 R 7.14 3.34 0.00 1.71 1.71 0.00 2.89 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.57 0.00 40 C 8.54 4.79 0.00 3.09 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 41 K 8.55 4.11 0.00 1.83 1.77 0.00 1.76 0.00 0.00 1.61 0.00 0.00 3.14 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.59 1.43 7.81 42 P 0.00 4.78 0.00 2.16 2.11 0.00 3.90 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 2.13 1.95 0.00 43 V 7.61 5.07 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 0.80 0.00 0.00 0.98 0.00 0.00 44 N 9.15 4.81 0.00 2.67 2.32 0.00 0.00 6.89 6.79 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 45 T 8.01 4.88 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 0.85 0.00 0.00 46 F 8.86 4.82 0.00 3.00 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 47 V 8.81 4.34 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 1.00 0.00 0.00 48 H 8.38 5.83 0.00 3.06 3.44 0.00 5.61 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 7.68 4.82 0.00 1.94 1.84 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 2.24 2.26 0.00 50 S 8.35 4.36 0.00 4.07 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 51 L 8.54 4.00 0.00 1.83 1.75 1.02 1.16 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 52 A 8.02 4.01 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 53 D 8.00 4.35 0.00 2.84 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 54 V 7.97 3.79 2.20 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 1.23 0.00 0.00 1.07 0.00 0.00 55 Q 8.60 3.91 0.00 2.21 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.32 2.52 0.00 56 A 8.14 4.07 1.41 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 0.00 0.00 0.00 57 V 7.67 3.49 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 1.09 0.00 0.00 0.94 0.00 0.00 58 C 7.81 3.86 0.00 2.87 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 59 S 7.65 4.50 0.00 3.94 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 Q 8.26 4.33 0.00 1.83 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.86 0.00 0.00 0.00 0.00 0.00 2.17 2.32 0.00 61 K 8.00 4.30 0.00 1.91 1.61 0.00 1.65 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.40 1.46 7.81 62 N 8.76 4.04 0.00 2.68 2.61 0.00 0.00 7.00 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 63 V 8.32 4.58 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 0.70 0.00 0.00 0.79 0.00 0.00 64 A 8.38 4.26 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 65 C 9.07 4.69 0.00 3.13 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 66 K 9.42 3.81 0.00 1.81 1.95 0.00 1.62 0.00 0.00 1.88 0.00 0.00 3.25 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.74 1.40 7.81 67 N 7.99 4.49 0.00 2.84 2.97 0.00 0.00 6.30 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 8.07 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 0.00 0.00 0.00 69 Q 8.72 4.19 0.00 2.17 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.71 0.00 0.00 0.00 0.00 0.00 2.37 2.29 0.00 70 T 8.34 4.60 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 1.24 0.00 0.00 71 N 7.96 5.09 0.00 3.01 3.17 0.00 0.00 6.09 7.68 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 72 C 7.57 5.36 0.00 3.13 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 73 Y 8.74 4.91 0.00 2.84 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 74 Q 8.89 5.08 0.00 2.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 7.00 0.00 0.00 0.00 0.00 0.00 2.21 2.24 0.00 75 S 8.68 4.52 0.00 3.93 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 76 Y 8.87 4.46 0.00 3.07 2.96 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 77 S 7.90 4.65 0.00 3.90 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 78 T 8.09 4.23 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 79 M 8.90 5.05 0.00 1.95 1.99 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.52 0.00 80 S 9.36 4.72 0.00 3.97 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 81 I 8.81 5.09 1.90 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 1.36 0.96 1.01 0.00 0.00 82 T 8.76 5.04 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 1.31 0.00 0.00 83 D 9.16 4.91 0.00 2.62 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 84 C 9.02 5.62 0.00 2.97 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 85 R 8.89 5.26 0.00 1.95 1.78 0.00 3.14 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 86 E 8.96 4.23 0.00 1.91 1.70 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 1.72 2.12 0.00 87 T 8.41 4.16 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 1.18 0.00 0.00 88 G 8.52 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 0.00 0.00 0.00 89 S 7.32 4.30 0.00 3.89 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 90 S 7.18 4.07 0.00 3.73 3.76 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 91 K 8.55 4.31 0.00 1.78 1.59 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.38 1.38 7.81 92 Y 8.90 4.31 0.00 2.92 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 93 P 0.00 3.23 0.00 1.79 1.40 0.00 3.39 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.84 0.00 94 N 7.94 4.71 0.00 2.80 2.75 0.00 0.00 6.95 7.89 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 95 C 7.82 4.61 0.00 3.11 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 A 8.22 5.02 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 Y 9.07 5.14 0.00 2.89 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 K 9.26 4.58 0.00 1.84 1.72 0.00 1.64 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.45 7.81 99 T 8.52 5.13 4.32 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 0.00 0.00 0.00 1.28 0.00 0.00 100 T 8.77 4.63 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 101 Q 8.85 4.70 0.00 1.92 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.76 0.00 0.00 0.00 0.00 0.00 2.32 2.25 0.00 102 A 8.80 4.66 1.22 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 0.00 0.00 103 N 8.59 5.80 0.00 2.55 2.74 0.00 0.00 7.04 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 0.00 104 K 8.28 4.76 0.00 1.70 1.84 0.00 1.71 0.00 0.00 1.86 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.48 7.81 105 H 9.24 4.73 0.00 3.06 3.33 0.00 5.61 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 8.60 4.59 1.88 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.57 1.13 0.00 0.00 107 I 8.14 4.87 1.77 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.71 0.83 0.00 0.00 108 V 8.57 4.69 1.93 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 0.62 0.00 0.00 0.78 0.00 0.00 109 A 8.67 4.93 1.28 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 0.00 110 C 8.55 5.10 0.00 1.80 1.43 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 0.00 111 E 8.65 4.77 0.00 1.84 1.79 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 2.27 2.24 0.00 112 G 9.82 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 N 7.97 5.15 0.00 2.62 2.68 0.00 0.00 6.90 7.69 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 0.00 114 P 0.00 4.59 0.00 2.22 2.03 0.00 3.82 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.94 0.00 115 Y 8.26 4.94 0.00 2.76 2.84 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 V 8.13 4.42 1.93 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 0.72 0.00 0.00 0.89 0.00 0.00 117 P 0.00 4.41 0.00 0.49 0.97 0.00 3.30 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.74 0.00 118 V 8.53 4.49 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 0.57 0.00 0.00 0.94 0.00 0.00 119 H 7.89 5.03 0.00 3.27 3.10 0.00 5.85 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 F 8.77 4.58 0.00 2.55 2.50 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 0.00 121 D 8.18 4.59 0.00 2.57 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 A 6.63 4.66 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 S 8.79 5.16 0.00 3.94 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 0.00 124 V 8.72 4.16 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 0.68 0.00 0.00 0.94 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.