NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 P 4.4893 0.0000 0.0000 62.1763 32.4367 177.1974 4 I 4.6806 8.8413 113.5566 58.8524 39.7701 175.0982 5 F 4.3772 9.1410 127.0891 56.8932 43.5642 174.1559 6 G 3.2659 5.3800 108.2366 45.3091 0.0000 170.3280 7 P 4.5226 0.0000 0.0000 61.6598 31.7255 175.1898 8 E 4.3065 9.0319 125.8026 58.8545 30.6347 176.1663 9 E 5.3086 8.0439 117.7711 54.4769 33.3334 174.7807 10 V 4.5208 9.3490 125.5084 61.2521 34.8163 173.7124 11 N 5.6067 8.8727 124.4498 51.9112 41.4879 173.4790 12 S 4.5989 9.2498 116.2904 57.5979 67.0137 172.2404 13 V 4.6382 8.1126 119.4887 60.5374 34.5070 174.8897 14 E 4.3383 8.3448 124.8213 58.0468 29.7786 177.6227 15 G 4.0132 9.1595 112.1356 45.3797 0.0000 173.4392 16 N 4.7782 7.8379 116.9491 53.0617 40.4246 174.0979 17 S 5.2819 8.4168 114.7631 57.1882 66.4971 173.6878 18 V 4.5880 8.5697 120.7543 61.6525 35.5251 173.6288 19 S 4.9813 8.4900 119.7553 56.6543 66.0053 173.4464 20 I 4.2704 8.5068 125.4459 59.7506 39.5546 174.5165 21 T 4.7051 8.3862 123.9336 61.8620 70.4956 174.5400 22 C 5.0347 8.1497 123.7253 55.2178 42.8278 172.5908 23 Y 5.2339 9.5127 121.4308 56.6161 40.6401 174.3562 24 Y 5.3352 8.9100 120.0885 54.6873 42.5467 172.6573 25 P 4.3370 0.0000 0.0000 62.3906 31.6941 177.2942 26 P 4.8892 0.0000 0.0000 62.2788 30.6183 176.9427 27 T 4.1816 8.7589 109.0428 61.2333 70.0638 175.0202 28 S 4.0251 8.9478 117.8231 61.9592 62.2089 177.0585 29 V 3.6684 7.7508 114.0997 64.7105 31.1551 178.0515 30 N 4.1225 7.6561 114.5878 56.5079 38.4149 177.3691 31 R 4.1666 7.6641 117.9745 58.6955 30.1969 178.0951 32 H 4.5703 7.3936 114.4924 57.2809 29.6787 176.0632 33 T 3.8782 7.2971 115.8292 63.5083 69.1314 173.8266 34 R 4.1322 8.4431 121.0243 56.2965 31.1308 175.2294 35 K 4.7613 9.7164 122.0020 54.7808 34.8513 174.8566 36 Y 5.4577 8.2815 121.0374 55.2902 42.3696 173.8314 37 W 5.8694 9.4812 130.0817 56.1445 33.8561 171.5307 38 C 5.3858 9.2171 121.3260 53.6121 45.3628 172.5559 39 R 4.2612 8.2693 120.1392 54.3517 31.5672 175.1404 40 Q 4.0483 8.3084 126.6544 56.0162 29.1819 175.0817 *46 C 4.4719 8.6603 124.1495 56.4633 46.1071 172.7831 47 I 4.2745 8.3803 128.0587 60.0348 38.1983 175.5726 48 T 4.1053 8.5410 124.6032 64.4017 68.3231 173.8871 49 L 4.3262 9.0914 126.1662 55.4709 44.1296 176.5331 50 I 5.1255 7.5721 116.3722 60.0918 41.6315 173.4949 51 S 5.4691 9.4099 123.0542 56.4000 66.5405 174.8074 52 S 4.4694 9.2010 115.7806 60.3305 62.4760 175.2274 53 E 4.0493 8.2754 118.2024 57.2932 29.8731 176.9588 54 G 3.9872 7.6623 106.4718 45.3623 0.0000 173.2399 55 Y 4.2854 8.1185 122.1075 56.9153 39.5990 174.3960 56 V 4.5726 7.0549 125.4223 60.9022 34.5910 175.0708 57 S 4.2487 9.0521 122.6143 57.3603 63.7993 175.3575 58 S 4.2695 8.5262 115.8214 60.9432 62.6644 175.6925 59 K 4.2667 8.0408 119.2707 58.2249 32.4173 176.8927 60 Y 4.6239 8.1185 114.8602 57.3861 38.8774 175.1345 61 A 4.0438 7.9664 123.8252 54.1103 18.4511 177.4792 62 G 4.0566 9.2876 112.6946 45.2381 0.0000 173.6273 63 R 4.6957 7.9449 114.2291 55.4786 30.8614 174.8748 64 A 4.9591 7.7448 119.0452 51.3454 22.4112 175.4483 65 N 4.9833 9.1155 117.1276 52.0525 43.2725 173.0462 66 L 5.0933 8.3829 124.8110 53.6897 44.7332 175.4516 67 T 4.3194 9.4965 124.6447 62.1192 70.4716 173.2919 68 N 4.9651 8.3455 124.3028 51.7460 41.1527 174.5326 69 F 5.2346 8.8154 125.3090 54.7784 38.8632 173.7325 70 P 4.4546 0.0000 0.0000 65.5205 31.9469 179.1078 71 E 3.9549 8.5198 112.0352 59.1516 29.3940 179.8548 72 N 4.3846 8.0957 115.6798 53.9117 39.4472 175.3580 73 G 3.2635 8.6300 106.2258 46.5424 0.0000 172.7113 74 T 5.3943 7.6837 108.5583 58.3707 72.5539 172.5889 75 F 5.2088 7.9972 115.8886 55.3821 41.5898 173.0679 76 V 4.6889 8.9336 121.1510 61.0762 34.4344 174.1387 77 V 4.8425 8.4090 128.0277 61.3343 33.3411 173.8085 78 N 5.2097 9.1997 126.2057 51.6144 40.8852 174.0018 79 I 4.6141 8.5817 124.1457 59.3687 40.3777 174.7540 80 A 4.8321 8.6614 128.7534 49.0505 21.7583 175.5772 81 Q 3.3658 8.4263 114.5391 56.3334 26.2543 175.2375 82 L 4.0959 7.8995 117.7753 55.5158 42.5545 177.6359 83 S 5.0909 9.2973 118.6835 55.9619 65.4126 175.2165 84 Q 3.8469 8.5712 119.0727 59.3143 28.2848 178.2470 85 D 4.5737 7.6300 115.9822 56.3098 40.8924 176.8626 86 D 4.8047 8.6206 118.9464 55.8143 41.3761 177.2861 87 S 4.5099 7.9972 116.2819 57.5917 63.5131 174.5818 88 G 3.8713 8.2601 111.8724 46.1153 0.0000 170.1936 89 R 5.0669 7.4636 117.6286 54.8622 32.6345 175.4277 90 Y 4.8371 9.2826 120.2583 56.3794 42.9972 174.0439 91 K 5.8985 8.7548 117.9340 55.1702 37.1478 173.2824 92 C 5.7019 9.0517 118.1154 54.2003 46.1325 173.1175 93 G 3.9133 7.9363 107.3545 45.7942 0.0000 171.3835 94 L 5.0759 8.1817 119.1695 52.7362 44.4902 179.0632 95 G 3.9788 9.0899 110.9829 46.9536 0.0000 175.4971 96 I 4.3563 8.0335 124.7583 58.8348 39.1226 176.1412 97 N 4.2980 7.9547 121.0275 55.9114 38.6662 176.1974 98 S 4.2612 8.0202 114.0568 61.4299 62.9300 177.2390 99 R 4.2797 8.1193 121.0565 55.7908 29.4685 181.8320 100 G 3.8752 8.3170 109.6583 47.5641 0.0000 178.0822 101 L 3.8677 7.9154 117.9214 53.4419 37.9740 175.3941 102 S 5.2963 7.8512 113.8757 56.7967 67.3777 174.0925 103 F 4.8927 9.0796 121.6852 56.5462 42.7896 172.9961 104 D 5.2084 7.9482 125.2491 53.3302 42.0079 175.8020 105 V 4.6911 8.9702 124.1393 61.1497 34.7373 173.9210 106 S 5.1779 9.0269 123.0107 56.8401 64.2134 172.1247 107 L 5.2547 9.4153 130.2561 53.4567 44.3815 174.6835 108 E 4.9126 9.6044 126.0075 54.7236 32.5422 175.4296 109 V 4.6245 8.5143 126.5577 61.1513 32.0225 175.6836 110 L 4.3178 9.5592 129.9759 54.3381 42.8364 176.9324 111 E 4.4368 8.7656 121.3323 57.0603 30.1383 176.1120 112 H 4.6657 9.8787 124.0170 55.4464 31.0711 174.2506 113 H 4.9280 8.4411 122.4447 53.6675 31.2937 174.0572 114 H 4.4073 8.3851 116.4603 56.1418 28.8345 175.4284 115 H 4.5817 8.6862 117.0786 57.5530 29.2239 175.1879 116 H 4.2082 8.6563 123.4038 56.6109 29.5109 174.1339 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 3 P 0.00 4.49 0.00 2.32 2.07 0.00 3.84 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 4 I 8.84 4.68 2.10 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 1.45 0.87 1.06 0.00 0.00 5 F 9.14 4.38 0.00 2.99 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 6 G 5.38 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 0.00 0.00 0.00 7 P 0.00 4.52 0.00 2.20 2.03 0.00 3.63 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.87 0.00 8 E 9.03 4.31 0.00 2.21 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 2.39 2.25 0.00 9 E 8.04 5.31 0.00 2.00 1.77 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 2.22 2.50 0.00 10 V 9.35 4.52 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 0.73 0.00 0.00 0.96 0.00 0.00 11 N 8.87 5.61 0.00 2.62 2.69 0.00 0.00 6.81 7.57 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 12 S 9.25 4.60 0.00 3.80 3.68 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 0.00 0.00 0.00 13 V 8.11 4.64 2.23 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 0.98 0.00 0.00 0.92 0.00 0.00 14 E 8.34 4.34 0.00 2.09 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 2.38 2.53 0.00 15 G 9.16 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 0.00 0.00 0.00 16 N 7.84 4.78 0.00 2.96 2.75 0.00 0.00 6.63 7.46 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 17 S 8.42 5.28 0.00 3.70 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 18 V 8.57 4.59 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 0.96 0.00 0.00 0.89 0.00 0.00 19 S 8.49 4.98 0.00 3.67 3.62 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 20 I 8.51 4.27 1.19 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.53 0.61 0.00 0.00 21 T 8.39 4.71 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 0.94 0.00 0.00 22 C 8.15 5.03 0.00 1.62 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 23 Y 9.51 5.23 0.00 2.94 2.85 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 24 Y 8.91 5.34 0.00 3.05 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 25 P 0.00 4.34 0.00 2.34 2.13 0.00 3.85 0.00 0.00 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.22 0.00 26 P 0.00 4.89 0.00 2.06 2.08 0.00 3.71 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 27 T 8.76 4.18 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 1.32 0.00 0.00 28 S 8.95 4.03 0.00 3.92 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 29 V 7.75 3.67 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 0.79 0.00 0.00 0.94 0.00 0.00 30 N 7.66 4.12 0.00 2.94 2.45 0.00 0.00 7.15 8.23 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 31 R 7.66 4.17 0.00 1.88 2.05 0.00 3.49 0.00 0.00 3.27 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.00 0.00 32 H 7.39 4.57 0.00 3.24 3.30 0.00 5.70 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 T 7.30 3.88 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 1.15 0.00 0.00 34 R 8.44 4.13 0.00 1.88 2.05 0.00 3.25 0.00 0.00 3.33 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.76 0.00 35 K 9.72 4.76 0.00 0.96 0.74 0.00 0.89 0.00 0.00 1.22 0.00 0.00 2.86 0.00 0.00 2.57 0.00 0.00 0.00 0.00 1.05 1.27 7.81 36 Y 8.28 5.46 0.00 3.08 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 37 W 9.48 5.87 0.00 3.57 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 38 C 9.22 5.39 0.00 3.03 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 39 R 8.27 4.26 0.00 1.67 1.59 0.00 2.98 0.00 0.00 3.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.50 0.00 40 Q 8.31 4.05 0.00 1.79 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.20 0.00 0.00 0.00 0.00 0.00 2.29 2.14 0.00 *46 C 8.66 4.47 0.00 2.94 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 47 I 8.38 4.27 1.78 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.29 0.87 0.00 0.00 48 T 8.54 4.11 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 1.38 0.00 0.00 49 L 9.09 4.33 0.00 1.68 0.84 0.79 0.12 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 50 I 7.57 5.13 2.18 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.42 1.29 0.00 0.00 51 S 9.41 5.47 0.00 4.21 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 52 S 9.20 4.47 0.00 3.79 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 53 E 8.28 4.05 0.00 2.13 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 0.00 2.45 2.32 0.00 54 G 7.66 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 0.00 0.00 0.00 55 Y 8.12 4.29 0.00 3.08 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 56 V 7.05 4.57 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 0.97 0.00 0.00 0.93 0.00 0.00 57 S 9.05 4.25 0.00 4.02 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 58 S 8.53 4.27 0.00 4.01 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 59 K 8.04 4.27 0.00 1.82 2.07 0.00 1.80 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.46 1.44 7.81 60 Y 8.12 4.62 0.00 2.97 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 61 A 7.97 4.04 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 62 G 9.29 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 0.00 0.00 0.00 63 R 7.94 4.70 0.00 1.96 2.05 0.00 2.77 0.00 0.00 3.45 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.40 0.00 64 A 7.74 4.96 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 N 9.12 4.98 0.00 2.70 2.53 0.00 0.00 6.87 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 66 L 8.38 5.09 0.00 1.70 1.52 0.99 0.97 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 67 T 9.50 4.32 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 0.35 0.00 0.00 68 N 8.35 4.97 0.00 2.61 2.64 0.00 0.00 6.90 7.02 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 69 F 8.82 5.23 0.00 3.15 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 70 P 0.00 4.45 0.00 2.26 2.23 0.00 4.06 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.19 0.00 71 E 8.52 3.95 0.00 1.98 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 0.00 2.24 1.91 0.00 72 N 8.10 4.38 0.00 2.56 2.76 0.00 0.00 6.99 7.98 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 73 G 8.63 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 0.00 0.00 0.00 74 T 7.68 5.39 3.59 0.00 0.00 0.00 0.00 0.00 0.00 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 75 F 8.00 5.21 0.00 3.16 3.21 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 0.00 76 V 8.93 4.69 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 0.89 0.00 0.00 0.85 0.00 0.00 77 V 8.41 4.84 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 0.45 0.00 0.00 0.75 0.00 0.00 78 N 9.20 5.21 0.00 2.51 2.59 0.00 0.00 6.33 7.17 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 79 I 8.58 4.61 1.68 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.41 0.58 0.00 0.00 80 A 8.66 4.83 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 81 Q 8.43 3.37 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.81 0.00 0.00 0.00 0.00 0.00 2.24 2.29 0.00 82 L 7.90 4.10 0.00 1.73 1.65 0.96 0.55 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 83 S 9.30 5.09 0.00 3.97 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 84 Q 8.57 3.85 0.00 2.28 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.97 0.00 0.00 0.00 0.00 0.00 2.44 2.42 0.00 85 D 7.63 4.57 0.00 2.81 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 86 D 8.62 4.80 0.00 2.91 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 87 S 8.00 4.51 0.00 3.88 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 88 G 8.26 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 0.00 0.00 0.00 89 R 7.46 5.07 0.00 1.60 1.73 0.00 3.01 0.00 0.00 3.28 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 90 Y 9.28 4.84 0.00 2.21 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 91 K 8.75 5.90 0.00 1.78 1.78 0.00 1.66 0.00 0.00 1.87 0.00 0.00 3.07 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.55 1.19 7.81 92 C 9.05 5.70 0.00 3.29 3.70 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 93 G 7.94 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 0.00 0.00 0.00 94 L 8.18 5.08 0.00 1.50 1.42 0.76 0.27 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 95 G 9.09 3.98 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 0.00 96 I 8.03 4.36 1.83 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.90 0.88 0.00 0.00 97 N 7.95 4.30 0.00 2.42 2.62 0.00 0.00 7.22 7.57 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 98 S 8.02 4.26 0.00 3.77 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 99 R 8.12 4.28 0.00 1.84 1.80 0.00 3.47 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.46 0.00 100 G 8.32 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 0.00 101 L 7.92 3.87 0.00 1.89 1.88 0.95 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 102 S 7.85 5.30 0.00 3.97 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 0.00 103 F 9.08 4.89 0.00 3.20 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 0.00 104 D 7.95 5.21 0.00 2.35 2.49 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 0.00 105 V 8.97 4.69 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 1.32 0.00 0.00 1.45 0.00 0.00 106 S 9.03 5.18 0.00 4.00 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 0.00 107 L 9.42 5.25 0.00 1.91 1.79 1.04 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 108 E 9.60 4.91 0.00 2.12 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 2.27 2.40 0.00 109 V 8.51 4.62 2.13 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 0.78 0.00 0.00 0.99 0.00 0.00 110 L 9.56 4.32 0.00 1.53 1.60 0.94 0.82 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 0.00 111 E 8.77 4.44 0.00 1.86 1.83 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 2.32 2.33 0.00 112 H 9.88 4.67 0.00 3.18 3.16 0.00 5.71 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 0.00 113 H 8.44 4.93 0.00 3.14 3.12 0.00 5.76 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 0.00 114 H 8.39 4.41 0.00 3.26 3.33 0.00 5.52 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 0.00 115 H 8.69 4.58 0.00 3.22 3.40 0.00 5.75 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 0.00 116 H 8.66 4.21 0.00 3.09 3.37 0.00 5.95 0.00 0.00 0.00 0.00 6.91 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.