NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *-3 Y 4.5728 8.1444 119.1640 56.0520 38.6187 174.4180 -2 F 4.1544 8.8407 125.7754 57.9121 39.7801 173.6199 -1 Q 3.8516 7.4855 126.4834 55.4039 30.8846 174.7153 0 G 3.2966 5.3800 105.7236 44.6717 0.0000 173.2639 -1 V 3.6316 7.1955 125.8834 61.9039 34.3846 175.0153 0 K 3.6566 5.6600 117.3236 55.7717 29.3863 174.9639 4 H 5.3852 8.8074 125.1807 53.9320 31.9016 172.8212 5 I 4.7738 8.5724 127.3826 59.4440 40.0103 175.0103 6 V 4.7793 8.8323 126.6636 60.9403 34.6925 174.0154 7 L 5.3777 8.7562 127.3291 53.0183 44.7777 175.3945 8 F 5.5928 9.7191 121.3909 55.6206 42.9106 173.8982 9 K 4.7038 8.5932 123.5663 54.5529 34.3576 175.4442 10 L 4.7794 9.0526 127.4443 53.3786 43.3834 176.8177 11 R 4.1908 8.6040 120.0900 56.0389 30.5845 178.1648 12 D 4.2727 8.7654 122.6749 57.4548 41.0436 177.0391 13 D 4.6944 7.8790 116.0626 53.2366 39.5097 175.9097 14 V 3.8977 7.2026 120.1518 61.8396 32.3045 174.8827 15 P 4.3849 0.0000 0.0000 62.2245 33.1186 177.3177 16 V 3.5723 8.4521 120.7503 66.7500 31.3274 178.4975 17 E 3.9481 8.1331 117.3193 59.2199 29.2238 178.9235 18 E 3.9131 8.0579 119.0185 59.0885 29.6258 178.5980 19 K 3.8664 8.0152 117.6472 59.6256 32.2218 178.8610 20 L 4.1390 7.9404 118.0275 57.7376 41.7483 179.5144 21 V 3.7882 7.9376 118.1498 65.9182 31.3938 178.5651 22 V 3.8213 7.7423 113.7960 64.2557 30.9930 176.8877 *24 N 4.6711 8.0325 116.2931 53.1892 40.5574 176.7301 25 S 4.1300 8.3827 112.3948 61.1828 62.3011 175.9765 26 F 4.1331 8.5786 123.7249 61.1087 39.1708 176.8882 27 K 3.7913 8.2083 118.8137 59.4922 32.0398 178.0630 28 E 3.8669 8.2626 119.1335 59.1926 29.3745 178.5342 29 A 3.9389 7.8308 119.4457 55.2983 18.7845 179.3682 30 I 3.7102 7.5859 118.4117 64.5957 36.9684 178.5086 31 E 4.0837 8.0717 117.1546 58.3700 29.2944 178.3823 32 A 4.2510 7.8361 119.8504 53.5629 18.6764 179.2695 33 L 3.9882 7.9112 118.0817 57.1783 41.4182 177.5299 34 P 4.2759 0.0000 0.0000 65.3747 31.2989 177.9128 35 A 4.1861 7.6934 117.9373 53.7662 18.3470 177.9765 36 K 4.3878 8.2448 115.1655 55.9923 34.4879 176.1191 37 I 4.5311 7.4808 118.9715 59.1550 38.4571 176.0977 38 S 4.2534 8.8199 120.9421 60.5652 63.2128 175.7502 39 V 3.9225 7.7971 112.4686 61.9695 31.8501 176.0126 40 I 3.3395 7.3983 122.4987 61.1281 37.1386 176.0153 41 R 4.1370 7.8601 125.5133 58.4549 30.8335 177.1685 42 K 4.5208 7.2071 117.7583 55.2671 35.6858 174.5089 43 I 5.0519 8.0401 125.1938 59.9423 41.2695 173.3483 44 E 4.9444 9.1475 124.4139 55.2763 33.2703 173.7526 45 V 4.9916 9.0275 121.9606 61.1917 33.9114 174.8320 46 G 4.2755 9.2769 115.3107 44.4657 0.0000 171.8381 47 L 5.1909 8.4595 124.6491 52.9701 43.2107 176.0823 48 N 4.3409 8.7891 122.9655 53.7616 40.2890 173.6190 *50 N 4.4544 8.5369 118.2633 52.4992 39.1048 172.9538 51 P 4.3606 0.0000 0.0000 64.8866 31.5780 177.4005 52 G 3.8051 8.5546 107.3098 46.4313 0.0000 173.3348 53 E 4.7909 8.0196 119.6104 54.9357 31.6569 175.8800 54 T 4.4990 8.4803 109.2835 61.5175 70.4555 174.7908 55 W 4.4419 8.2891 121.6598 56.5065 30.4829 175.0521 56 N 4.9775 9.3684 116.9632 54.4623 40.7565 175.1619 57 I 5.1950 7.9481 117.9421 59.3757 41.3628 174.2034 58 A 5.3295 9.4275 128.4416 50.0497 21.9641 174.8333 59 L 5.1978 9.6788 124.8414 53.5170 44.8534 174.3360 60 Y 5.0945 8.9286 128.1632 55.8174 41.4017 174.4800 61 S 4.7625 7.7512 119.6465 57.1384 67.2974 172.7147 62 E 5.4805 8.4911 119.7376 54.8179 33.1408 175.0171 63 F 4.9943 8.6334 120.3883 55.7190 42.9819 174.7185 64 D 4.3948 9.0221 120.3482 57.4192 40.9891 176.6377 65 N 4.6561 7.4961 114.5845 50.9631 40.9358 174.9761 66 L 3.9670 8.2638 121.5383 57.9785 42.0243 178.2626 67 D 4.3894 8.1653 118.7532 57.5348 40.6870 178.3666 68 D 4.3893 8.6729 119.5303 57.2131 40.7659 178.7619 69 V 2.3466 7.2282 118.4049 65.7305 31.5061 178.3037 70 K 3.9453 8.0821 118.0247 59.2110 31.6416 178.9503 71 F 4.0366 8.2805 120.3180 61.5194 39.5689 176.2296 72 Y 4.2337 8.4849 118.9422 60.6539 38.4060 177.6737 73 A 3.5252 8.0305 120.8815 55.1123 18.6215 178.9786 74 T 4.1774 7.2771 104.0390 61.0872 69.8383 174.6636 75 H 3.8500 7.1818 123.0647 55.7668 30.6551 173.9263 76 P 4.1805 0.0000 0.0000 66.0515 31.2257 178.6529 77 E 4.0143 8.3192 116.7508 59.5073 29.3605 178.7301 78 H 4.1005 8.0888 117.9962 59.0216 29.9980 177.2095 79 V 3.4304 8.0506 120.2678 65.8820 31.0759 177.7604 80 A 3.9331 7.8434 119.1028 55.1286 18.6136 179.0676 81 A 4.1898 7.8682 118.8804 55.4226 18.4844 180.1745 82 G 3.6653 8.2507 104.2777 47.8255 0.0000 175.9681 83 K 3.9934 8.1447 120.5831 59.2127 31.7263 179.0711 84 I 3.7220 7.4303 119.1499 64.2703 37.3638 177.4457 85 L 4.0892 7.8966 117.5807 55.1896 41.4280 178.6373 86 A 3.9667 7.5857 122.3642 55.3010 18.4234 179.0514 87 E 4.1207 8.1391 113.6598 58.5416 29.9127 177.7032 88 T 4.4148 7.5394 106.6480 60.9790 70.6010 174.0314 89 K 4.1961 7.9026 124.3061 56.6537 32.9057 174.9557 90 E 4.5012 9.3536 126.4036 57.4754 31.7744 175.6595 91 S 4.8746 7.5888 113.5792 56.6878 67.6897 172.7846 92 R 5.1000 8.8014 122.0909 54.5180 32.8064 174.1290 93 A 4.8700 9.1756 127.7469 50.2938 22.0269 174.4885 94 C 5.1377 8.4941 121.1709 57.8429 35.1625 173.1998 95 V 4.5489 8.7327 124.9089 61.2085 34.9452 173.5470 96 D 5.8500 8.8704 127.0422 52.8924 43.2219 174.6943 97 Y 5.2544 8.2385 120.5074 55.1167 41.4870 174.3767 98 E 4.5055 9.1201 121.9949 55.9531 30.8942 176.4459 99 F 4.6618 8.3230 119.7761 57.1497 38.1873 174.3474 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 Y 8.14 4.57 0.00 2.35 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 0.00 0.00 0.00 -2 F 8.84 4.15 0.00 2.99 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 -1 Q 7.49 3.85 0.00 1.15 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.02 0.00 0.00 0.00 0.00 0.00 2.19 1.95 0.00 0 G 5.38 3.30 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 0.00 -1 V 7.20 3.63 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 1.33 0.00 0.00 0.93 0.00 0.00 0 K 5.66 3.66 0.00 1.81 1.74 0.00 0.61 0.00 0.00 1.61 0.00 0.00 2.13 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.30 1.36 7.81 4 H 8.81 5.39 0.00 3.20 3.28 0.00 5.77 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 I 8.57 4.77 1.97 0.00 0.00 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 1.24 0.54 1.04 0.00 0.00 6 V 8.83 4.78 2.11 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 0.41 0.00 0.00 0.85 0.00 0.00 7 L 8.76 5.38 0.00 1.40 1.65 0.65 0.89 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 8 F 9.72 5.59 0.00 2.86 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 9 K 8.59 4.70 0.00 0.79 0.74 0.00 0.67 0.00 0.00 1.01 0.00 0.00 2.82 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.91 1.17 7.81 10 L 9.05 4.78 0.00 1.44 1.59 0.86 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 11 R 8.60 4.19 0.00 1.68 1.94 0.00 3.10 0.00 0.00 3.22 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 12 D 8.77 4.27 0.00 2.63 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 13 D 7.88 4.69 0.00 2.76 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 14 V 7.20 3.90 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 0.80 0.00 0.00 0.91 0.00 0.00 15 P 0.00 4.38 0.00 2.18 1.95 0.00 3.83 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.13 0.00 16 V 8.45 3.57 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 1.16 0.00 0.00 0.93 0.00 0.00 17 E 8.13 3.95 0.00 2.09 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 0.00 2.40 2.43 0.00 18 E 8.06 3.91 0.00 2.02 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 2.35 2.38 0.00 19 K 8.02 3.87 0.00 1.91 1.86 0.00 1.75 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.63 7.81 20 L 7.94 4.14 0.00 1.76 1.74 0.93 1.23 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 21 V 7.94 3.79 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 1.08 0.00 0.00 0.96 0.00 0.00 22 V 7.74 3.82 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 0.97 0.00 0.00 0.96 0.00 0.00 *24 N 8.03 4.67 0.00 2.89 2.91 0.00 0.00 6.68 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 25 S 8.38 4.13 0.00 3.91 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 26 F 8.58 4.13 0.00 3.12 3.06 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 27 K 8.21 3.79 0.00 1.95 1.99 0.00 1.83 0.00 0.00 1.78 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.53 7.81 28 E 8.26 3.87 0.00 2.09 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 2.29 2.32 0.00 29 A 7.83 3.94 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 30 I 7.59 3.71 1.56 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 0.60 -0.20 0.90 0.00 0.00 31 E 8.07 4.08 0.00 1.99 2.00 0.00 0.00 0.00 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 2.47 0.00 32 A 7.84 4.25 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 33 L 7.91 3.99 0.00 1.89 1.83 1.09 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 34 P 0.00 4.28 0.00 2.00 2.10 0.00 3.74 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.13 0.00 35 A 7.69 4.19 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 36 K 8.24 4.39 0.00 1.80 1.85 0.00 1.70 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.37 1.52 7.81 37 I 7.48 4.53 2.01 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 1.10 1.24 0.00 0.00 38 S 8.82 4.25 0.00 3.98 4.04 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 39 V 7.80 3.92 2.21 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 0.46 0.00 0.00 1.41 0.00 0.00 40 I 7.40 3.34 1.80 0.00 0.00 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 1.26 0.66 0.63 0.00 0.00 41 R 7.86 4.14 0.00 1.65 1.87 0.00 3.27 0.00 0.00 3.08 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.75 0.00 42 K 7.21 4.52 0.00 1.69 1.39 0.00 1.73 0.00 0.00 1.95 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.41 7.81 43 I 8.04 5.05 1.69 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 1.40 0.79 0.87 0.00 0.00 44 E 9.15 4.94 0.00 2.10 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 2.59 2.36 0.00 45 V 9.03 4.99 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 0.99 0.00 0.00 0.94 0.00 0.00 46 G 9.28 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 47 L 8.46 5.19 0.00 1.59 1.66 0.97 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 48 N 8.79 4.34 0.00 2.85 2.82 0.00 0.00 7.13 7.97 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 *50 N 8.54 4.45 0.00 2.80 2.89 0.00 0.00 6.62 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 51 P 0.00 4.36 0.00 2.23 2.18 0.00 3.83 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 52 G 8.55 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 53 E 8.02 4.79 0.00 2.02 1.95 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 2.28 2.39 0.00 54 T 8.48 4.50 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 1.27 0.00 0.00 55 W 8.29 4.44 0.00 3.28 3.28 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 56 N 9.37 4.98 0.00 2.83 2.85 0.00 0.00 7.09 8.09 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 57 I 7.95 5.20 2.14 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 1.37 0.77 1.28 0.00 0.00 58 A 9.43 5.33 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 59 L 9.68 5.20 0.00 2.10 1.77 1.34 0.55 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 60 Y 8.93 5.09 0.00 3.11 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 61 S 7.75 4.76 0.00 3.55 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 62 E 8.49 5.48 0.00 1.65 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 1.62 1.70 0.00 63 F 8.63 4.99 0.00 2.76 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 64 D 9.02 4.39 0.00 2.84 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 65 N 7.50 4.66 0.00 2.93 2.87 0.00 0.00 5.92 6.67 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 66 L 8.26 3.97 0.00 1.78 1.69 0.90 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 67 D 8.17 4.39 0.00 2.93 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 68 D 8.67 4.39 0.00 2.93 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 69 V 7.23 2.35 1.97 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 0.69 0.00 0.00 0.50 0.00 0.00 70 K 8.08 3.95 0.00 2.03 1.85 0.00 1.74 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.58 7.81 71 F 8.28 4.04 0.00 3.09 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 72 Y 8.48 4.23 0.00 3.36 3.04 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 73 A 8.03 3.53 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 74 T 7.28 4.18 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 1.17 0.00 0.00 75 H 7.18 3.85 0.00 3.03 3.11 0.00 5.61 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 P 0.00 4.18 0.00 2.13 2.03 0.00 3.05 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.07 0.00 77 E 8.32 4.01 0.00 2.01 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 2.50 2.36 0.00 78 H 8.09 4.10 0.00 2.87 3.24 0.00 5.68 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 79 V 8.05 3.43 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 0.91 0.00 0.00 0.97 0.00 0.00 80 A 7.84 3.93 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 81 A 7.87 4.19 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 82 G 8.25 3.67 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 0.00 0.00 0.00 83 K 8.14 3.99 0.00 1.98 1.87 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.61 7.81 84 I 7.43 3.72 2.16 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.76 1.03 0.00 0.00 85 L 7.90 4.09 0.00 1.45 1.31 -0.89 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 86 A 7.59 3.97 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 87 E 8.14 4.12 0.00 1.93 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 2.28 2.22 0.00 88 T 7.54 4.41 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 1.17 0.00 0.00 89 K 7.90 4.20 0.00 1.74 1.71 0.00 1.95 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.47 1.43 7.81 90 E 9.35 4.50 0.00 1.97 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 2.08 2.17 0.00 91 S 7.59 4.87 0.00 3.00 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 92 R 8.80 5.10 0.00 1.91 1.83 0.00 3.39 0.00 0.00 3.31 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.12 0.00 93 A 9.18 4.87 0.92 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 0.00 0.00 94 C 8.49 5.14 0.00 2.89 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 95 V 8.73 4.55 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 1.03 0.00 0.00 0.92 0.00 0.00 96 D 8.87 5.85 0.00 2.67 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 97 Y 8.24 5.25 0.00 2.93 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 98 E 9.12 4.51 0.00 2.18 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 0.00 2.76 2.42 0.00 99 F 8.32 4.66 0.00 3.22 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 * Residues marked with a * may have inaccurate shift predictions.