NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.5295 7.9332 110.8844 61.5209 71.2176 172.3260 3 L 4.6115 8.9089 124.3982 53.3305 43.2437 174.3416 4 I 4.7441 9.4266 127.7741 60.1912 39.1493 174.6174 5 I 4.7101 8.8781 129.6697 59.6590 39.2888 174.8730 6 L 5.2959 9.0155 127.7567 53.1896 43.8780 175.6129 7 E 5.1358 10.1328 123.0089 54.4636 33.9094 174.5943 8 G 4.2494 7.7041 106.9354 42.9554 0.0000 171.9753 9 P 4.7408 0.0000 0.0000 61.8982 32.0885 175.8614 10 D 4.4784 8.6792 119.0442 55.5432 41.5482 175.9501 11 C 4.1790 8.6198 114.9058 61.5281 25.6529 173.2718 12 C 4.2754 7.0980 110.2938 59.5803 29.6430 175.8061 13 F 4.0320 8.9619 114.6345 58.6198 36.6974 177.4539 14 K 3.9782 7.8065 121.2807 60.0396 31.7915 179.4579 15 S 4.1901 8.0962 114.6619 61.8121 62.6986 176.8514 16 T 3.8599 7.8760 118.1143 66.4004 68.2751 176.7343 17 V 3.4846 8.2093 120.3261 65.9966 31.6065 177.5807 18 A 3.9829 8.1453 120.2982 55.3167 18.1606 179.3860 19 A 3.9330 8.0594 118.8965 55.3733 18.4099 180.0192 20 K 3.8905 8.2482 117.1749 59.7008 32.1562 179.7043 21 L 3.9478 8.3346 119.6271 57.6022 41.4639 179.5922 22 S 4.2050 8.2063 113.3750 61.2074 62.1679 176.1222 23 K 3.9529 7.9646 121.2469 58.6550 31.8916 177.7710 24 E 4.2238 7.4935 118.2889 58.4138 30.2639 177.6398 25 L 3.9048 8.0430 116.7786 54.6931 41.7285 177.5245 26 K 4.0156 7.7039 116.6726 57.4359 29.8986 174.7588 27 Y 4.8846 7.7750 116.1291 56.3519 38.9572 174.1015 28 P 4.5035 0.0000 0.0000 62.9413 32.9756 174.9864 29 I 4.8914 8.2581 122.8856 59.9473 39.0228 175.2429 30 I 4.7246 9.0765 126.9492 59.3780 41.2590 174.6213 31 K 4.1984 8.9128 126.2242 57.1057 32.2963 175.5316 32 G 3.9452 9.3506 114.7331 48.0141 0.0000 173.8981 33 S 4.7351 7.8902 126.2029 58.5220 62.4942 173.1266 34 S 4.7506 8.4101 120.9657 56.2189 63.6267 173.9826 35 F 4.1168 8.5551 129.8558 61.4309 38.7485 176.6430 36 E 3.8129 8.3857 118.4248 59.2236 29.4016 179.0065 37 L 3.8031 7.3806 119.7940 58.0237 42.1008 178.8753 38 A 3.6921 7.4234 120.5345 54.5271 17.8524 179.1017 39 K 4.6204 7.0155 115.3313 57.1216 32.4069 178.4436 40 S 4.3475 7.3552 113.7353 57.4192 63.8739 174.0972 41 G 4.1959 7.5076 110.2074 44.3869 0.0000 174.3917 42 N 4.2459 8.9184 118.3167 56.4514 38.8662 176.7689 43 E 3.9708 8.1334 120.1066 59.4922 29.7736 178.9254 44 K 3.9323 7.9283 117.9082 59.1492 32.2550 178.7360 45 L 3.5556 7.9369 120.7260 58.0909 41.9672 178.7557 46 F 4.3665 8.9650 120.6912 61.5598 39.4912 176.9810 47 E 3.6338 8.3420 118.1745 59.4100 29.1677 178.9548 48 H 4.0072 7.9544 118.2088 59.4180 29.9273 177.4522 49 F 4.6349 7.5393 119.1434 60.6460 38.5118 177.2074 50 N 4.3666 8.1866 116.8528 56.0969 38.3827 177.3381 51 K 3.9426 7.5434 119.3413 59.4347 32.4908 178.9687 52 L 4.1185 7.9272 118.9959 57.8018 41.3533 179.4219 53 A 4.2087 8.3742 119.9725 55.0998 18.3754 178.6637 54 D 4.5384 7.6658 115.0759 55.3421 41.3930 176.2740 55 E 4.4282 8.0328 119.9603 55.5606 31.3787 174.2008 56 D 4.3723 8.1873 116.4811 54.4077 44.2229 173.8387 57 N 3.1400 7.8076 116.4114 53.7209 36.3020 174.1166 58 V 4.6402 6.6918 109.1462 60.0009 37.5758 175.6078 59 I 4.9130 8.7597 123.0281 59.8926 39.6823 174.8831 60 I 4.7881 8.6302 129.2629 59.7142 39.1629 174.6594 61 D 4.8358 9.1746 128.8428 53.7950 42.1394 171.9336 62 R 4.9609 9.7737 134.2286 55.9511 32.0783 174.0159 63 F 5.1841 9.7506 127.9493 56.3678 40.4167 176.9919 64 V 2.5940 6.9700 108.3197 64.2090 30.6649 177.5409 65 Y 4.2129 7.1497 115.6616 61.2811 37.6626 179.0576 66 S 4.3574 8.3608 114.6894 61.3599 62.9353 176.1539 67 N 4.7532 8.2577 120.2245 56.7205 38.5126 176.9761 68 L 4.0903 7.8170 119.0831 57.4359 42.1325 179.0452 69 V 3.3620 7.1367 118.0292 65.9222 31.3755 177.7320 70 Y 3.9493 7.6978 116.0028 60.3527 37.5175 178.2581 71 A 3.9367 7.7152 121.1114 54.3036 18.5527 178.7514 72 K 4.1746 7.5248 114.4655 56.8184 32.4770 177.1702 73 K 4.0712 7.6613 120.2580 57.0146 33.3799 176.1989 74 F 5.1498 7.3360 115.3834 55.6133 40.8069 175.7083 75 K 4.3343 8.7234 123.2984 57.1581 32.9575 176.0604 76 D 4.3508 8.7325 118.0805 55.8343 38.2593 172.8316 77 Y 4.3356 7.9421 120.8539 55.4417 39.6868 175.0483 78 S 4.3898 8.8413 123.4253 59.0516 64.2520 173.4916 79 I 4.9239 8.0935 121.1379 59.0897 41.2824 174.8821 80 L 4.3026 8.5659 126.1797 54.5857 42.4526 177.7805 81 T 4.3066 8.0105 112.5380 60.6603 71.3637 175.5780 82 E 3.8593 8.5100 121.2941 59.4003 29.5392 178.4905 83 R 3.8709 7.9475 118.1118 59.6883 30.1125 178.2191 84 Q 3.7439 7.8718 117.5167 58.7250 28.6858 178.4049 85 L 3.9138 8.0791 121.3991 58.5628 42.1619 179.4087 86 R 4.0172 8.2984 117.8791 58.8991 29.6777 178.9738 87 F 4.1137 8.2659 120.2086 61.4937 39.8565 176.9268 88 I 3.9172 8.2218 119.4201 64.4063 36.8751 178.3089 89 E 4.0342 8.3524 119.4401 59.5713 29.1411 178.9834 90 D 4.3715 7.9216 116.5494 56.6585 41.2915 177.5452 91 K 4.0846 7.5256 118.9092 57.5638 32.4958 177.4733 92 I 4.4205 7.4501 110.9155 60.1762 38.1313 176.9105 93 K 3.7827 8.0119 120.5715 59.9735 32.2362 177.5338 94 A 4.4531 7.8991 119.4297 52.3616 19.3345 176.9889 95 K 4.7153 7.6618 112.4653 55.7819 34.7060 175.9109 96 A 5.0796 8.4103 123.1777 51.0435 20.8059 177.3164 97 K 4.5638 9.2509 119.1781 54.7645 35.8335 175.7750 98 V 4.6249 8.6244 126.4194 61.7947 33.1138 174.6117 99 V 5.0367 9.2282 129.3113 61.5408 33.8422 173.5633 100 Y 5.2112 9.9659 131.6209 56.4421 40.1835 173.9516 101 L 5.1421 8.6664 127.6704 53.4409 44.5684 175.7199 102 H 4.7731 8.1501 117.4484 55.5823 32.1373 171.5189 103 A 4.7532 8.0161 117.6328 51.3087 21.9645 176.3161 104 D 4.4730 8.4774 119.0153 53.7493 41.8881 176.0528 105 P 4.2903 0.0000 0.0000 66.1993 31.3030 179.1963 106 S 4.2356 8.0440 112.1695 61.2327 62.8104 176.5811 107 V 3.6099 7.5986 121.3766 65.8069 31.5540 177.8748 108 I 3.8461 7.6336 119.1044 64.1635 37.0650 178.0200 109 K 3.6847 8.0484 119.3863 59.7038 31.7907 179.0085 110 K 3.9676 7.8891 118.0201 59.8662 32.1148 178.6664 111 R 4.1681 7.8875 116.9679 57.8058 30.0398 177.6245 112 L 4.8936 7.4735 118.6675 53.4180 44.0672 177.8758 113 R 5.0197 7.9034 119.9112 56.2091 27.9336 175.3974 114 V 4.3775 8.2131 113.9382 59.9371 34.8571 176.1678 115 R 4.6739 8.0925 121.0677 55.7058 32.3344 174.7354 116 G 3.3296 8.2556 115.4067 48.0433 0.0000 174.8178 117 D 4.4624 8.0729 118.8280 56.1097 39.9171 177.1704 118 E 4.0976 8.3759 120.1417 59.0739 29.9803 176.9027 119 Y 4.1165 8.0551 115.7963 58.1893 38.6150 175.5663 *124 D 4.6948 8.0824 119.3853 54.4341 43.3242 177.5963 125 I 3.7656 6.6376 118.3119 64.6322 37.9699 177.7930 126 D 4.3927 8.1170 119.2023 57.5822 40.8309 178.7680 127 S 4.1409 8.0037 113.0558 61.2471 62.3798 176.1284 128 I 3.6554 7.9251 122.8165 64.2025 36.7951 178.3395 129 L 4.1945 8.1876 119.9731 57.8217 41.4734 179.1542 130 E 3.9354 8.1156 118.7808 59.2328 29.5705 178.9225 131 L 3.8866 7.7577 118.5345 57.8762 41.4342 178.9802 132 Y 3.9175 7.8161 115.5422 61.1313 37.9355 178.5299 133 R 3.9322 7.9705 117.5628 59.3535 30.3025 178.4020 134 E 4.3396 7.8150 118.6651 58.6609 29.9630 179.3411 135 V 3.6062 7.9912 114.5791 64.0155 31.2277 177.3152 *137 S 4.3032 8.0210 112.5833 57.4810 64.5795 174.3920 138 N 4.7306 7.6202 116.2926 52.7013 39.0353 175.1195 139 A 4.1638 7.6548 121.5370 52.5588 18.8474 177.5754 140 G 4.0187 9.1045 108.5900 45.1739 0.0000 173.6440 141 L 4.8567 7.3538 118.5430 52.4625 44.7961 175.9222 142 H 4.1793 8.6464 118.0793 56.1111 29.2028 174.9660 143 T 4.9143 7.8628 112.3266 60.0658 72.2432 172.4449 144 Y 4.6733 9.0569 119.3200 56.0904 41.5325 174.9696 145 S 5.2470 8.4071 117.4959 56.4285 66.4508 173.3432 146 W 4.8408 9.0090 120.6013 55.0691 33.5240 173.9997 147 D 4.4774 9.0250 124.3735 52.9225 40.9232 176.9110 148 T 4.2022 8.3203 117.3294 62.9013 68.6934 175.6674 149 G 3.8088 8.3116 110.7838 46.8166 0.0000 174.4364 150 Q 4.3478 8.2615 117.5945 55.3467 30.8743 175.8334 151 W 5.0174 7.9805 116.9436 54.5335 32.0620 175.2555 152 S 4.6494 9.0953 117.4757 57.7971 65.0594 175.4525 153 S 4.1284 8.2025 116.7872 61.6532 61.9450 176.0958 154 D 4.2467 7.8542 120.3525 57.3060 41.1455 177.9229 155 E 4.0312 8.1560 118.8521 59.1240 29.4373 179.4514 156 I 2.8528 7.8594 119.8727 63.8962 37.1042 178.1034 157 A 3.7762 7.6641 121.4933 55.2255 18.1625 179.6622 158 K 3.8546 7.8276 116.7990 59.7733 32.0373 179.2582 159 D 4.3103 7.8332 118.8022 57.5127 40.6906 178.9628 160 I 3.6583 7.4485 120.2109 64.3052 37.0363 178.6530 161 I 3.6136 8.1237 121.1229 64.2443 36.7197 178.2083 162 F 4.1013 8.3424 120.7320 61.0850 39.5352 176.5956 163 L 4.1385 8.4059 120.2999 58.3387 42.0882 178.9784 164 V 3.4852 7.9717 118.3642 66.2134 31.2902 177.8146 165 E 3.9235 8.2194 118.0987 59.0870 29.1382 179.4756 166 L 3.8052 7.5879 118.9903 57.9354 41.5660 179.3102 167 E 3.9427 7.9809 116.4299 59.5771 29.5147 178.2777 168 H 4.4700 7.8188 112.9923 55.5756 29.4870 174.6655 169 H 4.0260 8.0844 117.6246 57.6286 26.5744 173.9403 170 H 5.0474 8.1019 114.2064 54.1356 31.8695 174.4639 171 H 4.3310 8.4386 118.5952 55.5836 30.1571 175.5691 172 H 4.4564 8.4106 116.3372 56.3178 28.9302 174.5998 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 T 7.93 4.53 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 3 L 8.91 4.61 0.00 1.57 1.52 0.86 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 4 I 9.43 4.74 1.97 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 1.33 0.91 0.97 0.00 0.00 5 I 8.88 4.71 1.99 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 0.80 0.47 1.15 0.00 0.00 6 L 9.02 5.30 0.00 1.66 1.66 0.99 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 7 E 10.13 5.14 0.00 2.09 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 0.00 2.51 2.80 0.00 8 G 7.70 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 0.00 0.00 0.00 0.00 9 P 0.00 4.74 0.00 2.28 2.30 0.00 3.68 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.00 0.00 10 D 8.68 4.48 0.00 2.72 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 11 C 8.62 4.18 0.00 3.09 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 12 C 7.10 4.28 0.00 2.92 2.59 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 0.00 13 F 8.96 4.03 0.00 3.18 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 14 K 7.81 3.98 0.00 1.99 2.08 0.00 1.77 0.00 0.00 1.78 0.00 0.00 3.24 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.52 1.52 7.81 15 S 8.10 4.19 0.00 3.91 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 16 T 7.88 3.86 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 1.11 0.00 0.00 17 V 8.21 3.48 2.30 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 0.94 0.00 0.00 1.05 0.00 0.00 18 A 8.15 3.98 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 19 A 8.06 3.93 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 20 K 8.25 3.89 0.00 1.88 1.81 0.00 1.60 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.58 7.81 21 L 8.33 3.95 0.00 1.75 1.64 0.88 0.64 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 22 S 8.21 4.20 0.00 4.02 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 23 K 7.96 3.95 0.00 1.78 1.94 0.00 1.82 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.43 7.81 24 E 7.49 4.22 0.00 1.95 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 2.20 2.29 0.00 25 L 8.04 3.90 0.00 1.07 0.40 0.53 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 26 K 7.70 4.02 0.00 1.97 1.99 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.54 7.81 27 Y 7.78 4.88 0.00 2.77 2.81 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 28 P 0.00 4.50 0.00 2.09 1.99 0.00 3.76 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 29 I 8.26 4.89 1.91 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 1.39 0.59 0.96 0.00 0.00 30 I 9.08 4.72 1.91 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 1.26 0.82 0.99 0.00 0.00 31 K 8.91 4.20 0.00 1.72 1.85 0.00 1.80 0.00 0.00 1.76 0.00 0.00 2.83 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.51 1.51 7.81 32 G 9.35 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 33 S 7.89 4.74 0.00 4.43 4.16 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 34 S 8.41 4.75 0.00 3.90 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 35 F 8.56 4.12 0.00 3.12 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 36 E 8.39 3.81 0.00 2.18 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 0.00 2.39 2.41 0.00 37 L 7.38 3.80 0.00 1.68 1.67 0.70 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 38 A 7.42 3.69 0.18 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 0.00 0.00 0.00 0.00 0.00 39 K 7.02 4.62 0.00 1.60 1.67 0.00 1.45 0.00 0.00 1.49 0.00 0.00 3.21 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.33 0.36 7.81 40 S 7.36 4.35 0.00 3.95 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 41 G 7.51 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 0.00 0.00 0.00 0.00 42 N 8.92 4.25 0.00 2.76 2.81 0.00 0.00 6.57 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 43 E 8.13 3.97 0.00 2.07 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 2.39 2.44 0.00 44 K 7.93 3.93 0.00 1.74 1.74 0.00 1.83 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.48 1.44 7.81 45 L 7.94 3.56 0.00 1.73 1.75 0.73 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 46 F 8.96 4.37 0.00 3.10 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 47 E 8.34 3.63 0.00 2.25 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 2.31 2.30 0.00 48 H 7.95 4.01 0.00 3.15 3.03 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 F 7.54 4.63 0.00 3.19 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 50 N 8.19 4.37 0.00 2.12 2.62 0.00 0.00 7.14 5.77 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 51 K 7.54 3.94 0.00 1.94 1.82 0.00 1.73 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.63 7.81 52 L 7.93 4.12 0.00 2.16 1.77 0.87 1.23 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 53 A 8.37 4.21 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 54 D 7.67 4.54 0.00 2.78 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 55 E 8.03 4.43 0.00 2.03 1.85 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 2.48 2.35 0.00 56 D 8.19 4.37 0.00 2.64 2.36 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 57 N 7.81 3.14 0.00 2.63 2.18 0.00 0.00 6.73 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 58 V 6.69 4.64 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 0.72 0.00 0.00 0.83 0.00 0.00 59 I 8.76 4.91 2.05 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 1.36 1.06 0.96 0.00 0.00 60 I 8.63 4.79 1.69 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.61 1.01 0.00 0.00 61 D 9.17 4.84 0.00 2.83 2.66 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 62 R 9.77 4.96 0.00 2.24 2.26 0.00 3.65 0.00 0.00 3.34 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.87 0.00 63 F 9.75 5.18 0.00 2.96 2.82 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 0.00 0.00 0.00 64 V 6.97 2.59 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 -0.92 0.00 0.00 -0.18 0.00 0.00 65 Y 7.15 4.21 0.00 3.32 3.05 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 66 S 8.36 4.36 0.00 4.41 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 0.00 67 N 8.26 4.75 0.00 3.16 3.09 0.00 0.00 7.10 6.81 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 68 L 7.82 4.09 0.00 1.81 1.68 0.95 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 69 V 7.14 3.36 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 -0.06 0.00 0.00 0.00 0.00 0.00 70 Y 7.70 3.95 0.00 3.02 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 71 A 7.72 3.94 1.57 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 0.00 0.00 72 K 7.52 4.17 0.00 1.74 1.76 0.00 1.65 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.48 7.81 73 K 7.66 4.07 0.00 1.31 1.29 0.00 1.46 0.00 0.00 1.51 0.00 0.00 2.97 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.56 0.55 7.81 74 F 7.34 5.15 0.00 3.14 3.09 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 75 K 8.72 4.33 0.00 1.87 1.81 0.00 1.96 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.54 7.81 76 D 8.73 4.35 0.00 2.88 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 77 Y 7.94 4.34 0.00 3.06 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 78 S 8.84 4.39 0.00 3.82 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 79 I 8.09 4.92 1.97 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 1.39 0.97 0.94 0.00 0.00 80 L 8.57 4.30 0.00 1.69 1.60 0.78 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 81 T 8.01 4.31 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 1.13 0.00 0.00 82 E 8.51 3.86 0.00 2.08 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 0.00 2.37 2.43 0.00 83 R 7.95 3.87 0.00 1.86 1.81 0.00 3.14 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 84 Q 7.87 3.74 0.00 2.21 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.55 0.00 0.00 0.00 0.00 0.00 1.16 1.74 0.00 85 L 8.08 3.91 0.00 1.70 1.92 0.76 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 86 R 8.30 4.02 0.00 1.91 2.01 0.00 3.38 0.00 0.00 3.27 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.81 0.00 87 F 8.27 4.11 0.00 3.16 3.44 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 88 I 8.22 3.92 2.06 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.45 1.03 0.00 0.00 89 E 8.35 4.03 0.00 2.20 2.07 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 2.43 2.61 0.00 90 D 7.92 4.37 0.00 2.77 2.68 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 91 K 7.53 4.08 0.00 1.50 1.83 0.00 1.78 0.00 0.00 1.98 0.00 0.00 2.96 0.00 0.00 2.52 0.00 0.00 0.00 0.00 1.37 1.32 7.81 92 I 7.45 4.42 1.89 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.09 0.95 0.00 0.00 93 K 8.01 3.78 0.00 1.94 2.20 0.00 1.61 0.00 0.00 1.81 0.00 0.00 2.99 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.62 1.42 7.81 94 A 7.90 4.45 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 95 K 7.66 4.72 0.00 1.77 1.98 0.00 1.46 0.00 0.00 1.80 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.40 7.81 96 A 8.41 5.08 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 97 K 9.25 4.56 0.00 1.68 1.83 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.55 7.81 98 V 8.62 4.62 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 1.13 0.00 0.00 1.14 0.00 0.00 99 V 9.23 5.04 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 1.24 0.00 0.00 1.19 0.00 0.00 100 Y 9.97 5.21 0.00 2.91 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 0.00 101 L 8.67 5.14 0.00 1.54 1.52 0.99 0.78 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 0.00 102 H 8.15 4.77 0.00 2.98 2.67 0.00 5.30 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 8.02 4.75 1.06 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 0.00 104 D 8.48 4.47 0.00 2.80 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 0.00 105 P 0.00 4.29 0.00 2.18 2.34 0.00 3.62 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.21 0.00 106 S 8.04 4.24 0.00 4.08 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 0.00 107 V 7.60 3.61 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 0.83 0.00 0.00 0.93 0.00 0.00 108 I 7.63 3.85 2.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.54 0.87 0.00 0.00 109 K 8.05 3.68 0.00 2.09 2.20 0.00 1.78 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 3.10 0.00 0.00 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0.00 0.00 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 2.37 0.00 131 L 7.76 3.89 0.00 1.70 1.42 0.71 0.56 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 0.00 132 Y 7.82 3.92 0.00 3.17 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 0.00 133 R 7.97 3.93 0.00 1.95 1.98 0.00 3.18 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.92 0.00 134 E 7.81 4.34 0.00 1.92 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 2.27 2.13 0.00 135 V 7.99 3.61 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 1.15 0.00 0.00 0.83 0.00 0.00 *137 S 8.02 4.30 0.00 3.99 4.11 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 0.00 138 N 7.62 4.73 0.00 2.94 2.87 0.00 0.00 6.92 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 0.00 139 A 7.65 4.16 0.84 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 0.00 0.00 140 G 9.10 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 0.00 0.00 0.00 141 L 7.35 4.86 0.00 1.69 1.63 1.09 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 142 H 8.65 4.18 0.00 3.05 3.04 0.00 5.83 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 T 7.86 4.91 4.18 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 0.00 0.00 1.07 0.00 0.00 144 Y 9.06 4.67 0.00 2.99 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 0.00 145 S 8.41 5.25 0.00 3.95 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 0.00 146 W 9.01 4.84 0.00 3.27 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 0.00 147 D 9.02 4.48 0.00 2.80 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 0.00 148 T 8.32 4.20 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 0.91 0.00 0.00 149 G 8.31 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 0.00 150 Q 8.26 4.35 0.00 1.72 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.55 0.00 0.00 0.00 0.00 0.00 2.16 2.35 0.00 151 W 7.98 5.02 0.00 3.50 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 0.00 152 S 9.10 4.65 0.00 4.00 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 0.00 153 S 8.20 4.13 0.00 3.31 3.58 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 0.00 154 D 7.85 4.25 0.00 2.68 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 0.00 155 E 8.16 4.03 0.00 2.36 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 0.00 2.40 2.40 0.00 156 I 7.86 2.85 1.74 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 0.62 0.71 -0.04 0.00 0.00 157 A 7.66 3.78 1.24 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 0.00 0.00 0.00 158 K 7.83 3.85 0.00 1.92 1.87 0.00 1.67 0.00 0.00 1.63 0.00 0.00 3.07 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.64 7.81 159 D 7.83 4.31 0.00 2.70 2.81 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 0.00 160 I 7.45 3.66 1.82 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.36 0.85 0.00 0.00 161 I 8.12 3.61 1.99 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 1.30 0.82 0.87 0.00 0.00 162 F 8.34 4.10 0.00 3.09 3.16 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 0.00 163 L 8.41 4.14 0.00 1.86 1.82 0.90 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 164 V 7.97 3.49 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 0.84 0.00 0.00 0.96 0.00 0.00 165 E 8.22 3.92 0.00 1.99 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 2.25 2.59 0.00 166 L 7.59 3.81 0.00 1.86 1.65 1.07 0.74 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 0.00 167 E 7.98 3.94 0.00 1.87 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 2.28 2.58 0.00 168 H 7.82 4.47 0.00 3.16 2.88 0.00 5.83 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 H 8.08 4.03 0.00 3.21 3.37 0.00 5.79 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 H 8.10 5.05 0.00 3.12 3.10 0.00 5.67 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 H 8.44 4.33 0.00 3.05 3.22 0.00 5.85 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 H 8.41 4.46 0.00 3.11 3.13 0.00 5.73 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.