NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 D 4.5868 8.4645 119.5561 52.8807 42.7413 176.7219 7 K 4.2587 7.8271 120.7078 52.9254 30.2002 175.3086 8 V 4.4712 7.4807 121.1560 60.7897 35.7179 174.5470 9 L 4.5355 8.4730 129.8904 53.7812 42.9535 175.5866 10 K 4.4202 8.7336 127.2418 55.7403 33.5188 176.0489 11 I 5.0342 8.4010 125.4061 59.4299 40.0414 174.5616 12 Q 4.6027 9.1454 128.0237 54.2469 31.6415 173.8238 13 L 4.8687 8.5656 126.4242 53.6150 42.7108 176.6332 14 R 4.4266 9.3715 123.4598 56.9597 31.0200 176.7686 15 S 4.5627 7.5790 113.5116 57.1719 66.6834 175.1829 16 A 4.2053 8.4739 125.3517 54.3331 18.6399 179.1225 17 S 4.2202 7.9835 111.6037 60.4217 63.3769 174.5145 18 A 4.4875 7.5363 122.3346 52.0665 18.7486 176.6844 19 T 4.4253 8.0182 115.6607 61.0664 71.3247 174.6067 20 V 3.5698 8.5149 125.5733 62.8713 31.8433 173.7934 21 P 5.2280 0.0000 0.0000 62.7729 31.9988 175.6255 22 T 4.8146 8.8402 111.7851 60.0823 72.1433 172.7362 23 K 4.4231 8.2188 124.4683 55.3089 35.5209 174.6747 *25 S 4.0814 8.5987 111.8047 57.9766 62.9352 175.4199 26 A 3.8784 8.6908 130.9863 54.6600 18.3433 177.5344 27 T 4.2204 7.1103 108.2043 61.9238 68.3449 174.5269 28 A 3.9234 7.1451 121.9374 52.6342 18.8632 177.5618 29 A 4.1328 8.4787 123.0232 54.0428 19.0008 178.0906 30 G 4.2717 7.4330 100.7988 44.6948 0.0000 171.7792 31 Y 4.7635 8.6923 119.1011 56.3035 39.9908 175.1598 32 D 4.6770 9.5504 124.6844 54.4064 42.4666 175.2333 33 I 4.7684 8.2684 123.1149 59.7650 39.9348 174.0915 34 Y 5.2632 8.7120 123.6697 55.7188 40.5506 175.5486 35 A 4.4594 9.3679 126.3334 52.4344 19.4394 177.9219 36 S 4.7430 8.7435 115.9296 57.5194 63.9303 174.0307 37 Q 4.6645 7.5301 116.6095 55.0491 32.3010 173.8223 38 D 4.7561 8.8300 122.2900 54.9277 42.0103 175.5896 39 I 4.0887 8.0310 117.4993 60.7986 42.2283 172.6897 40 T 4.9493 8.5885 125.0107 61.8659 70.7532 173.9783 41 I 4.2959 8.6086 127.9857 59.5921 38.2269 173.7741 42 P 4.8748 0.0000 0.0000 62.3089 32.5261 175.5020 43 A 4.0604 9.1033 123.8800 53.7703 18.8485 177.2609 44 M 3.3162 8.0643 119.9299 54.8148 31.0201 177.1196 45 G 4.1982 7.8006 106.6505 45.9810 0.0000 172.1555 46 Q 5.1415 8.7406 118.3726 55.7679 31.8034 173.6230 47 G 4.1967 8.6272 105.9439 45.7919 0.0000 171.6156 48 M 5.1189 8.4463 119.2386 53.3882 34.3183 175.8122 49 V 4.1620 9.1126 125.8547 61.6316 33.2758 175.6063 50 S 4.8632 8.7441 124.1135 58.9658 63.5205 174.9518 51 T 4.4960 8.6478 110.9558 60.5775 70.6583 173.8563 52 D 4.4890 8.8555 120.9151 54.9454 39.3541 172.6095 53 I 5.2112 7.5717 110.3375 59.3472 41.0579 174.3044 54 S 5.0581 8.9809 118.9133 57.1042 67.1435 172.8149 55 F 5.3362 7.7706 114.7725 56.5116 40.9537 173.3959 56 T 4.7046 8.7607 116.6431 61.8309 70.5269 174.7849 57 V 4.1822 8.6824 119.8976 60.2223 32.7280 174.4604 58 P 4.3582 0.0000 0.0000 62.6581 32.4300 176.1661 59 V 3.4490 8.4324 121.8441 65.1397 31.7698 176.5282 60 G 4.0275 9.4271 114.4792 45.2304 0.0000 172.1969 61 T 5.9516 7.6606 108.3961 59.0465 72.2969 172.1278 62 Y 4.9062 8.5792 119.0453 55.1340 42.3681 174.4852 63 G 4.1627 9.1273 107.1667 44.9173 0.0000 172.8537 64 R 5.0357 8.5282 128.6977 54.9701 31.6437 175.4593 65 I 4.7572 8.9329 128.6558 60.6997 37.2867 175.0957 66 A 4.9905 9.0063 129.9217 48.9935 22.1592 173.7955 67 P 4.6302 0.0000 0.0000 62.5130 32.2155 176.5346 68 R 4.1254 8.4691 121.2963 56.0581 31.2229 177.9547 69 S 4.2285 8.8618 119.0241 61.5592 62.7913 177.1342 70 G 3.6148 7.9925 107.9108 47.9595 0.0000 175.6271 71 L 3.8847 7.8520 120.6884 56.7577 41.5129 179.3889 72 A 4.2250 7.4248 122.0100 54.6077 18.1445 179.9018 73 V 3.5258 7.3630 115.0965 66.0154 31.7313 178.1530 74 K 4.1946 8.0931 117.1980 58.6283 32.1676 177.6971 75 N 4.7815 7.7304 112.2115 51.9057 39.7793 174.4709 76 G 3.9119 7.7256 106.8495 46.5555 0.0000 173.1390 77 I 4.6853 7.4286 120.0338 59.7164 39.0784 174.7492 78 Q 4.8700 8.8433 128.4167 54.1043 31.8427 174.7736 79 T 4.4604 8.7797 116.5790 61.9224 69.8704 173.6438 80 G 4.1919 8.5587 111.1713 43.4367 0.0000 175.3662 81 A 3.5347 10.0478 124.0733 53.4687 17.9363 179.0526 82 G 3.9353 9.0572 107.5319 47.1533 0.0000 172.2384 83 V 4.5838 7.5097 119.8478 61.9403 32.1668 175.4653 84 V 4.2177 9.1867 130.4393 61.1340 32.8830 175.0150 85 D 4.8779 8.5765 128.1717 54.1322 41.5751 177.9534 86 R 4.0464 8.8476 121.2338 59.0102 30.3069 177.0216 87 D 4.6311 7.9911 114.8305 53.4274 40.1255 175.6054 88 Y 4.2937 7.8448 123.1432 58.0389 38.8897 175.0656 89 T 4.1409 7.8102 115.5116 60.9509 69.8340 174.1060 90 G 3.5056 5.6607 111.3166 44.0978 0.0000 172.7686 91 E 3.9854 8.3084 120.2314 56.0231 29.8984 176.4536 92 V 4.0452 8.3580 126.9915 62.6387 31.4194 175.0984 93 K 4.7028 8.5774 127.4942 55.0233 34.1048 176.3742 94 V 4.2252 8.6549 124.5406 61.2906 33.2562 174.8591 95 V 4.2615 8.2443 128.5816 62.4638 33.1302 174.4872 96 L 5.0287 8.6665 127.2217 52.9561 45.4665 175.2941 97 F 5.1311 9.2635 122.6353 56.0429 41.0521 174.4880 98 N 4.9929 9.2476 123.0276 52.5695 39.7007 174.4606 99 H 4.8266 9.2677 123.9795 56.3693 29.8357 175.8854 100 S 4.6289 8.3458 114.9782 57.2311 65.2371 174.7901 101 Q 4.4222 8.6416 116.7737 56.3131 28.8004 176.0086 102 R 4.7834 7.6111 117.5680 53.9953 32.7296 175.6730 103 D 4.7568 8.8960 122.9801 54.5639 42.1237 175.7139 104 F 4.9711 9.2764 124.8360 56.5479 41.1506 174.1467 105 A 4.4887 8.3763 128.9628 51.2579 19.5059 176.1323 106 I 4.1942 8.7857 123.9742 59.3229 40.1693 175.1149 107 K 5.0406 8.5255 124.6932 53.8305 35.5356 175.7470 108 K 4.0974 9.0612 124.2629 58.5759 32.4080 177.3034 109 G 4.0922 9.2327 114.4904 45.3045 0.0000 173.5766 110 D 4.6133 7.9978 120.5178 54.3666 42.0197 175.9254 111 R 4.3702 8.5371 122.0952 56.2534 30.2504 176.6861 112 V 4.5601 8.9425 115.6361 61.2647 34.5284 174.7339 113 A 4.7407 7.5257 120.3993 51.0252 22.7636 174.4618 114 Q 4.8501 9.0099 114.2262 54.6234 32.6777 174.1479 115 L 5.0266 9.1739 123.8041 53.8756 43.8801 174.9023 116 I 4.6268 8.7410 128.0645 59.6745 39.4631 175.7469 117 L 4.3474 8.3647 127.9804 53.3455 40.2232 174.7106 118 E 4.0391 8.1174 121.6797 55.9651 30.7533 176.4663 119 K 4.8801 8.6842 124.9427 56.3604 32.8709 176.3179 120 I 4.7802 8.7693 117.5900 59.2821 41.4197 174.9006 121 V 4.0744 8.4222 122.8806 61.9591 31.3837 175.0485 122 D 4.9578 8.7253 125.9619 53.1549 39.8786 175.8776 123 D 4.8509 7.8035 118.0163 52.9925 40.1238 175.5478 124 A 4.1279 8.1312 122.0674 52.9863 19.0109 177.8483 125 Q 4.2744 8.3616 119.4411 55.1846 29.8536 175.6880 126 I 3.9927 8.2671 123.3898 60.7238 37.4891 175.3599 127 V 4.3667 8.2207 124.9572 60.7809 33.9741 174.4607 128 V 4.2709 8.2939 126.1613 61.3343 32.7411 175.1670 129 V 4.6065 7.9273 119.0118 59.3131 35.2391 175.5819 130 D 4.4941 8.6929 121.3742 57.2179 40.9111 177.4671 131 S 4.6022 7.5165 111.2481 56.8158 65.5012 173.6038 132 L 4.1569 8.6934 127.9909 58.0524 41.8950 178.1132 133 E 3.9532 8.1942 116.5505 59.5075 29.5576 176.6476 134 E 4.2737 8.2161 121.6418 56.2642 30.2294 174.1192 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 6 D 8.46 4.59 0.00 2.71 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 7 K 7.83 4.26 0.00 1.85 1.66 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.83 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.33 1.06 7.81 8 V 7.48 4.47 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 0.93 0.00 0.00 0.93 0.00 0.00 9 L 8.47 4.54 0.00 1.47 1.38 0.55 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 10 K 8.73 4.42 0.00 1.80 1.73 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.43 1.42 7.81 11 I 8.40 5.03 1.88 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 1.18 0.84 0.96 0.00 0.00 12 Q 9.15 4.60 0.00 2.07 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.79 0.00 0.00 0.00 0.00 0.00 2.22 2.28 0.00 13 L 8.57 4.87 0.00 1.56 1.58 0.91 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 14 R 9.37 4.43 0.00 1.68 1.95 0.00 3.14 0.00 0.00 3.19 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 15 S 7.58 4.56 0.00 3.91 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 16 A 8.47 4.21 1.27 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 17 S 7.98 4.22 0.00 3.90 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 18 A 7.54 4.49 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 19 T 8.02 4.43 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 0.44 0.00 0.00 20 V 8.51 3.57 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 0.81 0.00 0.00 0.92 0.00 0.00 21 P 0.00 5.23 0.00 1.99 2.24 0.00 3.73 0.00 0.00 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 22 T 8.84 4.81 4.34 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 1.29 0.00 0.00 23 K 8.22 4.42 0.00 1.02 1.39 0.00 0.61 0.00 0.00 1.25 0.00 0.00 2.50 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.19 0.96 7.81 *25 S 8.60 4.08 0.00 3.88 3.71 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 26 A 8.69 3.88 1.27 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 27 T 7.11 4.22 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 28 A 7.15 3.92 1.18 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 29 A 8.48 4.13 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 30 G 7.43 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 0.00 0.00 0.00 0.00 31 Y 8.69 4.76 0.00 2.94 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 32 D 9.55 4.68 0.00 2.40 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 0.00 0.00 0.00 33 I 8.27 4.77 1.89 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.89 1.01 0.00 0.00 34 Y 8.71 5.26 0.00 2.79 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 35 A 9.37 4.46 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 36 S 8.74 4.74 0.00 3.88 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 0.00 37 Q 7.53 4.66 0.00 1.91 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 7.05 0.00 0.00 0.00 0.00 0.00 2.24 2.35 0.00 38 D 8.83 4.76 0.00 2.54 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 39 I 8.03 4.09 1.86 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 1.22 1.10 0.89 0.00 0.00 40 T 8.59 4.95 4.24 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 1.22 0.00 0.00 41 I 8.61 4.30 2.06 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.22 0.98 0.00 0.00 42 P 0.00 4.87 0.00 2.14 2.20 0.00 3.91 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.00 0.00 43 A 9.10 4.06 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 44 M 8.06 3.32 0.00 2.22 2.17 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.70 0.00 45 G 7.80 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 46 Q 8.74 5.14 0.00 2.03 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.68 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 47 G 8.63 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 48 M 8.45 5.12 0.00 1.86 1.96 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.43 0.00 49 V 9.11 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 1.02 0.00 0.00 0.96 0.00 0.00 50 S 8.74 4.86 0.00 3.84 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 51 T 8.65 4.50 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 1.34 0.00 0.00 52 D 8.86 4.49 0.00 2.95 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 53 I 7.57 5.21 2.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.08 1.03 0.00 0.00 54 S 8.98 5.06 0.00 3.65 3.54 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 55 F 7.77 5.34 0.00 2.99 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 56 T 8.76 4.70 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 1.29 0.00 0.00 57 V 8.68 4.18 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 0.88 0.00 0.00 1.05 0.00 0.00 58 P 0.00 4.36 0.00 2.08 2.00 0.00 3.60 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.22 0.00 59 V 8.43 3.45 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 0.79 0.00 0.00 0.95 0.00 0.00 60 G 9.43 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 0.00 0.00 0.00 61 T 7.66 5.95 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 1.22 0.00 0.00 62 Y 8.58 4.91 0.00 3.30 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 63 G 9.13 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 0.00 0.00 0.00 64 R 8.53 5.04 0.00 1.55 1.68 0.00 3.20 0.00 0.00 3.33 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.88 0.00 65 I 8.93 4.76 1.93 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.05 0.96 0.00 0.00 66 A 9.01 4.99 1.21 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 0.00 0.00 67 P 0.00 4.63 0.00 2.09 2.07 0.00 3.78 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.24 0.00 68 R 8.47 4.13 0.00 1.87 1.86 0.00 3.16 0.00 0.00 3.32 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.53 0.00 69 S 8.86 4.23 0.00 3.84 3.89 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 70 G 7.99 3.61 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 0.00 0.00 0.00 71 L 7.85 3.88 0.00 1.58 1.40 1.03 0.85 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 72 A 7.42 4.22 1.39 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 0.00 0.00 0.00 73 V 7.36 3.53 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 0.85 0.00 0.00 0.95 0.00 0.00 74 K 8.09 4.19 0.00 1.98 1.82 0.00 1.58 0.00 0.00 1.78 0.00 0.00 3.12 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.49 1.52 7.81 75 N 7.73 4.78 0.00 2.19 2.37 0.00 0.00 7.04 7.10 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 76 G 7.73 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 77 I 7.43 4.69 1.70 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 0.74 -0.07 0.83 0.00 0.00 78 Q 8.84 4.87 0.00 2.27 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.99 0.00 0.00 0.00 0.00 0.00 2.42 2.51 0.00 79 T 8.78 4.46 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 1.24 0.00 0.00 80 G 8.56 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 81 A 10.05 3.53 1.05 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 0.00 0.00 82 G 9.06 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 0.00 0.00 0.00 83 V 7.51 4.58 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 0.54 0.00 0.00 0.90 0.00 0.00 84 V 9.19 4.22 2.45 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 0.93 0.00 0.00 1.03 0.00 0.00 85 D 8.58 4.88 0.00 2.80 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 86 R 8.85 4.05 0.00 1.86 2.03 0.00 3.40 0.00 0.00 3.46 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.80 0.00 87 D 7.99 4.63 0.00 2.85 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 88 Y 7.84 4.29 0.00 2.89 3.02 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 89 T 7.81 4.14 4.07 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 1.18 0.00 0.00 90 G 5.66 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.31 3.99 0.00 1.92 1.89 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 2.32 2.31 0.00 92 V 8.36 4.05 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 0.92 0.00 0.00 0.49 0.00 0.00 93 K 8.58 4.70 0.00 1.68 1.72 0.00 1.79 0.00 0.00 1.64 0.00 0.00 3.08 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.62 7.81 94 V 8.65 4.23 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 0.93 0.00 0.00 0.98 0.00 0.00 95 V 8.24 4.26 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 0.51 0.00 0.00 0.83 0.00 0.00 96 L 8.67 5.03 0.00 1.55 1.49 1.05 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 97 F 9.26 5.13 0.00 2.94 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 98 N 9.25 4.99 0.00 2.85 2.93 0.00 0.00 6.94 7.51 0.00 0.00 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 H 9.27 4.83 0.00 3.14 3.32 0.00 5.70 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 S 8.35 4.63 0.00 3.92 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 0.00 101 Q 8.64 4.42 0.00 2.08 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.71 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 102 R 7.61 4.78 0.00 1.71 1.85 0.00 3.20 0.00 0.00 3.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 103 D 8.90 4.76 0.00 2.60 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 0.00 104 F 9.28 4.97 0.00 2.94 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 0.00 105 A 8.38 4.49 1.13 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 0.00 0.00 106 I 8.79 4.19 1.86 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 -0.01 0.86 0.00 0.00 107 K 8.53 5.04 0.00 1.81 1.65 0.00 1.68 0.00 0.00 1.53 0.00 0.00 2.74 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.27 1.45 7.81 108 K 9.06 4.10 0.00 1.66 1.74 0.00 1.81 0.00 0.00 1.70 0.00 0.00 3.24 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.53 7.81 109 G 9.23 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 0.00 0.00 0.00 110 D 8.00 4.61 0.00 2.85 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 0.00 111 R 8.54 4.37 0.00 1.59 1.62 0.00 2.73 0.00 0.00 2.72 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 1.53 0.00 112 V 8.94 4.56 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 0.73 0.00 0.00 1.01 0.00 0.00 113 A 7.53 4.74 1.23 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 0.00 0.00 114 Q 9.01 4.85 0.00 2.04 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.73 0.00 0.00 0.00 0.00 0.00 2.35 2.26 0.00 115 L 9.17 5.03 0.00 1.65 1.70 0.88 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 0.00 0.00 0.00 0.00 116 I 8.74 4.63 1.80 0.00 0.00 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 1.20 0.58 0.85 0.00 0.00 117 L 8.36 4.35 0.00 1.53 1.59 0.88 0.73 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 0.00 118 E 8.12 4.04 0.00 1.26 1.87 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 2.00 2.07 0.00 119 K 8.68 4.88 0.00 1.66 1.77 0.00 1.70 0.00 0.00 1.77 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.45 7.81 120 I 8.77 4.78 1.94 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 1.30 0.74 1.18 0.00 0.00 121 V 8.42 4.07 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 0.90 0.00 0.00 0.95 0.00 0.00 122 D 8.73 4.96 0.00 2.82 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 0.00 123 D 7.80 4.85 0.00 2.75 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 0.00 124 A 8.13 4.13 1.26 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 0.00 125 Q 8.36 4.27 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.94 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 126 I 8.27 3.99 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 1.30 0.53 0.91 0.00 0.00 127 V 8.22 4.37 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 0.80 0.00 0.00 0.93 0.00 0.00 128 V 8.29 4.27 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 0.88 0.00 0.00 0.93 0.00 0.00 129 V 7.93 4.61 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 0.81 0.00 0.00 0.93 0.00 0.00 130 D 8.69 4.49 0.00 2.66 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 0.00 131 S 7.52 4.60 0.00 3.77 3.77 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 0.00 0.00 0.00 132 L 8.69 4.16 0.00 1.68 1.71 0.92 0.95 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 0.00 133 E 8.19 3.95 0.00 1.95 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 2.32 2.32 0.00 134 E 8.22 4.27 0.00 2.15 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 0.00 2.13 2.24 0.00 * Residues marked with a * may have inaccurate shift predictions.