NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.3953 8.2993 120.1344 56.4773 33.6846 176.0884 3 T 4.1210 8.6396 114.8009 60.6468 70.8957 172.6091 4 E 4.0514 8.8291 121.4820 59.5369 29.9643 180.4660 5 K 3.9147 7.9354 118.4244 59.3566 32.7089 178.1477 6 D 4.5166 8.0284 119.2851 57.1469 40.6671 179.6811 7 K 4.0898 7.8508 115.5710 57.1809 31.4499 178.7310 *9 L 4.0932 7.9380 120.7429 54.7298 43.2888 177.8886 10 A 4.0895 7.7082 118.9158 52.8165 18.5867 178.1889 11 G 4.1311 8.3478 103.4578 44.7893 0.0000 173.3620 12 E 4.0906 8.7116 120.2865 57.2508 29.2857 177.4252 *14 Y 4.7060 8.8279 121.5435 57.4171 41.1713 176.2521 15 I 4.4459 9.2986 122.1878 60.6174 37.3696 177.0418 16 A 4.2799 8.4020 131.7178 54.8748 18.4097 177.5209 17 D 4.8761 7.9085 113.9090 54.2979 41.3002 176.5020 18 D 4.4494 8.0242 119.4661 54.7865 42.6928 176.6997 19 E 3.9709 8.9730 125.9265 59.7181 29.5383 179.3245 20 E 3.9895 8.2753 118.6610 59.2999 29.7822 178.7197 21 L 4.2478 8.0002 119.1717 57.7259 41.6122 179.5681 22 V 3.5950 8.2146 118.2378 66.0690 31.5152 177.9122 23 A 4.0278 7.9965 120.1816 55.3391 18.1097 179.3480 24 D 4.4834 8.3637 117.3923 57.6211 40.9504 179.3105 25 R 3.8647 8.2063 120.1113 58.7850 30.0571 179.5744 26 V 3.6438 8.1111 112.5962 64.2107 31.4512 178.3289 27 E 3.9347 8.3770 119.0662 59.0737 29.4336 178.5547 28 A 3.9903 8.2476 121.1476 55.2138 18.4148 179.8074 29 K 3.9024 8.0483 116.8497 59.5419 31.9760 179.8192 30 R 3.9240 7.9596 118.3513 59.2641 29.9533 178.9338 31 L 4.0212 8.1149 120.1116 58.4235 42.0087 178.9915 32 T 4.0060 8.3573 116.1982 66.6527 68.3959 176.4189 33 R 3.9204 8.1733 120.5178 59.4886 30.0412 178.5655 34 L 4.0059 7.7778 118.6317 57.8569 41.5272 178.8596 35 Y 3.9973 8.3958 119.7250 60.8701 38.7242 177.8635 36 N 4.1163 8.5904 117.7428 56.0903 38.5671 176.8605 37 E 3.8231 8.2271 120.3959 59.2623 29.6544 178.6219 38 A 3.8804 7.9508 120.9909 55.2427 18.3053 180.0562 39 V 3.2940 7.4310 117.7893 64.8242 31.2397 178.3538 40 E 3.9690 8.1560 119.0074 58.9728 29.4436 178.6173 41 T 4.3039 7.9153 106.8823 61.0156 69.4964 174.7540 42 G 3.7383 7.5499 109.5090 46.7868 0.0000 173.3418 43 D 4.5530 8.0692 119.3652 52.9330 41.9978 176.8616 44 E 4.1091 8.7363 125.9105 59.0497 29.7076 178.5204 45 R 4.2712 8.8655 117.3593 57.0983 29.9198 178.3293 46 R 3.9078 7.9203 117.8152 59.4936 29.0881 178.8707 47 F 4.3342 7.6705 118.1468 60.6505 38.6970 177.7731 48 T 3.9509 8.0081 113.8868 66.5593 68.7033 176.2897 49 L 4.1956 8.1054 120.9153 57.8237 41.6552 179.2873 50 L 3.7043 8.3386 120.5591 58.1585 41.4355 178.6579 51 N 4.3933 8.5745 116.1271 55.6452 38.2425 176.9497 52 Q 4.2111 7.7520 118.3157 57.3350 29.0496 177.0226 53 L 4.2151 7.5302 121.6639 57.4154 42.7059 176.7366 54 L 4.2968 7.7686 117.6689 54.4084 42.2379 177.6114 55 G 3.9222 8.7555 109.6365 48.5443 0.0000 173.9284 56 S 4.9124 7.4371 112.5998 57.2889 65.7087 174.7421 57 S 5.6627 8.4100 114.4079 55.4731 65.9601 174.6451 58 A 4.1848 8.9061 123.6531 54.2344 18.5507 177.9503 59 D 4.6348 7.5637 108.7909 52.1868 40.4328 176.8202 60 G 3.9918 8.2236 107.3818 46.2422 0.0000 174.0320 61 K 4.2374 8.3263 117.3222 55.1515 33.1847 176.2706 62 A 4.2106 8.3759 120.2448 52.9245 19.0580 178.0264 63 Q 4.5235 9.4094 124.4739 54.6827 30.3664 174.0746 64 I 4.5528 7.7095 127.2095 59.1567 39.2629 175.8949 65 N 4.6503 8.6516 125.6213 52.2651 39.5795 173.3317 66 P 4.9094 0.0000 0.0000 62.6611 33.8051 174.6365 67 D 5.1414 8.5970 120.3121 53.2458 41.9712 175.9624 68 F 4.9312 9.6732 127.4899 58.2335 40.4631 174.8999 69 R 4.5915 7.8721 122.7807 54.6032 34.2697 173.9346 70 C 5.4391 7.8473 115.6132 57.2760 32.4710 173.9169 71 D 4.1664 8.8589 119.1128 57.2154 40.7283 178.2247 72 Y 4.0315 8.5455 113.4325 56.9143 40.6875 176.5834 73 G 4.4733 8.8778 111.4948 46.9350 0.0000 174.8796 74 Y 4.4156 7.1503 116.7966 58.2409 38.4973 176.2793 75 N 4.8867 8.2639 117.9009 53.5161 39.2056 173.8197 76 I 4.7908 7.6560 121.2146 60.0153 39.4735 174.4268 77 H 5.1762 9.1883 123.8687 54.1955 32.1419 172.9822 78 V 4.5623 8.6271 116.9493 59.4414 34.9794 176.9403 79 G 4.2891 7.9468 110.8981 45.2433 0.0000 173.5307 80 K 4.3049 9.2520 120.0744 56.7687 33.5009 177.5333 81 S 3.8612 9.1664 117.2942 59.4990 61.1613 172.8362 82 F 4.5680 8.0326 121.6969 58.2233 40.6368 173.5656 83 F 4.9107 7.8509 127.5192 56.0777 41.9806 173.6902 84 A 4.3665 7.5080 127.2124 50.0374 21.8098 175.6562 85 N 4.0017 8.6336 122.6759 52.5656 41.4672 174.2850 86 F 4.4980 8.4686 116.0593 58.6297 40.3844 175.4357 87 N 4.8024 8.6285 117.6020 54.1029 36.5219 173.8516 88 C 5.0427 8.0350 114.5268 59.1127 30.7808 173.8225 89 V 4.6308 8.5604 121.6319 61.1160 34.5217 174.2534 90 I 4.8225 8.5306 128.2860 59.6639 40.4559 174.9594 91 L 4.7307 9.0945 129.6905 52.9405 41.6176 177.5076 92 D 5.0212 7.9078 129.2936 52.2743 38.7951 177.6232 93 V 3.7285 7.7389 113.8915 64.5736 32.3713 176.6226 94 C 4.8024 7.6910 115.5865 57.3051 31.1844 173.8747 95 E 4.2548 8.6691 119.2184 57.0037 30.3523 176.6460 96 V 4.6671 9.1118 124.6157 61.3632 33.9763 173.9337 97 R 4.9569 8.9176 129.8119 54.7224 32.1539 174.8003 98 I 4.8898 8.9753 127.3089 59.6000 40.4153 176.3964 99 G 4.3283 8.4410 115.1021 45.6969 0.0000 172.2382 100 D 4.9802 9.4160 120.6279 54.2229 42.6460 176.5044 101 H 4.1815 8.9153 116.3824 57.2634 27.2338 174.9748 102 C 5.2901 7.7077 116.9507 58.1802 31.4306 172.3120 *104 F 5.3950 8.3990 116.4436 58.0849 39.8602 175.8030 105 A 4.7506 9.1399 126.1386 50.5704 20.5419 174.7801 106 P 4.6549 0.0000 0.0000 64.1457 31.6320 177.7694 107 G 4.3889 9.3899 109.7768 45.0179 0.0000 173.2573 108 V 4.0191 7.3813 120.4168 63.0083 32.6929 174.5443 109 H 5.3442 8.9485 124.5909 53.9822 31.8295 172.7898 110 I 4.5578 8.4845 124.0004 59.7343 39.5286 174.0168 111 Y 5.2685 8.6187 125.8757 56.6782 39.7747 176.5235 112 T 4.6247 8.8448 113.1319 61.9504 71.2620 174.4028 113 A 4.4636 8.0499 124.0721 52.3565 19.4620 176.4002 114 T 4.4087 8.4700 114.9744 61.7114 71.4611 171.6205 115 H 4.8877 8.1968 117.5426 53.2773 32.9524 172.2668 116 P 4.5562 0.0000 0.0000 62.8814 31.7304 177.1907 117 L 4.1313 8.4740 121.0215 57.1939 42.1626 177.6873 118 H 4.7407 7.9211 116.3133 53.8460 30.8995 174.1049 119 P 4.2221 0.0000 0.0000 65.6764 31.1094 179.1540 120 V 3.5739 7.6846 115.0724 66.1374 31.9601 177.4263 121 E 4.1115 8.1229 117.7789 59.4742 29.1789 179.1784 122 R 4.0034 8.0911 117.8047 59.0936 30.1856 177.3130 123 N 4.7666 8.1305 114.1425 53.1889 38.8008 175.7276 124 S 4.2984 7.7799 114.3610 58.4712 63.6020 175.2859 125 G 3.9334 8.3135 109.8726 45.4927 0.0000 173.0018 126 K 4.8192 7.3781 117.8554 54.4862 34.9113 175.1445 127 E 4.7937 7.8698 118.5233 56.2327 32.8918 172.4911 128 Y 5.1368 8.0507 116.7643 56.8538 41.8475 173.2805 129 G 4.5395 8.7907 105.2145 45.0804 0.0000 171.5213 130 K 5.0540 8.7804 118.8280 53.5115 35.5022 175.4002 131 P 4.6384 0.0000 0.0000 63.0530 32.8918 175.0466 132 V 4.6984 8.5911 120.3831 61.0331 34.7981 174.1269 133 K 5.0657 8.8566 127.7228 54.7113 35.5756 174.6761 134 I 4.9305 9.1773 127.6720 59.6673 40.7052 175.9072 135 G 4.2650 8.8093 116.5546 46.4145 0.0000 172.2494 136 N 5.0789 9.5011 118.6521 52.7616 40.4633 175.2760 137 N 4.6424 9.1198 116.2710 53.3830 37.0449 173.9567 138 V 4.5093 7.8468 117.6948 62.2198 33.3322 174.1799 139 W 5.1347 8.9869 135.0000 55.9736 32.5661 174.4464 140 V 4.3042 8.7898 128.5520 61.3578 32.5243 175.8141 141 G 4.0193 8.7485 116.2164 45.0065 0.0000 172.9093 142 G 3.8459 8.6162 109.1116 46.8596 0.0000 174.8782 143 G 3.8535 9.0174 111.5142 44.6474 0.0000 173.7253 144 A 4.3445 7.5066 121.8004 51.9309 20.0238 176.7931 145 I 4.6459 8.5536 120.6876 59.4880 40.4050 174.7510 146 I 4.5341 8.3453 128.7565 59.6613 38.4727 175.5331 147 N 5.1215 8.7559 125.2140 51.5436 40.3281 173.3600 148 P 4.4991 0.0000 0.0000 63.6654 31.8038 177.5501 149 G 4.0512 8.8941 109.7957 44.2716 0.0000 173.6956 150 V 4.0843 7.3563 120.1323 62.7622 33.0095 174.8484 151 S 5.3602 9.1977 122.8722 56.8049 66.1573 172.9415 152 I 4.8392 8.8036 125.0726 59.4243 39.4530 176.1396 153 G 4.3391 9.0799 115.1106 45.2044 0.0000 172.5747 154 D 4.6931 9.0541 119.7246 55.6045 41.1608 177.2692 155 N 4.5881 9.5489 117.9465 53.2317 37.3389 174.5349 156 A 4.4782 7.5425 119.7897 51.9552 20.0944 177.2313 157 V 4.7508 8.8620 120.5609 61.1563 34.6189 174.3424 158 I 4.6956 8.4618 129.2726 59.4057 38.8777 175.4818 159 A 4.2244 8.7415 130.1655 51.2347 19.6146 176.9806 160 S 4.1458 8.3495 114.5478 59.8514 63.3291 175.2688 161 G 3.8349 8.9977 111.1408 45.3900 0.0000 173.6384 162 A 4.2343 7.6182 122.0320 51.8584 19.9832 177.1942 163 V 4.4037 8.5724 121.5220 61.2449 33.7351 174.9062 164 V 4.4790 9.0402 130.6003 62.0924 31.8037 176.2118 165 T 4.5001 8.6865 117.6879 61.4630 70.3459 173.9258 166 K 4.7990 7.5682 119.5981 54.0514 36.4042 175.6504 167 D 4.6773 8.8081 120.9911 55.1914 41.7072 176.2971 168 V 4.3810 8.7221 122.0036 60.4690 33.7371 173.7049 169 P 4.8281 0.0000 0.0000 61.9639 31.6542 175.7735 170 N 4.4899 8.8237 117.9914 54.2995 40.0425 174.7751 171 N 4.3901 9.1023 116.5236 54.8336 37.0895 174.2394 172 V 4.9277 7.1988 108.9483 59.6110 36.7044 175.1599 173 V 4.7521 8.6587 122.5584 61.5743 33.2794 175.0636 174 V 4.9120 8.4673 120.6998 59.8846 34.9993 174.8707 175 G 4.2330 9.0446 109.2805 45.8253 0.0000 172.7780 176 G 4.1290 9.3371 106.3546 44.3825 0.0000 171.8362 177 N 5.1430 8.0256 115.8990 51.0882 40.5645 172.1186 178 P 4.7902 0.0000 0.0000 61.6519 32.6898 176.3465 179 A 4.4778 8.4953 124.7650 52.1176 18.9917 177.2561 180 K 4.6717 9.0398 120.5119 54.4651 36.7133 175.8838 181 V 4.1867 8.5255 121.9139 63.5853 31.6272 175.4890 182 I 4.4832 8.5539 120.2784 59.8414 38.6468 175.2982 183 K 4.3027 7.4367 122.2816 56.6307 35.0993 173.0459 184 T 4.9316 8.6903 122.7698 62.1954 70.5025 174.0256 185 I 4.3508 8.5905 127.1668 59.6735 38.5550 175.4556 186 E 4.1137 8.7512 127.8620 57.0723 29.8031 176.7218 187 E 4.1610 8.8843 122.7241 56.6101 28.9408 174.5970 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 K 8.30 4.40 0.00 1.77 1.83 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.44 7.81 3 T 8.64 4.12 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 1.21 0.00 0.00 4 E 8.83 4.05 0.00 2.27 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 0.00 2.37 2.40 0.00 5 K 7.94 3.91 0.00 1.70 1.79 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.31 1.39 7.81 6 D 8.03 4.52 0.00 2.98 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 7 K 7.85 4.09 0.00 2.11 1.92 0.00 1.93 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.64 1.62 7.81 *9 L 7.94 4.09 0.00 1.60 1.73 0.85 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 10 A 7.71 4.09 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 11 G 8.35 4.13 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 0.00 12 E 8.71 4.09 0.00 2.04 1.75 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 2.28 2.26 0.00 *14 Y 8.83 4.71 0.00 3.18 3.15 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 15 I 9.30 4.45 1.95 0.00 0.00 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 1.17 0.87 0.97 0.00 0.00 16 A 8.40 4.28 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 D 7.91 4.88 0.00 2.70 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 18 D 8.02 4.45 0.00 2.92 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 19 E 8.97 3.97 0.00 2.08 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 2.43 2.41 0.00 20 E 8.28 3.99 0.00 2.06 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 0.00 2.44 2.43 0.00 21 L 8.00 4.25 0.00 1.99 1.99 1.06 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 22 V 8.21 3.59 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 1.12 0.00 0.00 1.03 0.00 0.00 23 A 8.00 4.03 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 24 D 8.36 4.48 0.00 3.32 3.17 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 25 R 8.21 3.86 0.00 1.87 1.77 0.00 2.83 0.00 0.00 2.99 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 1.41 0.00 26 V 8.11 3.64 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 0.82 0.00 0.00 0.96 0.00 0.00 27 E 8.38 3.93 0.00 2.13 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 2.35 2.36 0.00 28 A 8.25 3.99 1.36 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 0.00 0.00 29 K 8.05 3.90 0.00 1.94 1.84 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.39 7.81 30 R 7.96 3.92 0.00 2.01 1.99 0.00 3.14 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 31 L 8.11 4.02 0.00 1.80 1.70 0.99 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 32 T 8.36 4.01 4.42 0.00 0.00 0.00 0.00 0.00 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 33 R 8.17 3.92 0.00 1.90 2.11 0.00 3.10 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 34 L 7.78 4.01 0.00 1.96 1.76 0.93 1.11 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 35 Y 8.40 4.00 0.00 3.05 3.22 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 36 N 8.59 4.12 0.00 2.79 3.03 0.00 0.00 6.72 7.33 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 37 E 8.23 3.82 0.00 2.19 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 2.29 2.46 0.00 38 A 7.95 3.88 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 39 V 7.43 3.29 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 0.54 0.00 0.00 0.77 0.00 0.00 40 E 8.16 3.97 0.00 2.04 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 0.00 2.36 2.51 0.00 41 T 7.92 4.30 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 1.28 0.00 0.00 42 G 7.55 3.74 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 D 8.07 4.55 0.00 2.71 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.74 4.11 0.00 2.18 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 2.46 2.59 0.00 45 R 8.87 4.27 0.00 2.14 1.97 0.00 3.27 0.00 0.00 3.26 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 46 R 7.92 3.91 0.00 1.72 1.95 0.00 2.36 0.00 0.00 2.92 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.57 0.00 47 F 7.67 4.33 0.00 3.22 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 48 T 8.01 3.95 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 1.26 0.00 0.00 49 L 8.11 4.20 0.00 2.07 1.88 0.96 0.51 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 50 L 8.34 3.70 0.00 1.61 1.78 0.12 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 51 N 8.57 4.39 0.00 2.81 2.87 0.00 0.00 6.99 8.18 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 52 Q 7.75 4.21 0.00 2.25 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.91 0.00 0.00 0.00 0.00 0.00 2.64 2.54 0.00 53 L 7.53 4.22 0.00 1.72 1.73 0.95 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 54 L 7.77 4.30 0.00 1.60 1.49 0.75 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 55 G 8.76 3.92 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 0.00 56 S 7.44 4.91 0.00 3.87 3.96 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 57 S 8.41 5.66 0.00 3.83 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 58 A 8.91 4.18 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 59 D 7.56 4.63 0.00 2.75 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 60 G 8.22 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 61 K 8.33 4.24 0.00 1.53 1.59 0.00 0.84 0.00 0.00 1.41 0.00 0.00 2.66 0.00 0.00 2.57 0.00 0.00 0.00 0.00 1.06 0.74 7.81 62 A 8.38 4.21 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 63 Q 9.41 4.52 0.00 2.24 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.68 0.00 0.00 0.00 0.00 0.00 2.33 2.43 0.00 64 I 7.71 4.55 1.65 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.65 0.51 0.00 0.00 65 N 8.65 4.65 0.00 2.29 2.35 0.00 0.00 7.10 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 66 P 0.00 4.91 0.00 2.20 2.20 0.00 3.83 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.09 0.00 67 D 8.60 5.14 0.00 2.69 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 68 F 9.67 4.93 0.00 3.06 3.24 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 69 R 7.87 4.59 0.00 1.51 1.55 0.00 3.27 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.63 0.00 70 C 7.85 5.44 0.00 2.85 2.43 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 71 D 8.86 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0.00 0.00 0.00 0.00 0.00 0.00 88 C 8.04 5.04 0.00 3.23 3.18 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 89 V 8.56 4.63 1.60 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 0.97 0.00 0.00 0.82 0.00 0.00 90 I 8.53 4.82 1.96 0.00 0.00 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 1.44 1.20 0.99 0.00 0.00 91 L 9.09 4.73 0.00 1.73 1.70 0.84 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 92 D 7.91 5.02 0.00 2.79 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 93 V 7.74 3.73 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 0.96 0.00 0.00 1.02 0.00 0.00 94 C 7.69 4.80 0.00 2.88 2.87 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 95 E 8.67 4.25 0.00 1.95 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 2.45 2.33 0.00 96 V 9.11 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2.41 2.43 0.00 122 R 8.09 4.00 0.00 2.07 2.09 0.00 3.14 0.00 0.00 3.36 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 123 N 8.13 4.77 0.00 2.78 2.81 0.00 0.00 7.06 8.20 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 0.00 124 S 7.78 4.30 0.00 4.01 4.13 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 0.00 125 G 8.31 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 0.00 0.00 0.00 126 K 7.38 4.82 0.00 1.69 1.62 0.00 1.68 0.00 0.00 1.76 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.32 1.31 7.81 127 E 7.87 4.79 0.00 1.84 1.76 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 1.66 1.70 0.00 128 Y 8.05 5.14 0.00 3.15 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 0.00 129 G 8.79 4.54 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 0.00 0.00 0.00 130 K 8.78 5.05 0.00 1.72 1.73 0.00 1.78 0.00 0.00 1.84 0.00 0.00 3.01 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.52 1.45 7.81 131 P 0.00 4.64 0.00 2.14 2.21 0.00 3.68 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 2.10 2.00 0.00 132 V 8.59 4.70 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 1.05 0.00 0.00 1.00 0.00 0.00 133 K 8.86 5.07 0.00 1.88 1.61 0.00 1.64 0.00 0.00 1.67 0.00 0.00 2.88 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.40 7.81 134 I 9.18 4.93 2.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.65 1.09 0.00 0.00 135 G 8.81 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 0.00 0.00 0.00 0.00 136 N 9.50 5.08 0.00 2.66 2.79 0.00 0.00 7.47 6.84 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 0.00 137 N 9.12 4.64 0.00 3.05 2.93 0.00 0.00 6.54 7.62 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 0.00 138 V 7.85 4.51 2.28 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 1.13 0.00 0.00 1.10 0.00 0.00 139 W 8.99 5.13 0.00 3.45 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 0.00 140 V 8.79 4.30 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 0.73 0.00 0.00 0.88 0.00 0.00 141 G 8.75 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 0.00 142 G 8.62 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 0.00 0.00 0.00 143 G 9.02 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 0.00 0.00 0.00 144 A 7.51 4.34 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 0.00 145 I 8.55 4.65 1.83 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.72 0.86 0.00 0.00 146 I 8.35 4.53 1.74 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 1.00 0.95 0.88 0.00 0.00 147 N 8.76 5.12 0.00 2.85 2.79 0.00 0.00 6.60 7.73 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 0.00 148 P 0.00 4.50 0.00 2.05 2.17 0.00 3.81 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.22 0.00 149 G 8.89 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 0.00 0.00 0.00 150 V 7.36 4.08 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 0.93 0.00 0.00 0.99 0.00 0.00 151 S 9.20 5.36 0.00 3.81 3.73 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 0.00 152 I 8.80 4.84 1.92 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 1.17 0.73 0.95 0.00 0.00 153 G 9.08 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 0.00 0.00 0.00 0.00 154 D 9.05 4.69 0.00 2.79 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 N 9.55 4.59 0.00 3.01 2.97 0.00 0.00 6.93 7.37 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 0.00 156 A 7.54 4.48 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 0.00 157 V 8.86 4.75 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 0.50 0.00 0.00 1.13 0.00 0.00 158 I 8.46 4.70 1.71 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 1.10 0.81 0.79 0.00 0.00 159 A 8.74 4.22 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 0.00 160 S 8.35 4.15 0.00 4.09 3.86 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 0.00 161 G 9.00 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 0.00 0.00 0.00 162 A 7.62 4.23 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 0.00 163 V 8.57 4.40 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 0.94 0.00 0.00 1.03 0.00 0.00 164 V 9.04 4.48 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 0.92 0.00 0.00 0.87 0.00 0.00 165 T 8.69 4.50 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 1.27 0.00 0.00 166 K 7.57 4.80 0.00 1.60 1.71 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.34 1.44 7.81 167 D 8.81 4.68 0.00 2.57 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 V 8.72 4.38 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 1.05 0.00 0.00 0.97 0.00 0.00 169 P 0.00 4.83 0.00 1.98 1.99 0.00 3.75 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 170 N 8.82 4.49 0.00 2.66 2.78 0.00 0.00 6.87 6.92 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 0.00 171 N 9.10 4.39 0.00 2.89 3.09 0.00 0.00 6.89 8.13 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 0.00 172 V 7.20 4.93 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 0.78 0.00 0.00 0.99 0.00 0.00 173 V 8.66 4.75 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 0.80 0.00 0.00 0.92 0.00 0.00 174 V 8.47 4.91 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 0.69 0.00 0.00 0.88 0.00 0.00 175 G 9.04 4.23 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 0.00 176 G 9.34 4.13 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 0.00 177 N 8.03 5.14 0.00 2.67 2.69 0.00 0.00 6.96 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 0.00 178 P 0.00 4.79 0.00 1.97 1.95 0.00 3.73 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 2.02 2.09 0.00 179 A 8.50 4.48 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 0.00 180 K 9.04 4.67 0.00 1.75 1.85 0.00 1.31 0.00 0.00 1.56 0.00 0.00 2.76 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.53 7.81 181 V 8.53 4.19 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 0.84 0.00 0.00 0.93 0.00 0.00 182 I 8.55 4.48 1.85 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.82 0.92 0.00 0.00 183 K 7.44 4.30 0.00 1.81 1.63 0.00 1.70 0.00 0.00 1.83 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.25 1.29 7.81 184 T 8.69 4.93 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 1.27 0.00 0.00 185 I 8.59 4.35 1.90 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.57 0.95 0.00 0.00 186 E 8.75 4.11 0.00 1.95 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 2.40 0.00 187 E 8.88 4.16 0.00 2.11 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 2.18 2.28 0.00 * Residues marked with a * may have inaccurate shift predictions.