NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.4688 8.1733 120.0836 56.4031 34.1882 174.0555 3 I 4.5794 8.9216 127.5258 59.2854 39.2301 173.2722 4 I 4.8028 9.8234 130.4305 59.6404 40.0696 174.3756 5 I 4.8398 8.8313 129.0866 59.9081 38.8434 174.9951 6 T 5.3614 9.5952 121.0200 58.4729 71.5919 172.7251 7 G 4.1706 8.4360 111.8808 43.8345 0.0000 172.1406 8 E 4.1373 7.9674 119.0376 55.2097 30.0153 175.2608 9 P 4.3927 0.0000 0.0000 64.5605 31.6846 177.1825 10 G 4.0415 8.9837 111.2315 45.2779 0.0000 174.6891 11 V 3.6752 7.3905 118.6406 63.1514 31.7731 176.6341 12 G 4.1925 8.4519 110.6683 45.8543 0.0000 176.1899 13 K 3.9283 8.6169 121.3286 59.5362 32.0337 178.9606 14 T 3.9814 7.9176 115.3875 66.9681 68.4462 176.5103 15 T 3.7667 7.8804 117.0641 66.5438 68.4598 176.1745 16 L 3.8484 8.0453 122.1751 58.1314 42.0651 178.9635 17 V 3.4954 7.9147 118.3942 66.1153 31.3444 178.1128 18 K 3.2438 8.0569 118.3609 59.1057 31.7776 179.4858 19 K 3.8835 7.8346 118.7183 59.3726 31.8469 179.4757 20 I 3.6537 7.8248 120.1854 64.2780 37.0555 178.5416 21 V 3.5394 7.8793 119.3888 66.0171 31.0947 177.6730 22 E 3.8969 7.9460 117.6828 59.3964 29.5634 178.6558 23 R 4.0546 7.7765 116.9461 59.2713 30.4570 178.7964 24 L 4.1538 8.4835 118.7380 55.1165 42.0915 178.4290 25 G 3.7665 8.5541 107.7313 46.6812 0.0000 176.7601 26 K 4.2807 8.7503 123.6104 57.8375 32.2978 178.0534 27 R 3.9914 8.1251 118.7141 58.1572 30.2809 176.2017 28 A 4.9771 7.7243 121.2832 50.9224 19.7775 176.6169 29 I 4.7576 9.6829 123.6624 58.1902 41.6837 174.5593 30 G 4.2940 7.5516 113.8081 45.5357 0.0000 171.4859 31 F 5.3485 8.2379 119.3344 55.5061 41.8486 173.2534 32 W 6.0143 8.7340 116.4077 54.1196 32.3252 173.8140 33 T 5.3180 9.3915 115.9405 62.1231 70.6536 173.8004 34 E 4.9960 9.3907 126.5318 54.2904 32.5477 175.6686 35 E 4.1003 8.8510 122.4262 56.5106 30.6390 176.4395 36 V 4.1595 8.4669 124.1088 61.6391 32.8809 175.1635 37 R 4.6418 8.2690 126.0315 54.1391 33.7382 174.7565 *44 R 4.1964 8.3876 120.3352 56.5778 30.9710 174.9641 45 T 4.3271 8.3116 113.5307 61.0419 71.0767 173.6335 46 G 3.7782 6.8490 106.8946 46.5793 0.0000 171.7686 47 F 5.2430 8.3309 117.6264 55.6406 43.6777 174.0040 48 R 5.1713 9.2267 123.0940 54.5125 32.9823 174.2608 49 I 4.6752 9.0941 127.1771 60.7902 39.6096 174.3814 50 I 4.8541 8.5112 129.8401 59.6037 40.4060 175.5068 51 T 4.7804 8.5018 118.2793 60.4638 70.6822 175.8994 52 T 4.2569 8.7610 111.6992 63.5315 68.7292 174.8019 53 E 4.3710 8.1035 121.1742 56.0738 29.7583 176.7777 54 G 3.9196 8.1794 107.1624 45.3178 0.0000 173.9838 55 K 4.2854 7.5553 119.4018 55.9745 33.3401 176.1642 56 K 5.5361 8.2453 122.1326 53.7514 36.3027 175.6938 57 K 4.5144 8.2418 122.7798 55.2656 35.8617 174.4519 58 I 4.6153 8.6702 129.0077 61.6040 37.3707 175.5964 59 F 5.4773 9.2376 121.5795 56.8372 40.0683 175.0433 60 S 5.2080 7.3860 114.5810 57.0272 65.7950 172.2821 61 S 4.9129 8.8724 119.8421 56.8491 65.3657 175.2120 62 K 4.1028 8.6510 125.5473 58.5687 31.7265 178.2281 63 F 4.6186 7.8801 117.1928 58.5774 39.5142 175.7184 64 F 4.8842 7.8582 120.9490 56.9205 39.4820 174.8299 65 T 4.3732 8.5589 123.1048 63.3287 68.9444 173.9343 66 S 4.5369 8.0837 119.0608 56.9690 65.2044 174.0218 67 K 3.9472 8.4680 125.7618 57.8683 32.4761 176.8009 68 K 3.7800 7.8715 119.0278 54.6827 31.7177 175.1804 69 L 5.1445 8.1049 123.4705 52.6452 44.8127 176.8406 70 V 4.3736 8.5945 122.2494 61.5510 33.7010 176.7531 71 G 3.8571 8.3730 119.6228 47.0938 0.0000 173.8590 72 S 4.3345 8.6243 120.6229 58.3058 63.6483 172.4346 73 Y 4.5750 8.0978 121.3301 57.2890 39.1437 174.7423 74 G 4.4787 9.0813 112.8510 44.8124 0.0000 172.3596 75 V 4.8553 8.6560 126.1131 61.4254 33.2477 174.8590 76 N 4.4925 9.5209 128.1548 52.1671 38.8781 175.4030 77 V 3.7441 8.3714 126.9421 66.1036 31.7021 177.6017 78 Q 4.0327 8.0439 117.2948 59.1989 27.0907 178.1356 79 Y 4.3779 8.5761 118.0220 60.9776 37.8077 178.3880 80 F 3.8778 8.4693 121.5790 61.4263 39.5289 177.1260 81 E 3.5960 8.5138 118.4480 59.0877 28.9467 178.6937 82 E 3.8567 7.9869 118.7799 58.9728 29.6833 178.1295 83 L 4.2372 7.0028 115.9078 56.3125 42.6407 178.8022 84 A 3.3948 7.2765 120.9176 54.7737 17.9875 179.8661 85 I 3.6503 7.4352 118.5153 63.9994 37.2938 176.9459 86 P 4.2330 0.0000 0.0000 65.9431 31.0515 178.2304 87 I 3.7556 7.4420 117.0350 63.7157 37.7982 177.9166 88 L 4.1311 8.1134 120.1057 57.6014 41.4846 179.2078 89 E 4.0642 8.6154 119.1059 59.2949 29.3111 179.3172 90 R 3.8807 8.2073 118.4863 59.4233 30.1348 178.2576 91 A 4.0300 8.3552 120.9170 55.4623 18.3613 179.0447 92 Y 4.2897 8.3972 118.0439 60.9402 38.7525 178.1966 93 R 3.7315 8.0965 118.9670 59.4274 30.2274 179.0013 94 E 3.8945 8.5260 118.3189 59.3545 29.2596 179.3105 95 A 4.2528 8.2470 120.1504 54.8650 18.4698 179.5488 96 K 4.0334 7.7914 116.6538 59.1265 32.1100 179.0071 97 K 4.4765 7.4373 117.2429 56.4660 32.7686 176.0203 98 D 4.7049 7.9792 118.1996 52.1600 42.2027 176.1056 99 R 4.2123 8.5106 125.5097 57.7951 30.3192 178.4196 100 R 4.1051 8.2723 117.2873 58.4636 30.3809 177.3519 101 K 4.5018 7.8239 117.0267 56.2296 33.1457 176.9959 102 V 4.5602 8.9357 123.0371 61.1429 34.6188 174.6430 103 I 4.5401 8.8851 129.7122 61.2408 38.6484 174.9179 104 I 4.8283 8.7277 127.3630 59.7438 39.9568 174.8584 105 I 4.1223 8.8321 127.6556 59.1838 40.2420 173.0238 106 D 4.9161 8.5925 126.5432 52.2546 43.5142 173.9249 107 E 5.3155 9.0161 125.8939 53.3335 33.0711 176.1097 108 I 4.5022 8.6995 127.5112 60.3376 35.6578 174.6183 109 G 4.1418 8.6246 112.9766 42.8815 0.0000 171.3529 110 K 3.8001 8.3463 116.5233 57.0185 31.9734 177.9684 *112 E 3.2323 8.2532 118.7339 55.4854 31.0259 177.5771 113 L 4.4050 7.7081 116.0726 55.9474 41.7309 178.0559 114 F 4.3236 7.3152 118.1002 59.5149 39.1425 175.7170 115 S 4.6113 8.1471 116.5113 56.9353 62.9977 174.2723 116 K 3.9905 8.7502 130.6253 59.6197 32.1525 178.5629 117 K 3.9641 8.1841 118.3035 59.4796 31.9705 178.9039 118 F 4.3220 8.6712 120.9221 61.3962 39.3754 177.1978 119 R 3.7662 8.3576 117.9255 59.5367 29.9073 178.8351 120 D 4.2951 8.2825 118.5311 57.2668 40.7554 178.6612 121 L 3.8577 7.9379 120.8886 57.8970 41.8508 179.0094 122 V 3.2738 7.5333 117.6996 66.0188 31.4344 177.8512 123 R 4.0145 7.6853 116.4379 59.2032 29.9639 178.5151 124 Q 4.1205 7.6787 118.1295 59.1666 29.4011 179.0815 125 I 3.3559 7.2921 117.9023 62.0497 36.6370 177.1353 *127 H 4.5755 7.9865 115.2205 55.1188 30.6614 172.6833 128 D 4.6921 7.8357 121.3706 52.2308 40.8597 175.2578 129 P 4.4021 0.0000 0.0000 65.3662 31.4636 176.7319 130 N 4.8161 8.7303 115.7555 53.0987 38.5234 175.0369 131 V 4.5811 7.2387 110.1787 59.5404 35.5054 174.6756 132 N 4.9256 8.4932 119.8317 52.4835 40.6367 174.3074 133 V 4.8929 8.1536 121.0794 61.3240 35.7932 173.5123 134 V 4.9107 8.9988 127.1355 61.1722 33.7413 174.1770 135 A 5.3164 9.2105 129.2448 50.4149 23.2479 174.4615 136 T 5.2642 8.5707 109.5061 59.9498 72.0936 173.2167 137 I 5.2139 8.4903 115.7855 58.3629 41.4289 173.1275 138 P 4.6368 0.0000 0.0000 62.6671 31.8086 176.3947 139 I 3.9191 8.0936 118.1007 62.1537 38.2965 175.9368 140 R 4.6618 7.5856 117.9689 54.6687 32.0824 176.4930 141 D 4.6747 8.1496 121.2466 53.7938 39.1436 177.5677 142 V 3.7260 7.6288 112.7034 62.7142 32.8430 175.9633 143 H 4.7298 7.6315 118.6684 53.0252 33.1689 172.4228 144 P 4.2740 0.0000 0.0000 65.6892 31.0650 178.7811 145 L 4.0194 8.2014 118.7561 57.7501 41.9409 178.9669 146 V 3.5665 7.7195 118.0978 65.7842 31.5629 177.8703 147 K 4.0023 8.0016 118.8607 59.4627 31.8657 178.0143 148 E 3.9291 8.0407 118.4070 59.5748 29.8640 178.6727 149 I 3.8470 7.9181 119.7514 64.2005 36.9319 178.2581 150 R 3.9630 8.1475 119.3804 58.7663 29.8588 177.7182 151 R 4.6107 7.4224 113.0063 54.6196 29.9805 175.7178 152 L 3.9012 7.4648 122.5815 55.0526 42.2133 174.8268 153 P 4.2743 0.0000 0.0000 64.1345 31.7043 177.1015 154 G 3.9197 8.9130 110.0218 45.3443 0.0000 173.5445 155 A 4.3488 7.3119 120.9616 51.7744 19.7402 177.2181 156 V 4.0416 8.7820 120.4793 61.6526 32.9586 174.5217 157 L 5.0745 8.5275 130.4947 53.4688 43.7315 175.2174 158 I 4.4285 8.8004 127.8454 59.4541 40.0367 174.4616 159 E 4.7086 8.7928 129.0183 54.7658 29.7752 175.0580 160 L 4.5369 8.8921 131.1433 54.9866 43.0155 176.0957 161 T 4.7900 9.4410 115.4326 59.0090 72.1147 173.0490 162 P 4.3110 0.0000 0.0000 65.2582 31.3547 177.7127 163 E 4.2995 8.1041 116.0650 57.1181 30.1126 176.3748 164 N 4.9000 7.7393 114.6785 52.1106 38.9243 176.4329 165 R 3.7976 7.9026 120.0253 59.7002 30.0171 176.5801 166 D 4.7486 7.9767 113.4325 54.4712 41.2492 177.5779 167 V 4.3224 7.3744 118.5992 61.9584 33.2818 177.3525 168 I 3.8282 7.9079 119.3224 63.3228 37.6233 177.2513 169 L 3.9196 7.9829 121.2798 58.5323 41.7101 178.8002 170 E 3.9529 7.7095 118.4316 59.2128 29.4155 178.9607 171 D 4.3531 8.0814 118.5940 57.4743 40.9767 178.7644 172 I 3.6855 7.5535 119.5289 64.5712 36.9542 178.6392 173 L 4.0289 7.9331 118.4917 57.6318 41.4318 179.2583 174 S 4.2286 8.1221 112.7680 61.3780 62.4264 175.8814 175 L 4.1350 7.5412 120.0343 56.8702 41.6117 178.0614 176 L 4.2571 7.1674 117.0668 53.8646 42.3322 176.4605 177 E 4.1041 8.3876 121.2970 55.8976 30.3080 177.0225 178 R 4.1051 8.5398 122.4562 56.7517 30.0677 176.6098 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 8.17 4.47 0.00 1.68 1.80 0.00 1.58 0.00 0.00 1.80 0.00 0.00 2.83 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 1.40 7.81 3 I 8.92 4.58 1.86 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 1.22 0.42 0.90 0.00 0.00 4 I 9.82 4.80 1.86 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.75 0.90 0.00 0.00 5 I 8.83 4.84 1.87 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 1.10 0.93 0.91 0.00 0.00 6 T 9.60 5.36 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 7 G 8.44 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 0.00 0.00 0.00 0.00 8 E 7.97 4.14 0.00 2.02 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 2.40 2.28 0.00 9 P 0.00 4.39 0.00 2.06 2.03 0.00 3.70 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 2.05 2.11 0.00 10 G 8.98 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 0.00 0.00 0.00 11 V 7.39 3.68 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 0.78 0.00 0.00 0.98 0.00 0.00 12 G 8.45 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 13 K 8.62 3.93 0.00 1.84 1.89 0.00 1.83 0.00 0.00 1.80 0.00 0.00 3.11 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.53 1.54 7.81 14 T 7.92 3.98 4.31 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 1.46 0.00 0.00 15 T 7.88 3.77 4.39 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 1.17 0.00 0.00 16 L 8.05 3.85 0.00 1.72 1.80 0.89 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 17 V 7.91 3.50 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 1.04 0.00 0.00 0.99 0.00 0.00 18 K 8.06 3.24 0.00 1.64 1.41 0.00 1.50 0.00 0.00 1.42 0.00 0.00 2.78 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.30 0.65 7.81 19 K 7.83 3.88 0.00 1.94 1.80 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.55 7.81 20 I 7.82 3.65 1.96 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.75 0.88 0.00 0.00 21 V 7.88 3.54 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 1.07 0.00 0.00 0.97 0.00 0.00 22 E 7.95 3.90 0.00 1.93 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 2.30 2.34 0.00 23 R 7.78 4.05 0.00 1.94 1.96 0.00 3.36 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.79 0.00 24 L 8.48 4.15 0.00 1.72 1.72 0.92 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.55 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 0.00 0.00 0.00 26 K 8.75 4.28 0.00 1.78 1.90 0.00 1.77 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.48 7.81 27 R 8.13 3.99 0.00 2.05 2.11 0.00 3.12 0.00 0.00 3.18 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.59 0.00 28 A 7.72 4.98 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 29 I 9.68 4.76 1.92 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 1.27 0.76 0.96 0.00 0.00 30 G 7.55 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 0.00 0.00 0.00 0.00 31 F 8.24 5.35 0.00 3.08 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 32 W 8.73 6.01 0.00 3.65 3.36 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 33 T 9.39 5.32 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 34 E 9.39 5.00 0.00 2.04 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.74 0.00 35 E 8.85 4.10 0.00 1.78 1.65 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 2.24 2.37 0.00 36 V 8.47 4.16 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 1.00 0.00 0.00 0.88 0.00 0.00 37 R 8.27 4.64 0.00 1.75 1.73 0.00 3.27 0.00 0.00 3.13 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.49 0.00 *44 R 8.39 4.20 0.00 1.71 1.85 0.00 2.39 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.44 0.00 45 T 8.31 4.33 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 1.09 0.00 0.00 46 G 6.85 3.78 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 0.00 0.00 0.00 47 F 8.33 5.24 0.00 2.33 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 48 R 9.23 5.17 0.00 1.85 1.81 0.00 3.11 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.68 0.00 49 I 9.09 4.68 1.72 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 0.90 0.94 0.89 0.00 0.00 50 I 8.51 4.85 0.74 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.57 0.46 0.00 0.00 51 T 8.50 4.78 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 1.08 0.00 0.00 52 T 8.76 4.26 4.37 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 1.60 0.00 0.00 53 E 8.10 4.37 0.00 1.98 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 2.38 0.00 54 G 8.18 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 55 K 7.56 4.29 0.00 1.60 1.66 0.00 1.59 0.00 0.00 1.78 0.00 0.00 2.84 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.48 1.36 7.81 56 K 8.25 5.54 0.00 1.55 1.63 0.00 1.84 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 65 T 8.56 4.37 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 1.21 0.00 0.00 66 S 8.08 4.54 0.00 3.76 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 67 K 8.47 3.95 0.00 1.69 1.73 0.00 1.78 0.00 0.00 1.69 0.00 0.00 2.76 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.43 7.81 68 K 7.87 3.78 0.00 1.32 0.74 0.00 1.39 0.00 0.00 1.30 0.00 0.00 2.77 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.08 1.13 7.81 69 L 8.10 5.14 0.00 1.62 1.58 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.59 4.37 2.20 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 1.03 0.00 0.00 1.12 0.00 0.00 71 G 8.37 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 0.00 0.00 0.00 72 S 8.62 4.33 0.00 3.76 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 73 Y 8.10 4.57 0.00 3.15 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 74 G 9.08 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.66 4.86 1.94 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 0.95 0.00 0.00 1.07 0.00 0.00 76 N 9.52 4.49 0.00 2.30 2.56 0.00 0.00 6.42 7.61 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 77 V 8.37 3.74 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 1.20 0.00 0.00 0.97 0.00 0.00 78 Q 8.04 4.03 0.00 2.29 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.68 0.00 0.00 0.00 0.00 0.00 2.43 2.52 0.00 79 Y 8.58 4.38 0.00 3.27 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 80 F 8.47 3.88 0.00 2.76 3.10 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 0.00 0.00 0.00 0.00 81 E 8.51 3.60 0.00 2.20 1.95 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 2.53 2.50 0.00 90 R 8.21 3.88 0.00 1.91 2.17 0.00 3.12 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 1.66 1.67 0.00 91 A 8.36 4.03 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.40 4.29 0.00 3.08 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 93 R 8.10 3.73 0.00 2.04 1.93 0.00 3.16 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.82 0.00 94 E 8.53 3.89 0.00 2.02 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 2.49 0.00 95 A 8.25 4.25 1.38 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 0.00 0.00 96 K 7.79 4.03 0.00 1.71 1.75 0.00 1.40 0.00 0.00 1.30 0.00 0.00 2.13 0.00 0.00 2.47 0.00 0.00 0.00 0.00 1.32 1.20 7.81 97 K 7.44 4.48 0.00 1.80 1.84 0.00 1.61 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.38 7.81 98 D 7.98 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4.89 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 0.83 0.00 0.00 0.91 0.00 0.00 134 V 9.00 4.91 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 0.96 0.00 0.00 0.92 0.00 0.00 135 A 9.21 5.32 1.16 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 0.00 136 T 8.57 5.26 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 1.22 0.00 0.00 137 I 8.49 5.21 1.87 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 1.28 0.81 0.91 0.00 0.00 138 P 0.00 4.64 0.00 2.18 2.08 0.00 3.78 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.92 0.00 139 I 8.09 3.92 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 1.43 1.29 0.91 0.00 0.00 140 R 7.59 4.66 0.00 1.82 1.81 0.00 3.25 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 141 D 8.15 4.67 0.00 2.70 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 0.00 142 V 7.63 3.73 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 0.70 0.00 0.00 0.90 0.00 0.00 143 H 7.63 4.73 0.00 2.91 3.02 0.00 5.60 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 0.00 144 P 0.00 4.27 0.00 2.13 2.05 0.00 3.04 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.06 0.00 145 L 8.20 4.02 0.00 1.81 1.68 0.89 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 146 V 7.72 3.57 2.25 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 1.07 0.00 0.00 0.97 0.00 0.00 147 K 8.00 4.00 0.00 1.85 1.92 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.50 1.70 7.81 148 E 8.04 3.93 0.00 2.11 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 0.00 2.38 2.40 0.00 149 I 7.92 3.85 1.85 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.89 0.87 0.00 0.00 150 R 8.15 3.96 0.00 1.90 2.10 0.00 3.24 0.00 0.00 3.27 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 151 R 7.42 4.61 0.00 2.03 1.99 0.00 3.13 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.62 0.00 152 L 7.46 3.90 0.00 1.85 1.63 0.82 0.77 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 0.00 153 P 0.00 4.27 0.00 2.09 1.98 0.00 3.79 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 154 G 8.91 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 0.00 155 A 7.31 4.35 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 0.00 156 V 8.78 4.04 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 0.71 0.00 0.00 0.92 0.00 0.00 157 L 8.53 5.07 0.00 1.64 1.53 0.91 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 158 I 8.80 4.43 1.86 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 1.11 0.67 0.90 0.00 0.00 159 E 8.79 4.71 0.00 1.97 1.88 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 2.24 2.29 0.00 160 L 8.89 4.54 0.00 1.63 1.63 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 161 T 9.44 4.79 4.36 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 1.21 0.00 0.00 162 P 0.00 4.31 0.00 2.06 2.16 0.00 3.67 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 2.03 2.11 0.00 163 E 8.10 4.30 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 2.35 0.00 164 N 7.74 4.90 0.00 2.84 3.00 0.00 0.00 6.39 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 R 7.90 3.80 0.00 2.04 2.02 0.00 3.29 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 166 D 7.98 4.75 0.00 2.69 2.67 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 0.00 167 V 7.37 4.32 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 0.95 0.00 0.00 0.92 0.00 0.00 168 I 7.91 3.83 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 1.40 1.18 0.98 0.00 0.00 169 L 7.98 3.92 0.00 1.77 1.65 0.89 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 170 E 7.71 3.95 0.00 2.12 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 2.32 2.48 0.00 171 D 8.08 4.35 0.00 2.82 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 0.00 172 I 7.55 3.69 2.02 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 1.51 1.01 0.90 0.00 0.00 173 L 7.93 4.03 0.00 1.59 1.72 0.90 1.19 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 0.00 174 S 8.12 4.23 0.00 3.89 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 0.00 175 L 7.54 4.13 0.00 1.85 1.71 0.96 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 176 L 7.17 4.26 0.00 1.78 1.60 0.91 0.70 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 0.00 177 E 8.39 4.10 0.00 1.93 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 2.29 2.33 0.00 178 R 8.54 4.11 0.00 1.84 1.84 0.00 3.45 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.58 0.00 * Residues marked with a * may have inaccurate shift predictions.