NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 G 3.7141 8.3549 109.7414 45.3108 0.0000 173.1420 17 I 3.6100 7.7233 119.0371 63.8221 37.1786 175.9239 18 T 3.8615 7.8015 116.3702 62.6597 69.8656 174.4939 19 G 3.6004 7.2663 112.5063 45.2456 0.0000 170.3692 20 T 4.6201 7.5120 117.2218 61.6235 69.9714 174.4091 21 W 4.9524 9.0019 126.3732 54.9516 33.3387 174.2743 22 Y 5.8508 9.5672 119.1664 55.4777 41.6351 175.5148 23 N 5.4391 9.0185 120.9684 50.6310 40.0901 175.4460 24 Q 4.1736 8.7740 115.7790 58.3829 28.6393 176.7746 25 L 4.5210 8.5205 117.7093 54.4211 41.9743 177.3835 26 G 4.0035 8.3332 107.6346 44.8545 0.0000 174.2247 27 A 4.4620 8.0683 121.5064 52.3556 20.1147 176.4030 28 T 4.6952 8.8817 117.2156 61.6179 71.6802 173.1328 29 F 4.6979 9.2306 129.7662 56.6125 41.4250 174.3886 30 I 4.5932 8.5327 129.5743 59.6216 38.2118 175.3371 31 V 4.6587 8.1065 126.8605 59.7430 34.9805 174.7435 32 T 4.6373 8.6142 118.7009 61.7039 71.6471 172.7626 33 A 4.5186 8.8287 129.6958 50.3671 19.7650 177.3915 34 G 3.8552 9.3381 112.1255 44.9351 0.0000 174.2424 35 A 4.1100 8.5644 122.7034 54.4324 18.4491 178.2892 36 D 4.5685 7.9460 113.1028 53.1661 40.1199 177.1189 37 G 3.5405 8.0678 108.1178 44.9329 0.0000 173.5345 38 A 4.7864 8.5001 122.0374 51.5551 20.2611 176.6008 39 L 5.3004 8.9362 120.1794 53.1622 44.8392 176.0254 40 T 4.9763 9.5017 113.0089 59.4799 72.7394 174.7639 41 G 3.7639 6.8140 108.6523 46.1915 0.0000 171.0766 42 T 5.2396 7.7884 109.9799 60.0753 72.6993 172.5582 43 Y 5.0514 9.4863 124.7720 55.8557 41.9257 173.6231 44 E 5.4595 9.3885 128.0044 54.6649 31.9466 176.4384 45 S 4.6651 9.4241 122.0918 60.4895 64.4219 173.4989 *49 N 4.4882 7.8504 116.6260 52.3019 38.4471 174.0560 50 A 3.9371 8.4110 119.1072 55.6456 18.5487 179.5682 51 E 2.5400 7.6429 114.5651 59.0053 29.7394 178.2460 52 S 4.8232 8.3687 113.0088 58.1063 64.3499 173.4827 53 R 5.1904 7.5638 120.6083 55.0457 31.5588 175.1213 54 Y 4.9849 9.1408 122.5090 55.9762 42.6143 174.9375 55 V 4.3641 8.6285 122.3567 62.9908 32.4615 175.0042 56 L 5.2724 8.8336 126.2735 54.6735 44.2631 174.9980 57 T 4.8036 8.5029 112.7299 61.7817 71.3701 173.2946 58 G 4.6889 8.7630 112.1050 46.5091 0.0000 172.1313 59 R 5.6256 8.7818 117.7852 55.1109 34.9448 174.0316 60 Y 5.2825 8.6759 118.6459 55.4015 41.7743 174.4674 61 D 4.2978 9.1091 121.0243 54.0830 40.8311 176.7891 62 S 4.3941 8.1989 120.6324 58.8898 63.9180 174.6931 63 A 4.6741 8.6326 123.9779 50.0324 18.8773 174.0454 64 P 4.7777 0.0000 0.0000 60.8991 32.5724 177.2468 65 A 4.2189 8.4220 122.3108 53.0498 18.7222 177.3632 66 T 4.6272 8.3749 108.2399 61.6167 69.1001 174.4232 67 D 4.7596 8.4479 118.6882 53.9323 39.5375 176.8066 68 G 3.9981 8.3719 106.8776 45.6766 0.0000 174.4451 69 S 4.3555 8.0579 115.5573 58.0937 63.5145 174.4772 70 G 4.0625 8.2923 109.8043 46.0653 0.0000 172.3120 71 T 4.8398 8.9137 116.8859 61.4712 70.4451 174.6883 72 A 4.8029 8.7275 129.2717 52.2686 19.8613 175.8524 73 L 5.0145 8.9568 120.1493 55.6767 44.5662 173.7863 74 G 5.1827 9.2203 105.4262 45.6272 0.0000 172.0838 75 W 5.8203 8.2559 117.3453 55.6451 32.3407 173.1160 76 T 5.2065 9.3020 116.4606 61.7574 71.8245 173.3905 77 V 4.6416 8.5817 124.9562 60.8836 34.3496 173.9198 78 A 4.4809 8.2956 129.7367 49.8900 19.7265 178.1601 79 W 4.1011 8.5680 127.2800 55.6365 28.1607 176.1460 80 K 5.2739 7.7197 118.4326 54.7175 33.9810 174.6105 81 N 4.9983 8.9788 121.3979 52.1879 39.8653 174.2390 82 N 4.5975 8.8674 114.4208 54.7788 38.8703 175.1458 83 Y 4.5286 8.7659 116.5990 58.7751 39.9916 175.8890 84 R 4.6747 7.7706 111.9950 55.1006 32.4738 173.5578 85 N 5.2643 8.5083 116.5259 52.3305 40.9315 173.6475 86 A 4.3177 9.1315 128.4581 51.6296 19.7051 176.3332 87 H 4.1801 8.7307 114.2562 56.2804 26.9407 173.2561 88 S 5.1947 7.4539 111.6306 57.8842 67.0937 174.3856 89 A 4.9438 8.9812 120.9833 51.0088 22.8815 175.2741 90 T 4.8071 8.6369 118.8710 61.7825 71.3379 173.6097 91 T 4.9199 8.5428 116.0034 59.6346 71.6503 172.8720 92 W 4.9846 8.6943 125.6528 54.8544 31.4095 174.8869 93 S 4.9663 8.7550 119.6763 56.8573 64.8410 172.9538 94 G 4.3188 8.8679 113.6531 46.6115 0.0000 171.6307 95 Q 5.3331 8.4388 117.8651 55.0085 32.6585 173.5725 96 Y 4.7406 9.4074 123.7894 57.2366 40.6695 174.2751 97 V 4.3527 8.1249 126.2457 60.7199 33.8308 175.2006 98 G 3.8616 8.3509 115.2861 45.5053 0.0000 172.4787 99 G 4.1235 8.5927 107.0069 44.0928 0.0000 172.0841 100 A 4.0421 8.4045 122.2360 54.6296 18.0947 177.4936 101 E 4.4531 7.8005 116.3831 53.5655 30.2846 174.5666 102 A 4.5443 8.3462 126.9123 52.1931 19.4169 176.3667 103 R 5.2755 8.9698 115.8108 55.2441 33.7734 174.0791 104 I 4.8102 8.8206 121.2724 59.9037 39.8826 174.3507 105 N 5.3436 8.8739 125.8627 52.0589 40.0286 174.6745 106 T 5.3018 8.9902 113.6292 60.0477 72.8776 172.8252 107 Q 4.9699 9.1000 121.6047 53.9515 32.3275 174.6975 108 W 5.4590 8.4859 118.2112 54.7035 32.4267 173.9388 109 L 5.1292 8.6151 120.4599 53.0592 44.7336 175.2469 110 L 4.9670 9.2029 127.2283 53.8681 43.8753 174.9503 111 T 5.0350 8.9406 124.2686 61.9870 70.8859 174.0633 112 S 5.0994 8.7297 122.7599 56.4835 65.3314 174.4060 113 G 3.8412 8.8203 111.1645 46.7591 0.0000 173.2331 114 T 4.7811 8.3449 114.7475 59.5003 72.4242 173.4697 115 T 4.0973 8.0565 112.5430 60.8528 70.1658 175.0835 116 E 3.9129 8.8565 121.2672 59.5303 29.2585 178.3509 117 A 4.1652 8.1167 119.0364 54.5791 18.6660 178.1719 118 N 4.7860 7.7945 112.1380 53.2489 39.1481 176.7888 119 A 4.0852 8.2249 127.0161 54.1415 18.1658 180.2086 120 W 4.3157 8.4597 113.9931 58.6680 28.1632 176.7359 121 K 4.0520 6.4976 117.7175 56.0231 32.2090 177.5650 122 S 4.1273 7.7430 116.9146 61.1558 63.4850 173.4840 123 T 5.0565 7.5501 117.0559 61.6007 70.6060 173.8595 124 L 4.6936 9.0100 127.4280 53.7061 43.7337 176.2119 125 V 4.3840 7.8520 120.5721 60.3234 34.5370 174.9983 126 G 3.0987 6.3382 107.8811 45.5802 0.0000 170.9305 127 H 5.2773 8.0402 114.3364 53.9267 31.4702 172.5719 128 D 5.2937 9.1001 121.8743 52.7949 44.6484 174.8166 129 T 5.1244 8.7954 119.3869 61.9511 71.1557 173.2788 130 F 5.6597 9.5326 125.7137 56.1761 42.0101 174.9009 131 T 5.5568 9.1914 111.7559 60.1429 72.4825 174.7067 132 K 4.1003 8.8521 119.6421 57.8194 32.4139 177.4855 133 V 4.1694 7.1884 118.2018 60.8084 32.8358 174.6897 134 K 4.0797 7.9026 127.9096 53.9726 32.8325 174.6278 135 P 4.4173 0.0000 0.0000 62.9881 32.0043 176.4174 136 S 4.3271 8.4036 114.2636 58.8758 62.9293 174.3600 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 16 G 8.35 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 0.00 0.00 0.00 17 I 7.72 3.61 1.35 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 -0.23 0.54 0.00 0.00 18 T 7.80 3.86 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 1.14 0.00 0.00 19 G 7.27 3.60 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 0.00 0.00 0.00 20 T 7.51 4.62 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 0.80 0.00 0.00 21 W 9.00 4.95 0.00 3.18 3.31 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 22 Y 9.57 5.85 0.00 3.17 2.89 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 23 N 9.02 5.44 0.00 2.43 1.89 0.00 0.00 6.49 7.01 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 24 Q 8.77 4.17 0.00 2.21 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 7.13 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 25 L 8.52 4.52 0.00 1.83 1.75 0.98 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.33 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.07 4.46 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 28 T 8.88 4.70 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 0.99 0.00 0.00 29 F 9.23 4.70 0.00 2.51 2.80 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 30 I 8.53 4.59 1.74 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.66 0.77 0.00 0.00 31 V 8.11 4.66 0.67 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 0.07 0.00 0.00 0.55 0.00 0.00 32 T 8.61 4.64 4.14 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 0.00 0.00 1.13 0.00 0.00 33 A 8.83 4.52 0.54 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 34 G 9.34 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 35 A 8.56 4.11 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 D 7.95 4.57 0.00 2.78 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 37 G 8.07 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 0.00 0.00 0.00 38 A 8.50 4.79 1.34 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 39 L 8.94 5.30 0.00 1.65 1.51 1.15 0.54 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 40 T 9.50 4.98 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 1.21 0.00 0.00 41 G 6.81 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 0.00 0.00 0.00 42 T 7.79 5.24 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 1.20 0.00 0.00 43 Y 9.49 5.05 0.00 3.00 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 44 E 9.39 5.46 0.00 2.06 1.78 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 2.28 2.33 0.00 45 S 9.42 4.67 0.00 3.98 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 0.00 *49 N 7.85 4.49 0.00 2.93 3.05 0.00 0.00 6.15 7.82 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 50 A 8.41 3.94 1.29 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 51 E 7.64 2.54 0.00 1.78 1.72 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 1.98 2.24 0.00 52 S 8.37 4.82 0.00 3.85 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 53 R 7.56 5.19 0.00 1.93 1.82 0.00 3.20 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 54 Y 9.14 4.98 0.00 2.84 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 55 V 8.63 4.36 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 0.82 0.00 0.00 0.97 0.00 0.00 56 L 8.83 5.27 0.00 2.05 1.80 0.87 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 57 T 8.50 4.80 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 58 G 8.76 4.69 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 R 8.78 5.63 0.00 1.77 1.80 0.00 3.31 0.00 0.00 3.25 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.75 0.00 60 Y 8.68 5.28 0.00 3.11 2.89 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 61 D 9.11 4.30 0.00 2.78 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 62 S 8.20 4.39 0.00 3.90 3.41 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 63 A 8.63 4.67 1.19 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 64 P 0.00 4.78 0.00 2.27 2.16 0.00 3.44 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.03 0.00 65 A 8.42 4.22 1.34 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 66 T 8.37 4.63 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 1.29 0.00 0.00 67 D 8.45 4.76 0.00 2.79 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 68 G 8.37 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.06 4.36 0.00 3.94 3.84 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 70 G 8.29 4.06 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 0.00 71 T 8.91 4.84 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 1.44 0.00 0.00 72 A 8.73 4.80 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 73 L 8.96 5.01 0.00 2.09 1.94 1.03 0.62 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 74 G 9.22 5.18 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 0.00 75 W 8.26 5.82 0.00 3.56 3.26 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 76 T 9.30 5.21 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 1.21 0.00 0.00 77 V 8.58 4.64 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 -0.41 0.00 0.00 0.80 0.00 0.00 78 A 8.30 4.48 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 79 W 8.57 4.10 0.00 3.24 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 80 K 7.72 5.27 0.00 1.98 1.73 0.00 1.81 0.00 0.00 1.82 0.00 0.00 3.09 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.41 1.48 7.81 81 N 8.98 5.00 0.00 2.93 2.73 0.00 0.00 6.79 6.58 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 82 N 8.87 4.60 0.00 2.44 2.68 0.00 0.00 6.65 7.46 0.00 0.00 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 Y 8.77 4.53 0.00 2.98 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 84 R 7.77 4.67 0.00 2.04 2.08 0.00 2.88 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.80 0.00 85 N 8.51 5.26 0.00 2.68 2.64 0.00 0.00 6.93 7.96 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 86 A 9.13 4.32 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 87 H 8.73 4.18 0.00 3.32 3.30 0.00 5.65 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 S 7.45 5.19 0.00 4.00 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 89 A 8.98 4.94 1.15 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 0.00 0.00 90 T 8.64 4.81 3.42 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 -0.89 0.00 0.00 91 T 8.54 4.92 4.14 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 0.00 0.00 1.13 0.00 0.00 92 W 8.69 4.98 0.00 1.78 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 0.00 0.00 0.00 93 S 8.75 4.97 0.00 3.80 3.65 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 94 G 8.87 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 0.00 0.00 0.00 0.00 95 Q 8.44 5.33 0.00 2.27 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 6.92 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 96 Y 9.41 4.74 0.00 3.04 2.90 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 0.00 0.00 0.00 97 V 8.12 4.35 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 0.85 0.00 0.00 0.91 0.00 0.00 98 G 8.35 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 99 G 8.59 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 0.00 0.00 0.00 100 A 8.40 4.04 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 0.00 101 E 7.80 4.45 0.00 1.92 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 2.26 2.32 0.00 102 A 8.35 4.54 1.47 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 0.00 0.00 103 R 8.97 5.28 0.00 2.27 2.16 0.00 2.78 0.00 0.00 3.48 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.79 0.00 104 I 8.82 4.81 1.72 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 -0.30 1.03 0.00 0.00 105 N 8.87 5.34 0.00 2.75 2.81 0.00 0.00 6.11 6.38 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 0.00 106 T 8.99 5.30 4.45 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 1.47 0.00 0.00 107 Q 9.10 4.97 0.00 1.90 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.74 0.00 0.00 0.00 0.00 0.00 2.25 2.37 0.00 108 W 8.49 5.46 0.00 2.65 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 0.00 0.00 0.00 0.00 109 L 8.62 5.13 0.00 1.53 1.54 0.87 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 110 L 9.20 4.97 0.00 1.50 1.65 0.95 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 111 T 8.94 5.03 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 0.00 112 S 8.73 5.10 0.00 3.68 3.75 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 0.00 113 G 8.82 3.84 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 0.00 114 T 8.34 4.78 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 1.15 0.00 0.00 115 T 8.06 4.10 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 0.00 116 E 8.86 3.91 0.00 2.07 2.02 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 2.40 2.40 0.00 117 A 8.12 4.17 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 0.00 118 N 7.79 4.79 0.00 2.72 2.66 0.00 0.00 6.82 7.44 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 0.00 119 A 8.22 4.09 1.42 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 0.00 0.00 0.00 120 W 8.46 4.32 0.00 3.57 3.25 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 0.00 121 K 6.50 4.05 0.00 1.06 0.74 0.00 1.20 0.00 0.00 1.19 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.30 0.75 7.81 122 S 7.74 4.13 0.00 4.14 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 0.00 123 T 7.55 5.06 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 1.19 0.00 0.00 124 L 9.01 4.69 0.00 1.78 1.83 0.95 0.53 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 0.00 125 V 7.85 4.38 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 0.53 0.00 0.00 0.70 0.00 0.00 126 G 6.34 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 0.00 0.00 0.00 127 H 8.04 5.28 0.00 3.15 3.12 0.00 5.66 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 D 9.10 5.29 0.00 3.02 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 0.00 0.00 0.00 129 T 8.80 5.12 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 1.42 0.00 0.00 130 F 9.53 5.66 0.00 3.03 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 T 9.19 5.56 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 1.41 0.00 0.00 132 K 8.85 4.10 0.00 1.66 1.73 0.00 1.19 0.00 0.00 0.83 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.78 0.97 7.81 133 V 7.19 4.17 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 0.69 0.00 0.00 0.93 0.00 0.00 134 K 7.90 4.08 0.00 0.79 1.17 0.00 1.53 0.00 0.00 1.62 0.00 0.00 3.15 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.18 1.14 7.81 135 P 0.00 4.42 0.00 2.22 2.06 0.00 3.81 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.27 0.00 136 S 8.40 4.33 0.00 3.86 3.79 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 * Residues marked with a * may have inaccurate shift predictions.