NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 D 4.6050 8.3493 120.3087 53.0873 42.0952 175.0735 10 T 4.5815 7.2779 109.3437 57.8201 68.6595 172.3033 11 P 4.2911 0.0000 0.0000 66.7355 32.7602 179.3349 12 Y 4.1863 7.7926 115.9833 61.0920 37.8875 178.5499 13 S 4.1774 8.2709 115.5279 61.7201 62.9677 175.9907 14 Y 4.0241 8.2510 122.1264 60.8012 38.5481 178.2329 15 L 3.8976 8.3722 120.1378 57.7392 41.6708 179.6067 16 I 3.7046 8.0498 119.9669 64.4192 36.8278 178.7188 17 R 3.8602 7.8083 117.8191 59.1958 29.9467 178.8709 18 S 4.0541 7.4894 111.7664 61.3059 62.8017 175.8966 19 I 3.9793 7.8648 122.7688 64.1804 36.5767 178.9389 20 G 3.7004 7.6865 102.5140 45.8824 0.0000 174.3274 *22 K 4.3556 8.0430 121.1723 55.8723 33.9875 177.8521 23 L 4.1706 7.7033 117.3061 56.5900 41.7664 178.3038 24 K 4.6288 7.8688 116.8187 56.6876 32.7737 178.2695 25 T 3.8639 7.6308 117.5149 66.8570 68.5841 176.5351 26 S 4.0574 8.0535 116.2769 61.6018 62.8431 176.6395 27 A 3.9300 7.7615 122.8468 55.1914 18.2717 179.2100 28 D 4.3809 8.3064 117.2611 57.4514 40.8172 178.8992 29 A 4.0074 8.0977 121.2713 55.1622 18.4151 179.7051 30 R 3.8098 7.9237 116.9455 59.3883 30.0906 178.4896 31 L 4.1005 8.3197 118.6740 57.9641 41.6466 179.4166 32 A 4.0084 8.0866 120.3298 55.3956 18.1436 179.4916 33 E 3.9526 8.2136 115.8519 59.3624 29.6225 178.8124 34 L 4.4463 8.0453 116.2349 54.2010 41.9574 177.1445 35 G 3.9700 8.0542 106.9773 46.4672 0.0000 173.6476 36 L 4.9337 7.9879 118.4131 52.5758 44.4075 176.3551 37 N 4.8844 8.7851 119.3039 51.3990 40.8212 176.1946 38 S 4.1025 8.4193 115.8037 61.9286 62.5282 177.0469 39 Q 4.0086 8.0008 119.4827 58.8256 28.5550 178.3762 40 Q 4.1891 8.3462 118.5965 58.8474 29.0649 178.3532 41 G 3.7002 8.0474 109.1915 48.3396 0.0000 177.1586 42 R 4.3462 7.7221 121.2559 58.4836 29.2723 180.4030 *44 I 4.2805 7.8284 122.4506 62.2900 39.4117 178.3823 45 G 3.6810 8.2957 106.9722 48.0300 0.0000 174.9975 46 Y 4.0004 8.7066 122.5412 60.3389 38.7923 178.2520 47 I 3.6175 7.8291 120.1488 64.5750 37.1201 177.3183 48 Y 4.1694 8.0375 119.1781 61.1840 38.5823 178.0615 49 E 3.9531 8.2069 117.9870 58.3387 29.8144 177.9395 50 N 4.6899 7.4727 114.0829 52.6901 39.9254 176.4919 51 Q 3.7379 8.0370 120.1509 58.9644 28.3077 178.5360 52 E 4.0819 7.8892 119.5486 59.4326 29.7078 178.6665 53 S 4.2961 7.8399 113.5459 60.6300 63.0967 175.3058 54 G 4.0509 7.6457 110.2187 45.8947 0.0000 173.1326 55 I 4.6762 8.0422 116.9120 59.0558 40.6111 174.5197 56 I 4.7361 9.0348 123.6204 59.0291 40.0695 176.3655 57 Q 3.9849 8.6259 121.7103 59.5014 28.2472 178.5854 58 K 3.9278 8.0618 118.8896 59.7433 32.2715 178.6759 59 D 4.4382 7.9085 118.9474 57.5347 40.4942 179.0019 60 L 4.0557 7.8970 117.8817 57.4475 41.7917 178.1671 61 A 4.1298 7.6459 121.3986 54.6898 18.4631 178.3018 62 Q 4.3144 7.5929 111.9219 57.3634 29.6022 176.9099 63 F 4.0226 7.8357 120.0113 60.3277 39.5439 174.7498 *70 S 4.2580 7.6803 113.4541 57.8931 62.9792 172.8595 71 I 4.1033 8.0768 114.9865 62.9484 38.4873 177.5555 72 T 4.0251 8.0823 118.1859 66.7988 68.4473 177.8502 73 S 4.8229 7.7908 113.1939 58.1620 62.6161 175.9218 *75 L 4.2744 8.0805 122.6911 55.9292 43.1677 179.2835 76 Q 4.0978 8.3725 117.5805 58.8903 28.5911 178.9590 77 G 3.7882 8.2784 106.8195 48.1388 0.0000 175.7242 78 L 4.2456 7.9471 121.1890 57.2379 41.6905 179.3436 79 E 4.2742 8.6480 120.5751 58.8624 29.2164 179.2648 80 K 3.9887 8.0429 118.5035 59.2408 32.3647 178.2312 81 K 4.1861 7.9301 116.1448 56.2734 32.1023 177.6908 82 G 3.8163 7.6860 107.3509 46.3433 0.0000 174.4223 83 Y 4.5514 8.0521 120.0248 59.2585 38.3858 175.5674 84 I 5.0834 7.4920 118.9127 59.1517 41.1177 174.7383 85 E 4.3198 9.0195 127.0634 55.9904 30.2083 176.7183 86 R 4.2269 8.6331 125.0149 56.3066 30.9212 177.1248 87 R 4.6641 8.2355 120.9866 55.4558 31.3378 175.6078 *96 K 4.1165 8.4067 120.9899 57.1157 33.2973 175.5652 97 N 4.6196 8.7122 120.2291 53.4176 39.2166 174.0874 98 I 4.5274 7.7005 121.3786 59.9394 39.1772 175.0377 99 Y 5.0053 8.3094 122.6651 56.1322 42.1300 175.3463 100 V 4.3242 9.3956 117.0363 61.4256 32.7356 176.2622 101 L 4.5259 8.7508 123.5880 53.1506 43.0250 176.2341 102 P 4.3021 0.0000 0.0000 65.9554 30.9960 178.8181 103 K 4.0979 8.2111 118.0297 59.4020 32.1131 178.9301 104 G 3.6998 8.4475 105.8168 47.8123 0.0000 175.5090 105 A 3.5860 8.1052 122.9566 54.6706 18.5027 179.2292 106 A 4.1154 8.3960 119.6831 55.3194 18.4114 179.6276 107 L 3.9807 7.9078 118.7215 58.3353 42.2175 179.2847 108 V 3.5614 7.5634 118.1721 66.1515 31.3335 177.8609 109 E 3.9952 8.0844 118.2726 59.2597 29.2504 178.9468 110 E 3.8776 8.2705 119.4694 59.3513 29.7296 178.9661 111 F 3.6630 8.4617 117.8494 60.1818 38.9968 177.3405 112 N 4.5596 8.4551 116.3007 56.8019 38.3268 177.1771 113 N 4.4014 8.2160 117.5836 56.0928 38.5121 177.4306 114 I 3.4613 7.6427 121.3624 64.5596 37.0719 178.4910 115 F 4.1872 8.0157 118.2992 60.2784 38.6829 177.7688 116 L 4.0329 8.1038 118.8146 57.9311 41.4779 179.3719 117 E 3.9620 8.3899 118.6820 59.3383 29.1422 179.6088 118 V 3.5661 7.7099 117.3423 65.9543 32.0165 177.2023 119 E 4.0910 8.5175 119.3861 59.4936 28.9147 178.5245 120 E 4.0073 8.3719 119.4784 59.1114 29.7188 178.8100 121 S 4.2306 8.1663 114.1311 61.0884 62.6998 176.4683 122 I 3.7834 7.5117 122.9476 63.8964 37.1131 177.2325 123 T 4.3452 7.5097 107.8376 61.2698 68.8521 176.2372 124 K 3.7398 7.6882 124.0902 59.7895 32.1170 177.4855 125 G 3.9639 7.9976 103.3402 45.3467 0.0000 172.9116 126 L 4.9107 7.4377 119.9653 52.8775 43.9679 177.1131 127 T 4.2961 8.9747 113.4867 60.7525 71.2606 176.1219 128 K 3.9058 8.4438 119.6434 59.9013 31.9694 179.2003 129 D 4.3925 8.0851 118.4517 57.5516 40.6882 178.6570 130 E 4.1211 8.1550 118.6126 59.3590 29.1670 179.4661 131 Q 3.9735 7.7985 117.4827 58.7708 28.8794 178.4408 132 K 4.0967 7.7191 119.0839 59.6616 32.5185 178.5505 133 Q 4.1930 8.2964 118.5395 58.7337 28.4914 178.7761 134 L 3.9890 7.9526 117.6829 56.4764 42.0514 178.4947 *136 S 4.3928 7.9654 115.0259 58.4213 65.0110 176.2778 137 I 3.7952 8.1229 121.2230 64.2130 36.7577 178.4320 138 L 4.0491 8.2713 120.2494 57.6913 41.3604 179.5493 139 I 3.6709 7.7173 119.2840 64.2615 36.8966 178.1526 140 K 3.8797 7.6801 118.7723 59.4264 32.3416 178.5674 141 V 3.6781 8.1353 118.8549 66.2170 31.2548 177.5412 142 N 4.3107 8.2428 115.5637 56.6470 38.8092 176.4975 143 R 4.0262 8.0564 119.8242 58.7478 30.2118 176.8359 144 S 4.4442 7.7523 118.0634 58.5719 63.4800 173.7399 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 9 D 8.35 4.60 0.00 2.78 2.84 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 10 T 7.28 4.58 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 1.24 0.00 0.00 11 P 0.00 4.29 0.00 2.05 2.24 0.00 3.76 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 1.80 1.91 0.00 12 Y 7.79 4.19 0.00 3.04 2.99 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 13 S 8.27 4.18 0.00 3.95 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 8.25 4.02 0.00 3.13 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 L 8.37 3.90 0.00 1.91 1.73 0.96 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 16 I 8.05 3.70 1.96 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 1.55 0.70 0.91 0.00 0.00 17 R 7.81 3.86 0.00 1.79 1.91 0.00 3.16 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 18 S 7.49 4.05 0.00 3.25 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 I 7.86 3.98 1.85 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.87 0.91 0.00 0.00 20 G 7.69 3.70 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 0.00 0.00 0.00 *22 K 8.04 4.36 0.00 1.99 1.92 0.00 1.65 0.00 0.00 1.81 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.59 7.81 23 L 7.70 4.17 0.00 1.88 1.86 0.95 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 24 K 7.87 4.63 0.00 1.84 1.92 0.00 1.70 0.00 0.00 1.86 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.57 1.59 7.81 25 T 7.63 3.86 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 26 S 8.05 4.06 0.00 3.69 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 27 A 7.76 3.93 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 28 D 8.31 4.38 0.00 2.89 2.77 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 29 A 8.10 4.01 1.35 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 0.00 0.00 0.00 30 R 7.92 3.81 0.00 1.78 1.80 0.00 3.26 0.00 0.00 3.05 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.76 0.00 31 L 8.32 4.10 0.00 2.00 1.94 0.89 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.09 4.01 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 E 8.21 3.95 0.00 2.11 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.48 0.00 34 L 8.05 4.45 0.00 1.89 1.85 1.11 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.05 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 7.99 4.93 0.00 1.59 1.51 0.72 0.91 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 37 N 8.79 4.88 0.00 2.95 2.94 0.00 0.00 7.25 8.47 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 38 S 8.42 4.10 0.00 3.87 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 39 Q 8.00 4.01 0.00 2.19 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.07 0.00 0.00 0.00 0.00 0.00 2.33 2.43 0.00 40 Q 8.35 4.19 0.00 2.14 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.92 0.00 0.00 0.00 0.00 0.00 2.40 2.48 0.00 41 G 8.05 3.70 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 0.00 0.00 0.00 42 R 7.72 4.35 0.00 1.85 1.91 0.00 3.30 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 *44 I 7.83 4.28 1.85 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.61 0.83 0.00 0.00 45 G 8.30 3.68 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 0.00 0.00 0.00 46 Y 8.71 4.00 0.00 3.15 2.99 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 47 I 7.83 3.62 2.06 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 1.57 0.53 0.93 0.00 0.00 48 Y 8.04 4.17 0.00 2.94 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 49 E 8.21 3.95 0.00 1.93 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.47 0.00 50 N 7.47 4.69 0.00 2.22 2.44 0.00 0.00 6.70 8.25 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 51 Q 8.04 3.74 0.00 2.07 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.93 6.82 0.00 0.00 0.00 0.00 0.00 2.48 2.45 0.00 52 E 7.89 4.08 0.00 1.86 2.01 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 2.26 2.45 0.00 53 S 7.84 4.30 0.00 3.89 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 54 G 7.65 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 55 I 8.04 4.68 1.86 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.02 0.76 0.00 0.00 56 I 9.03 4.74 1.97 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 1.35 1.26 0.93 0.00 0.00 57 Q 8.63 3.98 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.88 0.00 0.00 0.00 0.00 0.00 2.44 2.48 0.00 58 K 8.06 3.93 0.00 1.85 1.86 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.54 1.55 7.81 59 D 7.91 4.44 0.00 2.81 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 L 7.90 4.06 0.00 1.78 1.74 1.08 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 61 A 7.65 4.13 1.32 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 62 Q 7.59 4.31 0.00 2.18 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.97 0.00 0.00 0.00 0.00 0.00 2.56 2.35 0.00 63 F 7.84 4.02 0.00 2.88 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 *70 S 7.68 4.26 0.00 3.89 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 I 8.08 4.10 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.75 0.90 0.00 0.00 72 T 8.08 4.03 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 1.22 0.00 0.00 73 S 7.79 4.82 0.00 4.01 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 *75 L 8.08 4.27 0.00 1.99 1.82 0.94 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 76 Q 8.37 4.10 0.00 2.28 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 77 G 8.28 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 0.00 0.00 0.00 78 L 7.95 4.25 0.00 1.91 1.86 0.95 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 79 E 8.65 4.27 0.00 2.18 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 2.37 2.32 0.00 80 K 8.04 3.99 0.00 1.89 1.97 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.48 7.81 81 K 7.93 4.19 0.00 1.86 1.63 0.00 1.97 0.00 0.00 1.92 0.00 0.00 3.08 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.60 7.81 82 G 7.69 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 Y 8.05 4.55 0.00 3.23 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 I 7.49 5.08 1.95 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 1.36 1.29 1.05 0.00 0.00 85 E 9.02 4.32 0.00 2.15 2.01 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 2.37 2.33 0.00 86 R 8.63 4.23 0.00 1.76 1.87 0.00 3.23 0.00 0.00 3.24 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.68 0.00 87 R 8.24 4.66 0.00 1.81 1.80 0.00 3.39 0.00 0.00 3.33 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 *96 K 8.41 4.12 0.00 1.80 1.84 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.37 1.50 7.81 97 N 8.71 4.62 0.00 2.81 2.24 0.00 0.00 6.93 7.45 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 98 I 7.70 4.53 1.76 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 0.51 0.91 0.00 0.00 99 Y 8.31 5.01 0.00 3.07 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 0.00 100 V 9.40 4.32 2.31 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 0.83 0.00 0.00 1.23 0.00 0.00 101 L 8.75 4.53 0.00 1.90 1.63 1.04 0.97 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 0.00 102 P 0.00 4.30 0.00 2.18 2.16 0.00 3.64 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 2.14 2.20 0.00 103 K 8.21 4.10 0.00 1.82 2.00 0.00 1.57 0.00 0.00 1.63 0.00 0.00 2.46 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.58 1.53 7.81 104 G 8.45 3.70 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 0.00 0.00 0.00 105 A 8.11 3.59 1.51 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 0.00 106 A 8.40 4.12 1.43 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 0.00 0.00 107 L 7.91 3.98 0.00 1.97 1.77 1.12 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 108 V 7.56 3.56 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 0.81 0.00 0.00 0.65 0.00 0.00 109 E 8.08 4.00 0.00 2.21 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 2.35 2.31 0.00 110 E 8.27 3.88 0.00 2.14 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 1.98 2.22 0.00 111 F 8.46 3.66 0.00 3.26 3.29 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 0.00 112 N 8.46 4.56 0.00 3.00 2.97 0.00 0.00 7.00 6.21 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 0.00 113 N 8.22 4.40 0.00 2.85 2.82 0.00 0.00 7.06 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 I 7.64 3.46 1.45 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.35 0.39 0.00 0.00 115 F 8.02 4.19 0.00 3.27 3.11 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 0.00 116 L 8.10 4.03 0.00 1.89 1.74 0.95 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 117 E 8.39 3.96 0.00 2.07 1.95 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 2.30 2.45 0.00 118 V 7.71 3.57 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 0.84 0.00 0.00 0.92 0.00 0.00 119 E 8.52 4.09 0.00 2.22 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 2.34 2.39 0.00 120 E 8.37 4.01 0.00 2.27 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 121 S 8.17 4.23 0.00 4.10 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 0.00 122 I 7.51 3.78 2.02 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 1.59 0.71 0.92 0.00 0.00 123 T 7.51 4.35 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 1.22 0.00 0.00 124 K 7.69 3.74 0.00 1.88 1.93 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.46 1.42 7.81 125 G 8.00 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 0.00 0.00 0.00 126 L 7.44 4.91 0.00 1.76 1.58 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 127 T 8.97 4.30 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 1.22 0.00 0.00 128 K 8.44 3.91 0.00 1.82 1.91 0.00 1.68 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.53 1.54 7.81 129 D 8.09 4.39 0.00 2.69 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 0.00 130 E 8.15 4.12 0.00 2.28 2.01 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 2.34 2.36 0.00 131 Q 7.80 3.97 0.00 2.22 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.96 0.00 0.00 0.00 0.00 0.00 2.40 2.54 0.00 132 K 7.72 4.10 0.00 1.79 1.98 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.48 7.81 133 Q 8.30 4.19 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.77 0.00 0.00 0.00 0.00 0.00 2.39 2.48 0.00 134 L 7.95 3.99 0.00 1.87 1.80 0.94 1.29 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 *136 S 7.97 4.39 0.00 4.08 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 0.00 137 I 8.12 3.80 1.92 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.65 0.89 0.00 0.00 138 L 8.27 4.05 0.00 1.71 1.72 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 139 I 7.72 3.67 2.02 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 1.52 0.57 0.91 0.00 0.00 140 K 7.68 3.88 0.00 2.03 1.81 0.00 1.80 0.00 0.00 1.61 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.44 7.81 141 V 8.14 3.68 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 0.89 0.00 0.00 0.88 0.00 0.00 142 N 8.24 4.31 0.00 2.76 2.94 0.00 0.00 7.27 7.26 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 0.00 143 R 8.06 4.03 0.00 2.04 2.03 0.00 3.30 0.00 0.00 3.27 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 144 S 7.75 4.44 0.00 4.06 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 * Residues marked with a * may have inaccurate shift predictions.