NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.7599 8.0932 114.7679 57.6749 64.4528 174.2520 2 L 3.7578 8.1470 119.9912 57.0416 41.1512 178.5752 3 L 3.9504 8.4139 120.3744 57.8050 41.8474 179.0231 4 E 4.0363 7.8099 118.0055 59.1212 29.4847 178.8299 5 L 4.0048 7.7910 120.4614 58.1552 42.1567 179.2149 6 G 3.6885 8.3117 105.8653 47.7679 0.0000 175.5509 7 K 3.9394 7.9743 121.7089 59.4508 32.2706 178.8089 8 M 3.9160 8.2507 119.2286 58.4588 31.7495 178.8587 9 I 3.6413 7.7984 119.9168 64.1312 37.2359 178.2534 10 L 4.0976 7.7259 122.5547 57.7097 41.6899 179.0748 11 Q 3.4026 7.6762 116.9791 58.4929 28.4630 178.1533 12 E 4.2474 7.7679 118.4160 58.7748 30.0469 178.2936 13 T 4.3515 8.0133 107.4913 61.0852 69.7692 175.9813 14 G 3.7125 7.7652 109.6199 46.0220 0.0000 173.1717 *16 K 4.2572 7.4329 117.6255 55.7759 33.4151 174.4879 17 N 4.6801 8.3392 119.2927 53.0310 39.5004 175.6991 18 A 4.3167 8.8432 129.4981 55.5631 19.3451 179.4069 19 I 3.6017 8.1243 116.5168 64.7128 37.3847 178.5227 20 T 3.9965 7.8060 108.4452 63.8947 69.0877 175.9185 21 S 4.4659 7.9193 116.5532 58.9649 63.0428 174.4015 22 Y 4.9403 7.8687 114.9609 57.5179 39.9599 177.6345 23 G 2.9699 8.0244 109.0027 47.4825 0.0000 174.6016 24 S 4.5825 7.7260 115.0539 57.9518 63.6664 172.5308 25 Y 4.9148 8.4666 122.4118 58.0996 40.1778 175.4598 26 G 3.4495 7.7905 116.7944 46.6365 0.0000 172.8811 27 C 4.8601 9.2392 118.6365 57.3276 40.8756 174.0260 28 N 5.0942 8.5902 114.5389 54.3478 41.7386 175.3886 29 C 4.6180 8.9335 114.8257 59.7692 37.1979 174.6714 30 G 4.1057 7.8783 108.0881 45.2678 0.0000 172.4269 31 W 4.7409 8.5647 121.4874 57.4529 29.4987 177.3224 32 G 4.1563 9.2482 111.6367 45.7433 0.0000 173.0013 33 H 4.6259 8.2599 117.8580 55.6601 29.2614 175.0798 34 R 4.7489 9.4648 122.2435 54.0584 33.6941 174.7751 35 G 4.3325 8.4898 106.8653 43.1729 0.0000 172.7503 36 Q 3.8598 7.7172 119.9040 54.8150 28.9324 175.3454 37 P 4.4495 0.0000 0.0000 63.1374 31.8569 176.7102 38 K 3.9188 8.5868 121.7356 58.7544 32.6583 176.0078 39 D 4.4814 7.1705 115.5195 51.5816 41.7724 175.2926 40 A 4.0238 8.6689 119.6584 55.8831 17.7525 179.7948 41 T 3.8358 8.0068 113.8265 67.0567 68.6275 176.1156 42 D 4.4837 8.6513 119.7625 57.3018 41.2180 178.2240 43 R 4.0265 8.1602 119.4137 59.4627 30.0795 177.6411 44 C 4.2438 8.3498 116.4717 60.5369 41.4248 175.6333 45 C 4.3071 7.9472 117.0681 59.6185 40.9709 175.9269 46 F 4.2214 8.2089 122.4407 61.3254 38.9959 177.2904 47 V 3.2820 7.9331 117.8550 66.0853 31.2762 177.3263 48 H 4.1460 8.2377 117.8343 59.4309 29.7601 177.4378 49 K 2.7859 7.9733 120.1425 59.1407 31.0205 178.6535 50 C 3.9478 7.7442 116.8730 59.9197 39.7856 175.4335 51 C 4.1321 7.7597 119.2490 59.7328 38.2128 174.7311 52 Y 4.1904 7.4714 118.5604 58.8514 37.8535 177.5901 53 K 4.1003 7.4312 119.5268 58.4010 32.2621 178.1217 54 K 4.0781 7.1730 113.8695 58.2036 32.9930 177.0928 55 L 4.1987 7.7007 120.9093 54.7711 41.5560 176.7354 56 T 4.2296 8.3714 113.4815 62.4771 69.7473 175.7820 *59 D 4.9021 8.1190 121.0147 54.3224 42.7147 173.4900 *61 C 4.4878 7.5729 113.3816 55.1397 37.1704 171.9897 *67 N 5.0061 8.1647 116.0267 53.5547 39.1774 174.2148 68 H 3.9897 8.7700 125.6317 59.1122 30.5595 177.3515 69 K 3.8387 8.4608 119.2202 58.6707 32.0438 178.6046 70 T 4.2787 7.8280 105.6443 61.5495 70.4892 173.7320 71 D 4.6027 7.6634 122.3324 53.0519 41.0354 176.6382 72 R 4.2837 8.5788 123.2709 55.6154 30.7799 175.2293 73 Y 5.0498 7.4522 117.2992 55.5540 41.3818 174.1547 74 S 5.0211 9.1482 116.8151 57.3269 64.0554 173.6533 75 Y 5.2130 8.4599 121.3415 55.9650 41.2669 174.1086 76 S 4.5188 9.1342 115.5609 56.4939 66.9217 173.5920 77 W 5.2937 8.7921 134.1338 56.0621 30.7093 174.8361 78 K 4.3133 8.4019 127.9785 55.4977 34.5758 176.0533 79 N 4.2990 9.3145 123.5011 54.7961 36.0846 173.7868 80 K 2.5121 7.3611 108.9233 56.3190 30.2619 175.4928 81 A 4.4720 6.3660 117.8528 50.4928 22.4286 176.0195 82 I 4.9575 8.4773 121.4036 61.0281 38.4315 175.4992 83 I 4.5443 8.9726 127.9681 59.5305 40.3013 174.2186 84 C 4.6935 8.8030 125.3329 56.0371 40.9364 174.2091 *86 E 4.8455 8.1607 126.3796 56.7393 29.1313 175.9564 87 E 4.7029 7.9216 118.9078 54.3605 32.5948 175.3745 88 K 4.0095 8.8223 126.0755 59.3722 32.7939 177.3034 89 N 4.1742 8.1332 118.7822 53.6741 39.5720 173.0943 90 P 4.2460 0.0000 0.0000 66.0149 31.4882 179.0875 91 C 4.2521 8.4181 117.0254 59.7604 44.7964 175.6915 92 L 3.8892 8.0430 120.0994 57.4163 41.2747 179.1823 93 K 3.8199 8.5459 120.2516 59.4738 32.1246 178.7954 94 E 3.9359 8.1173 118.9241 59.2706 29.2706 178.9217 95 M 3.9493 7.9071 118.3876 58.7867 32.3357 177.3624 96 C 3.2915 7.4761 118.4409 59.5252 40.7352 175.4899 97 E 3.9014 8.0283 120.0462 59.3030 29.1132 178.6395 98 C 4.2853 8.2254 116.6549 60.2253 38.8525 175.9803 99 D 4.2900 8.2357 120.4498 57.1248 40.4180 178.5370 100 K 3.7656 8.4289 120.3489 59.6418 32.1485 178.6213 101 A 4.0124 7.9818 121.1139 55.0956 18.1998 180.0049 102 V 3.5441 7.7490 117.1366 64.5211 31.5225 178.5927 103 A 3.8252 7.9042 121.5032 55.0027 18.2117 179.6185 104 I 3.6400 7.7031 118.3173 64.6598 37.1617 177.8872 105 C 4.2519 8.2410 119.2181 59.6781 43.2630 175.5636 106 L 3.8691 7.8521 119.6992 57.7340 41.3018 179.1599 107 R 4.0319 7.9302 118.6584 59.4805 29.8550 178.2070 108 E 4.1212 8.3372 117.6232 58.0970 29.7152 177.4110 109 N 5.1259 7.6865 115.2214 53.1636 39.2199 176.5331 110 L 4.1876 7.8194 124.4882 57.7220 41.3686 178.9942 111 D 4.4842 8.2655 117.5732 55.5303 39.5314 176.9411 112 T 4.5425 7.5567 107.6256 60.9976 69.3189 173.5378 113 Y 4.1020 7.8518 124.4749 58.3716 39.3333 174.5950 114 N 4.8446 8.6736 124.7888 51.4430 41.3764 175.0874 115 K 4.1348 8.6216 125.5886 58.4013 32.4834 179.2658 116 K 3.7756 7.6045 117.8521 59.4770 32.6935 177.6755 117 Y 3.7746 6.9276 116.0102 58.3174 38.1938 177.2323 118 K 3.9263 7.4091 120.8839 58.6457 32.3349 176.5215 119 A 4.6985 7.6543 121.2717 50.0800 18.4289 174.3640 120 Y 4.5470 8.7129 117.8762 56.6918 39.8689 176.2432 121 F 4.3395 8.7078 121.5655 61.6287 39.0392 176.0808 122 K 3.8235 8.0438 117.4879 57.1939 32.6207 176.1894 *124 F 4.1765 7.6110 116.3385 56.7104 39.7920 174.9893 125 K 4.1398 8.2415 124.0372 56.5972 32.5097 176.9740 126 C 5.0733 8.2809 118.4408 55.2176 38.6621 173.2635 *128 K 4.2030 8.3255 119.6807 55.8136 33.7916 174.9476 129 K 4.3896 8.4853 123.1296 55.7594 32.6227 174.9529 130 P 4.2333 0.0000 0.0000 62.5618 31.9062 175.9877 131 E 4.3222 8.0111 118.9039 55.5779 31.1901 175.7041 132 T 4.4462 8.0472 115.2113 62.7234 69.5660 176.0005 133 C 4.4603 8.7963 120.7594 57.4708 41.1817 173.7650 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 1 S 8.09 4.76 0.00 4.07 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 2 L 8.15 3.76 0.00 1.60 1.67 0.43 0.13 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 3 L 8.41 3.95 0.00 1.59 1.66 0.88 1.07 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 4 E 7.81 4.04 0.00 1.61 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 1.76 2.36 0.00 5 L 7.79 4.00 0.00 1.92 1.75 0.89 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 6 G 8.31 3.69 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 7 K 7.97 3.94 0.00 2.01 2.07 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.90 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.61 1.45 7.81 8 M 8.25 3.92 0.00 1.94 2.08 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.16 0.00 9 I 7.80 3.64 2.00 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 1.24 0.65 0.98 0.00 0.00 10 L 7.73 4.10 0.00 1.72 1.72 0.93 0.55 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 11 Q 7.68 3.40 0.00 1.35 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.68 0.00 0.00 0.00 0.00 0.00 1.27 1.97 0.00 12 E 7.77 4.25 0.00 1.97 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 2.30 2.49 0.00 13 T 8.01 4.35 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 1.24 0.00 0.00 14 G 7.77 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 *16 K 7.43 4.26 0.00 1.90 1.62 0.00 1.44 0.00 0.00 1.00 0.00 0.00 2.51 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.23 1.44 7.81 17 N 8.34 4.68 0.00 2.69 2.66 0.00 0.00 6.81 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 18 A 8.84 4.32 1.46 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 0.00 0.00 0.00 0.00 0.00 0.00 19 I 8.12 3.60 1.98 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.27 0.69 0.00 0.00 20 T 7.81 4.00 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 21 S 7.92 4.47 0.00 3.61 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 22 Y 7.87 4.94 0.00 3.26 2.96 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 23 G 8.02 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 0.00 0.00 0.00 24 S 7.73 4.58 0.00 3.99 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 25 Y 8.47 4.91 0.00 3.08 2.96 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 26 G 7.79 3.45 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 0.00 27 C 9.24 4.86 0.00 3.12 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 28 N 8.59 5.09 0.00 3.09 2.97 0.00 0.00 6.96 7.36 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 29 C 8.93 4.62 0.00 3.53 3.58 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 0.00 0.00 0.00 0.00 30 G 7.88 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 W 8.56 4.74 0.00 3.36 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 32 G 9.25 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 H 8.26 4.63 0.00 3.45 3.48 0.00 5.62 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 R 9.46 4.75 0.00 1.78 1.84 0.00 3.50 0.00 0.00 3.31 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.74 0.00 35 G 8.49 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 Q 7.72 3.86 0.00 2.02 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.70 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 37 P 0.00 4.45 0.00 1.95 2.06 0.00 3.44 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.97 0.00 38 K 8.59 3.92 0.00 0.79 0.74 0.00 1.64 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.11 0.22 7.81 39 D 7.17 4.48 0.00 2.91 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 40 A 8.67 4.02 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 41 T 8.01 3.84 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 0.91 0.00 0.00 42 D 8.65 4.48 0.00 3.02 2.74 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 43 R 8.16 4.03 0.00 2.08 2.10 0.00 3.20 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.76 0.00 44 C 8.35 4.24 0.00 3.21 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 45 C 7.95 4.31 0.00 3.29 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 F 8.21 4.22 0.00 3.23 3.27 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 47 V 7.93 3.28 2.22 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 0.89 0.00 0.00 0.98 0.00 0.00 48 H 8.24 4.15 0.00 3.36 3.52 0.00 5.66 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 7.97 2.79 0.00 1.63 1.47 0.00 1.81 0.00 0.00 1.67 0.00 0.00 3.10 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.23 1.56 7.81 50 C 7.74 3.95 0.00 2.75 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 51 C 7.76 4.13 0.00 3.03 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 52 Y 7.47 4.19 0.00 3.19 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 53 K 7.43 4.10 0.00 1.61 1.79 0.00 1.50 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.30 0.69 7.81 54 K 7.17 4.08 0.00 1.85 1.87 0.00 1.56 0.00 0.00 1.67 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.61 1.38 7.81 55 L 7.70 4.20 0.00 1.86 1.68 0.94 0.64 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 56 T 8.37 4.23 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 1.27 0.00 0.00 *59 D 8.12 4.90 0.00 2.83 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 *61 C 7.57 4.49 0.00 3.30 3.38 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 *67 N 8.16 5.01 0.00 2.76 2.84 0.00 0.00 7.31 7.89 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 68 H 8.77 3.99 0.00 2.90 2.86 0.00 5.72 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 K 8.46 3.84 0.00 1.94 1.68 0.00 1.55 0.00 0.00 1.43 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.23 1.25 7.81 70 T 7.83 4.28 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 71 D 7.66 4.60 0.00 2.89 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 72 R 8.58 4.28 0.00 1.75 1.76 0.00 3.16 0.00 0.00 2.25 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.51 0.00 73 Y 7.45 5.05 0.00 3.09 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 74 S 9.15 5.02 0.00 4.00 3.90 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 75 Y 8.46 5.21 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 76 S 9.13 4.52 0.00 3.91 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 77 W 8.79 5.29 0.00 3.47 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 78 K 8.40 4.31 0.00 1.73 1.51 0.00 1.80 0.00 0.00 1.62 0.00 0.00 2.86 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.25 1.29 7.81 79 N 9.31 4.30 0.00 2.72 2.72 0.00 0.00 7.17 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 80 K 7.36 2.51 0.00 1.64 1.68 0.00 1.89 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.17 1.29 7.81 81 A 6.37 4.47 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 I 8.48 4.96 2.01 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.14 0.96 0.00 0.00 83 I 8.97 4.54 1.95 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 1.25 1.02 0.95 0.00 0.00 84 C 8.80 4.69 0.00 3.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.16 4.85 0.00 1.95 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.27 0.00 87 E 7.92 4.70 0.00 2.11 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 2.13 2.55 0.00 88 K 8.82 4.01 0.00 1.78 1.85 0.00 1.74 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.45 1.49 7.81 89 N 8.13 4.17 0.00 2.81 2.88 0.00 0.00 7.30 7.28 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 90 P 0.00 4.25 0.00 2.18 2.09 0.00 3.65 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 2.11 2.15 0.00 91 C 8.42 4.25 0.00 3.00 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 L 8.04 3.89 0.00 1.89 1.78 0.98 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 93 K 8.55 3.82 0.00 1.99 1.92 0.00 1.49 0.00 0.00 1.78 0.00 0.00 3.13 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.46 7.81 94 E 8.12 3.94 0.00 2.17 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 2.50 2.43 0.00 95 M 7.91 3.95 0.00 2.07 2.01 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.55 0.00 96 C 7.48 3.29 0.00 1.79 2.82 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 97 E 8.03 3.90 0.00 2.11 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 2.44 2.44 0.00 98 C 8.23 4.29 0.00 3.24 3.27 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 99 D 8.24 4.29 0.00 2.81 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 0.00 100 K 8.43 3.77 0.00 1.74 1.96 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.49 7.81 101 A 7.98 4.01 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 V 7.75 3.54 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 0.64 0.00 0.00 0.85 0.00 0.00 103 A 7.90 3.83 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 0.00 104 I 7.70 3.64 2.00 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 1.46 0.69 0.93 0.00 0.00 105 C 8.24 4.25 0.00 3.11 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 0.00 106 L 7.85 3.87 0.00 1.56 1.46 0.10 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 107 R 7.93 4.03 0.00 1.95 2.19 0.00 3.29 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 2.01 0.00 108 E 8.34 4.12 0.00 2.15 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 2.34 2.41 0.00 109 N 7.69 5.13 0.00 2.87 2.82 0.00 0.00 6.84 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 0.00 110 L 7.82 4.19 0.00 1.67 1.75 1.02 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 111 D 8.27 4.48 0.00 2.82 2.85 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 0.00 112 T 7.56 4.54 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 113 Y 7.85 4.10 0.00 3.01 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 0.00 114 N 8.67 4.84 0.00 2.69 2.41 0.00 0.00 6.85 5.40 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 0.00 115 K 8.62 4.13 0.00 1.84 1.83 0.00 1.75 0.00 0.00 1.92 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.75 1.57 7.81 116 K 7.60 3.78 0.00 1.60 1.69 0.00 1.29 0.00 0.00 1.20 0.00 0.00 2.66 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.30 0.69 7.81 117 Y 6.93 3.77 0.00 1.52 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 0.00 0.00 0.00 118 K 7.41 3.93 0.00 1.80 1.95 0.00 1.92 0.00 0.00 1.79 0.00 0.00 3.03 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.51 1.54 7.81 119 A 7.65 4.70 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 0.00 120 Y 8.71 4.55 0.00 3.03 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 0.00 121 F 8.71 4.34 0.00 3.07 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 0.00 122 K 8.04 3.82 0.00 1.88 1.69 0.00 1.78 0.00 0.00 1.86 0.00 0.00 3.18 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.60 7.81 *124 F 7.61 4.18 0.00 1.61 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 0.00 0.00 0.00 125 K 8.24 4.14 0.00 1.68 1.69 0.00 1.60 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.33 1.30 7.81 126 C 8.28 5.07 0.00 2.84 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 *128 K 8.33 4.20 0.00 1.71 1.76 0.00 1.94 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.29 7.81 129 K 8.49 4.39 0.00 1.75 1.69 0.00 1.79 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.38 7.81 130 P 0.00 4.23 0.00 2.22 2.10 0.00 3.80 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 1.99 1.97 0.00 131 E 8.01 4.32 0.00 2.05 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 1.72 2.19 0.00 132 T 8.05 4.45 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 1.25 0.00 0.00 133 C 8.80 4.46 0.00 2.92 2.88 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 * Residues marked with a * may have inaccurate shift predictions.