NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 21 K 4.2794 8.3149 120.0021 57.0178 34.0406 176.9459 22 L 4.2736 7.5330 121.0988 53.0890 40.0963 176.5195 23 I 3.9152 8.4397 123.1855 64.1696 38.8750 178.6554 24 E 3.9285 7.8325 118.1189 59.6885 29.2683 179.8348 25 S 4.2426 8.1690 113.4612 61.5822 62.9978 176.2365 26 L 3.8771 7.5514 121.0808 57.3527 41.2916 179.1808 27 Q 4.2155 7.7020 117.3786 57.3678 29.1702 176.1929 28 E 4.8080 7.9993 117.1894 55.8553 29.9511 175.1848 29 N 5.0420 8.2098 115.3704 52.3166 38.5029 175.0735 30 E 4.7424 8.6211 122.1144 56.6030 32.9257 173.5377 31 L 4.6550 8.2076 125.1022 54.1436 44.8138 175.2659 32 L 4.7281 7.8244 119.2934 53.0639 44.0070 177.0411 33 N 4.5848 8.9015 122.1462 52.5317 39.5947 176.3296 34 T 3.8468 8.3001 118.7270 67.2698 68.5774 176.1931 35 D 4.3508 8.1037 120.0019 57.4046 40.7368 178.5642 36 E 3.9471 8.7999 118.6478 58.9547 29.6755 179.1425 37 K 4.0121 8.0877 119.8292 59.4799 32.3083 178.6729 38 K 3.8509 7.9357 119.8243 59.4101 31.8792 178.3147 39 K 3.8390 8.2264 119.9313 59.6343 32.0282 178.8152 40 I 3.6972 7.7013 119.7390 64.4738 37.0886 178.3759 41 I 3.6559 7.6915 120.0792 64.6719 36.9248 178.1289 42 D 4.3324 8.4556 119.9491 57.3170 40.3471 178.8878 43 Q 3.9166 7.5795 118.0840 58.9683 28.7699 178.4957 44 I 3.6391 7.4602 119.8755 64.0488 37.3607 178.1423 45 K 4.0418 8.0501 120.5537 59.5650 32.0165 179.4794 46 T 3.6157 7.8604 112.5473 64.7081 68.0129 175.3875 *48 H 4.5114 8.0927 122.8323 56.3069 31.6691 175.1876 49 D 4.3842 7.9605 119.1277 56.9623 40.2909 178.5447 50 F 4.1216 7.6975 120.0856 61.2647 39.5298 176.7733 51 F 4.6520 7.8053 115.4473 60.7435 38.6199 176.9499 52 K 4.3419 7.9857 120.3430 58.8237 31.8207 179.8030 53 Q 3.8523 7.8163 118.5223 55.6119 28.6423 176.8142 *55 H 4.7573 8.0026 113.0509 55.4529 30.1464 173.0981 56 T 4.4119 6.9587 114.6550 62.8448 69.2974 173.6760 57 N 4.3758 7.5254 117.4086 51.7266 40.5921 174.4462 58 K 3.9827 8.1645 128.0217 59.3959 32.2538 178.4986 59 G 3.6041 8.0847 105.1906 47.1987 0.0000 175.5889 60 A 3.8406 8.4744 123.5370 55.1982 18.4992 179.5868 61 L 3.6593 7.9122 118.8586 57.8888 42.0682 178.7264 62 D 4.2809 8.0367 118.3600 56.9627 40.9698 177.8929 63 K 3.6928 7.4148 118.6427 59.6321 32.5000 178.2860 64 V 3.3702 7.4094 118.0557 66.0179 31.1922 177.5565 65 L 3.9278 7.8454 118.3422 58.2069 41.4664 179.9058 66 R 3.7378 8.1086 115.6113 57.8979 29.9469 176.9401 67 N 5.0491 8.5482 114.0247 53.0247 40.8872 174.4325 68 Y 4.6748 7.8356 116.6551 57.8217 38.6569 177.6857 *70 K 4.2932 8.1719 122.4207 55.9185 34.3246 175.3330 71 D 4.9690 7.5012 116.9399 51.4191 41.1659 174.5187 72 Y 4.2818 8.4195 124.9544 60.9172 38.6967 177.6737 73 R 3.6247 8.0792 115.5788 58.7181 29.5977 178.2603 74 A 3.8086 8.3865 121.7615 54.5265 18.5668 179.7088 75 V 3.5217 7.6034 117.3374 66.1173 31.4222 178.3222 76 I 4.0196 7.3126 111.7112 63.2020 37.4270 178.0167 77 K 4.1688 7.0987 119.3346 59.1406 32.4212 178.9790 78 S 4.2845 8.5849 114.6568 60.7547 62.8464 174.9061 79 I 4.0923 7.6440 119.0929 62.4068 38.8779 176.4637 80 G 4.2460 8.6459 107.0634 46.0746 0.0000 174.9451 81 V 3.9178 8.3719 114.3759 64.0725 31.2941 178.5972 82 D 4.3794 8.1473 118.1397 56.3931 38.8819 178.0889 83 K 4.0645 7.9078 120.8883 58.7455 32.3195 178.9481 84 F 4.0718 8.0752 117.8071 60.4769 38.8051 177.2371 85 K 4.1256 8.3928 118.2132 59.4015 32.2158 178.4248 86 K 4.0319 7.6706 119.0503 59.6522 32.1943 179.1106 87 V 3.3863 7.5014 112.0379 64.6869 31.3508 178.1392 88 Y 4.0319 7.5476 115.7118 60.8366 37.4694 178.8071 89 R 3.7021 7.8219 119.2074 58.9888 30.1527 178.7018 90 L 4.0543 7.6547 119.6016 57.7351 42.1260 178.8128 91 L 4.0811 8.2431 119.7085 57.5560 41.1551 178.8908 92 E 4.2590 8.3958 120.7543 58.7968 29.3495 179.0623 93 S 4.2695 7.7219 114.2152 61.8249 63.2831 176.2500 94 E 4.4427 8.4144 121.5123 59.4110 28.9629 180.3688 95 T 3.8670 8.1569 108.8144 61.8161 68.6284 175.8882 *97 E 4.3626 8.1676 123.6589 57.1841 31.7202 177.2441 98 L 3.5767 8.1914 119.9287 58.0316 41.9544 178.5249 99 L 3.8469 7.7194 120.1487 58.6807 41.8336 178.7877 100 H 4.1895 8.0054 115.2591 58.5257 28.7304 177.3124 101 A 3.9005 8.0915 122.9640 55.1868 17.9059 179.6596 102 I 3.6603 7.7161 116.8974 64.4760 37.3032 178.0741 103 A 4.1148 7.7631 119.9911 55.4403 18.3982 179.1074 104 E 4.3344 8.3350 115.4549 57.1426 30.4675 176.4144 105 N 4.8516 7.9894 115.6749 50.5351 39.9391 172.7695 106 P 4.2235 0.0000 0.0000 65.7644 31.5143 177.5381 107 N 4.8565 8.0780 111.1188 53.2724 38.6727 175.1888 108 F 3.7425 7.6501 120.8554 58.5891 40.3412 174.5007 109 L 3.4637 7.0598 122.8555 55.7784 38.2959 174.0533 110 F 4.3936 10.0341 122.2306 59.5121 40.4921 175.1003 111 S 4.6529 7.8670 112.9160 55.1220 66.2084 174.3674 112 K 4.0292 8.0364 117.0946 59.5679 31.5113 179.2217 113 F 4.4240 8.1483 120.5158 61.1869 39.2654 176.5325 114 D 4.4374 8.7182 118.2784 56.1359 40.5120 178.1346 115 R 4.0463 7.7534 119.1144 57.9190 29.6996 178.0773 116 S 4.2874 7.8061 114.3164 60.1603 63.2168 176.2042 117 I 3.9006 7.9556 124.7373 64.3500 36.7607 177.9862 118 L 4.4453 7.9897 120.0624 57.7251 41.2227 179.4564 119 G 3.8121 7.5850 104.4101 47.5456 0.0000 175.2255 120 I 3.9342 7.3957 120.8345 63.6208 37.3457 177.3661 121 F 5.0291 8.2061 117.8601 58.8827 39.4964 177.8829 122 L 4.3034 8.3488 118.6263 57.7844 41.2496 177.4870 123 P 4.3082 0.0000 0.0000 64.1817 31.2548 176.8406 124 F 5.2056 8.1368 114.5617 57.1138 40.0406 175.0808 125 F 4.9709 8.5023 121.9310 59.6446 41.2967 175.5017 126 S 4.0069 8.5142 115.4501 57.6286 62.6078 173.5323 127 K 3.4788 8.3010 129.3475 58.8942 32.3713 176.0217 128 P 4.3923 0.0000 0.0000 65.7620 31.3487 178.5884 129 I 3.5754 7.6947 113.7842 62.7342 36.6019 176.3951 *131 F 5.3871 7.9325 123.5553 58.3519 40.7964 176.2303 132 K 4.0284 7.8625 121.9901 56.0947 31.2748 175.9196 *134 S 4.2529 7.7776 111.3810 57.6799 64.2287 173.7502 135 I 3.8504 8.2617 120.2871 64.7777 37.2695 177.9031 136 R 4.0549 8.2519 118.6059 59.7230 30.1628 179.0396 137 E 3.9231 7.8363 114.1521 57.9178 30.0552 178.3142 *139 D 4.4455 8.2211 120.2934 54.2916 42.9497 177.7973 140 S 4.2420 8.1066 114.0635 61.1184 62.9156 176.2055 141 Q 4.0993 8.1982 123.5318 59.1115 28.7224 178.1325 142 I 3.7474 7.7762 120.4266 64.2505 37.2779 177.7915 143 E 3.8680 8.1923 120.0699 59.1894 29.4422 178.2284 144 L 3.9095 8.3093 120.6876 58.6402 42.0174 178.3757 145 Y 3.9547 8.5670 116.6456 61.2809 37.6973 179.2142 146 G 3.7326 8.2866 105.3175 47.6227 0.0000 175.0596 147 T 4.2422 7.4702 110.5828 63.8992 69.5054 177.1956 148 K 4.0251 8.0566 120.6245 59.0254 32.3117 178.7171 149 L 4.0938 7.4630 117.9674 58.5244 41.7713 177.0572 150 P 3.5149 0.0000 0.0000 65.2593 31.9196 175.5830 151 L 4.4117 7.3854 130.9113 53.0970 41.6488 174.4560 152 L 4.2155 8.6140 128.0754 54.0333 47.4601 174.4804 153 K 3.7862 8.1636 115.5079 57.2819 29.1049 173.8477 154 L 3.9662 7.4151 117.6049 55.3234 42.7355 177.4564 155 F 4.1086 8.6267 120.9920 58.4406 35.7621 174.7133 156 V 4.2626 7.5685 118.8734 61.2347 33.4848 174.6789 *158 T 4.2228 7.9633 113.0543 61.1952 69.7297 173.6454 159 D 4.5278 8.7965 121.7651 57.6486 41.3512 177.9268 160 E 4.1268 8.4603 119.3028 59.5508 29.8604 178.9821 161 E 4.1613 8.1692 114.6867 57.5031 29.2878 178.4884 *163 N 4.6005 8.2552 117.5593 53.5327 40.4514 176.0012 164 F 3.9095 8.0207 119.1759 62.2198 38.9890 176.7269 165 Y 3.7405 8.3530 115.4612 61.0877 37.5311 178.8683 166 A 4.0889 7.6987 120.4285 55.0464 18.5339 178.8808 167 N 4.3778 7.8557 113.5913 53.9024 39.2252 175.8570 168 L 3.4032 6.0433 117.7037 55.0180 42.2024 176.8652 169 K 4.4236 8.4901 120.1347 56.9351 34.9031 176.8055 170 T 4.9618 7.4228 107.1983 59.0316 73.2650 174.6451 171 I 4.2606 8.4331 114.8735 63.7079 37.5795 178.0326 172 E 3.9890 8.2552 120.7169 59.4537 29.4525 178.4791 173 Q 3.9981 7.9067 119.4276 59.4997 29.0930 177.6454 174 Y 4.2766 7.8261 120.4904 61.2500 38.8537 178.0945 175 N 4.2027 8.8059 117.3576 56.2474 38.5176 176.9093 176 D 4.4074 7.9189 119.8445 56.7671 40.9757 178.0210 177 Y 4.0057 8.3151 120.0788 60.5482 38.9614 178.1707 178 V 3.6635 7.8958 119.9403 64.0685 31.6979 178.2457 179 R 3.4161 7.5115 118.5983 59.1064 29.9613 177.3170 180 D 4.2971 8.2587 115.6554 54.4582 41.2644 175.8687 181 L 3.9283 8.2260 124.6942 55.9384 42.4662 174.1031 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 21 K 8.31 4.28 0.00 1.90 2.02 0.00 1.56 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.51 7.81 22 L 7.53 4.27 0.00 1.92 1.80 0.97 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 23 I 8.44 3.92 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 1.40 1.09 0.97 0.00 0.00 24 E 7.83 3.93 0.00 2.00 2.06 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 2.37 2.54 0.00 25 S 8.17 4.24 0.00 4.33 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 26 L 7.55 3.88 0.00 1.62 1.64 0.63 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 27 Q 7.70 4.22 0.00 2.24 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.41 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 28 E 8.00 4.81 0.00 2.05 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 2.35 2.24 0.00 29 N 8.21 5.04 0.00 2.85 3.13 0.00 0.00 6.21 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.62 4.74 0.00 1.91 1.77 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 2.32 2.32 0.00 31 L 8.21 4.66 0.00 1.33 1.25 0.80 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 32 L 7.82 4.73 0.00 1.43 1.47 0.94 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 33 N 8.90 4.58 0.00 2.98 2.90 0.00 0.00 6.51 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 34 T 8.30 3.85 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 1.20 0.00 0.00 35 D 8.10 4.35 0.00 2.79 2.69 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 36 E 8.80 3.95 0.00 1.97 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 2.33 2.53 0.00 37 K 8.09 4.01 0.00 1.79 2.00 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.42 1.42 7.81 38 K 7.94 3.85 0.00 1.91 1.92 0.00 1.72 0.00 0.00 1.55 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.61 7.81 39 K 8.23 3.84 0.00 1.98 1.96 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.49 7.81 40 I 7.70 3.70 1.99 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 1.76 0.82 0.88 0.00 0.00 41 I 7.69 3.66 1.96 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 1.61 0.88 0.86 0.00 0.00 42 D 8.46 4.33 0.00 2.62 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 43 Q 7.58 3.92 0.00 2.21 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.97 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 44 I 7.46 3.64 1.90 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.63 0.71 0.00 0.00 45 K 8.05 4.04 0.00 1.78 1.89 0.00 1.43 0.00 0.00 1.55 0.00 0.00 2.99 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.38 1.59 7.81 46 T 7.86 3.62 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 1.25 0.00 0.00 *48 H 8.09 4.51 0.00 3.11 3.41 0.00 5.67 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 49 D 7.96 4.38 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 50 F 7.70 4.12 0.00 3.16 2.92 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 51 F 7.81 4.65 0.00 3.24 3.37 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 0.00 52 K 7.99 4.34 0.00 1.88 1.91 0.00 1.68 0.00 0.00 1.74 0.00 0.00 3.18 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.30 7.81 53 Q 7.82 3.85 0.00 2.14 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.56 0.00 0.00 0.00 0.00 0.00 2.33 2.47 0.00 *55 H 8.00 4.76 0.00 3.30 3.66 0.00 5.66 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 T 6.96 4.41 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 1.15 0.00 0.00 57 N 7.53 4.38 0.00 2.60 2.73 0.00 0.00 6.71 7.04 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 58 K 8.16 3.98 0.00 1.85 1.78 0.00 1.79 0.00 0.00 1.83 0.00 0.00 3.17 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.52 7.81 59 G 8.08 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 60 A 8.47 3.84 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 61 L 7.91 3.66 0.00 1.54 1.57 0.68 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 62 D 8.04 4.28 0.00 3.10 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.41 3.69 0.00 1.83 1.95 0.00 1.83 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.41 7.81 64 V 7.41 3.37 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 0.05 0.00 0.00 0.78 0.00 0.00 65 L 7.85 3.93 0.00 1.98 1.96 0.82 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 66 R 8.11 3.74 0.00 1.65 1.66 0.00 2.85 0.00 0.00 2.87 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.64 0.00 67 N 8.55 5.05 0.00 2.97 2.93 0.00 0.00 6.84 7.47 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 68 Y 7.84 4.67 0.00 2.98 3.04 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 *70 K 8.17 4.29 0.00 1.34 1.68 0.00 1.48 0.00 0.00 1.36 0.00 0.00 2.49 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.16 0.75 7.81 71 D 7.50 4.97 0.00 2.67 2.51 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 72 Y 8.42 4.28 0.00 3.15 3.05 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 73 R 8.08 3.62 0.00 2.04 2.24 0.00 3.01 0.00 0.00 3.38 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.68 0.00 74 A 8.39 3.81 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 75 V 7.60 3.52 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 1.26 0.00 0.00 1.10 0.00 0.00 76 I 7.31 4.02 1.74 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.56 0.55 0.00 0.00 77 K 7.10 4.17 0.00 1.79 1.87 0.00 1.70 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.53 1.58 7.81 78 S 8.58 4.28 0.00 3.83 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 79 I 7.64 4.09 2.06 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 1.48 0.59 0.57 0.00 0.00 80 G 8.65 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 0.00 0.00 0.00 0.00 81 V 8.37 3.92 2.17 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 0.96 0.00 0.00 0.99 0.00 0.00 82 D 8.15 4.38 0.00 2.82 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 83 K 7.91 4.06 0.00 1.72 1.60 0.00 1.41 0.00 0.00 1.52 0.00 0.00 3.01 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.25 1.37 7.81 84 F 8.08 4.07 0.00 3.40 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 85 K 8.39 4.13 0.00 2.03 1.93 0.00 1.85 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.54 1.54 7.81 86 K 7.67 4.03 0.00 1.86 1.90 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.44 7.81 87 V 7.50 3.39 1.09 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 0.44 0.00 0.00 0.02 0.00 0.00 88 Y 7.55 4.03 0.00 3.21 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 89 R 7.82 3.70 0.00 1.95 1.85 0.00 3.10 0.00 0.00 3.04 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.93 0.00 90 L 7.65 4.05 0.00 1.70 1.77 0.93 0.67 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 91 L 8.24 4.08 0.00 1.54 0.78 0.71 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 92 E 8.40 4.26 0.00 2.31 2.17 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 2.30 2.28 0.00 93 S 7.72 4.27 0.00 4.08 3.98 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 94 E 8.41 4.44 0.00 2.48 2.50 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 2.83 2.67 0.00 95 T 8.16 3.87 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 0.96 0.00 0.00 *97 E 8.17 4.36 0.00 2.23 2.37 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 2.50 2.71 0.00 98 L 8.19 3.58 0.00 1.23 1.72 0.26 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 99 L 7.72 3.85 0.00 1.87 1.45 0.81 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 100 H 8.01 4.19 0.00 3.36 3.29 0.00 5.69 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 A 8.09 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 I 7.72 3.66 2.04 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 1.72 0.85 0.92 0.00 0.00 103 A 7.76 4.11 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 0.00 104 E 8.33 4.33 0.00 1.92 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 0.00 2.30 2.38 0.00 105 N 7.99 4.85 0.00 2.78 2.59 0.00 0.00 6.80 7.59 0.00 0.00 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 P 0.00 4.22 0.00 2.06 2.16 0.00 3.69 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 2.05 2.15 0.00 107 N 8.08 4.86 0.00 2.93 2.85 0.00 0.00 6.84 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 0.00 108 F 7.65 3.74 0.00 2.56 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 0.00 109 L 7.06 3.46 0.00 1.72 1.58 0.88 0.62 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 0.00 110 F 10.03 4.39 0.00 2.72 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 0.00 0.00 0.00 0.00 111 S 7.87 4.65 0.00 4.28 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 0.00 112 K 8.04 4.03 0.00 1.88 1.99 0.00 1.68 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.48 1.50 7.81 113 F 8.15 4.42 0.00 3.23 3.33 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 0.00 114 D 8.72 4.44 0.00 2.70 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.75 4.05 0.00 1.88 1.98 0.00 3.23 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 116 S 7.81 4.29 0.00 3.85 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 0.00 117 I 7.96 3.90 1.98 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.06 1.26 0.00 0.00 118 L 7.99 4.45 0.00 1.84 1.85 0.99 1.34 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 0.00 119 G 7.59 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 0.00 0.00 0.00 120 I 7.40 3.93 1.06 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 1.38 0.48 0.51 0.00 0.00 121 F 8.21 5.03 0.00 3.37 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 0.00 122 L 8.35 4.30 0.00 1.87 1.87 1.20 1.25 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 0.00 123 P 0.00 4.31 0.00 1.41 1.84 0.00 3.64 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.16 0.00 124 F 8.14 5.21 0.00 3.11 3.04 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 0.00 125 F 8.50 4.97 0.00 3.38 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 0.00 126 S 8.51 4.01 0.00 3.91 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 0.00 127 K 8.30 3.48 0.00 0.79 1.35 0.00 1.46 0.00 0.00 1.33 0.00 0.00 2.39 0.00 0.00 2.24 0.00 0.00 0.00 0.00 1.01 0.57 7.81 128 P 0.00 4.39 0.00 2.20 2.06 0.00 3.51 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.99 0.00 129 I 7.69 3.58 2.05 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 1.21 0.79 0.91 0.00 0.00 *131 F 7.93 5.39 0.00 3.11 3.16 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 0.00 132 K 7.86 4.03 0.00 1.91 1.80 0.00 1.91 0.00 0.00 1.77 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.37 7.81 *134 S 7.78 4.25 0.00 4.03 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 0.00 135 I 8.26 3.85 1.88 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 1.42 0.82 0.93 0.00 0.00 136 R 8.25 4.05 0.00 1.83 2.00 0.00 3.31 0.00 0.00 3.33 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.62 0.00 137 E 7.84 3.92 0.00 2.27 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 2.33 2.27 0.00 *139 D 8.22 4.45 0.00 2.87 2.76 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 0.00 140 S 8.11 4.24 0.00 4.11 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 0.00 141 Q 8.20 4.10 0.00 2.34 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.84 0.00 0.00 0.00 0.00 0.00 2.37 2.52 0.00 142 I 7.78 3.75 1.94 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.56 0.72 0.00 0.00 143 E 8.19 3.87 0.00 2.26 2.06 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 2.30 2.36 0.00 144 L 8.31 3.91 0.00 1.97 1.96 0.90 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 145 Y 8.57 3.95 0.00 3.25 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 0.00 146 G 8.29 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 0.00 0.00 0.00 147 T 7.47 4.24 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 1.24 0.00 0.00 148 K 8.06 4.03 0.00 1.57 1.77 0.00 1.57 0.00 0.00 1.58 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.39 7.81 149 L 7.46 4.09 0.00 1.79 1.77 0.79 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 150 P 0.00 3.51 0.00 2.17 2.03 0.00 3.71 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.24 0.00 151 L 7.39 4.41 0.00 1.63 1.67 0.91 0.87 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 0.00 152 L 8.61 4.22 0.00 1.64 1.78 0.86 0.67 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 0.00 153 K 8.16 3.79 0.00 1.87 1.79 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.83 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.39 7.81 154 L 7.42 3.97 0.00 1.38 0.67 0.74 0.69 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 0.00 155 F 8.63 4.11 0.00 3.31 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 0.00 156 V 7.57 4.26 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 0.87 0.00 0.00 0.98 0.00 0.00 *158 T 7.96 4.22 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 1.28 0.00 0.00 159 D 8.80 4.53 0.00 2.72 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 0.00 160 E 8.46 4.13 0.00 2.04 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 2.43 2.40 0.00 161 E 8.17 4.16 0.00 2.49 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 0.00 2.45 2.38 0.00 *163 N 8.26 4.60 0.00 3.08 2.94 0.00 0.00 6.62 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 0.00 164 F 8.02 3.91 0.00 3.09 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 0.00 165 Y 8.35 3.74 0.00 3.15 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 0.00 166 A 7.70 4.09 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 0.00 167 N 7.86 4.38 0.00 2.61 2.71 0.00 0.00 7.01 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 0.00 168 L 6.04 3.40 0.00 1.43 0.78 0.40 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 169 K 8.49 4.42 0.00 1.65 1.79 0.00 1.70 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.53 1.29 7.81 170 T 7.42 4.96 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 1.26 0.00 0.00 171 I 8.43 4.26 2.02 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 1.70 1.27 0.98 0.00 0.00 172 E 8.26 3.99 0.00 2.06 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 0.00 2.46 2.35 0.00 173 Q 7.91 4.00 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.75 0.00 0.00 0.00 0.00 0.00 2.30 2.47 0.00 174 Y 7.83 4.28 0.00 3.06 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 0.00 175 N 8.81 4.20 0.00 3.03 2.86 0.00 0.00 7.10 7.64 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 0.00 176 D 7.92 4.41 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 0.00 177 Y 8.32 4.01 0.00 3.21 3.14 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 0.00 178 V 7.90 3.66 1.71 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 0.43 0.00 0.00 0.69 0.00 0.00 179 R 7.51 3.42 0.00 2.02 2.00 0.00 3.22 0.00 0.00 3.10 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 180 D 8.26 4.30 0.00 2.57 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 0.00 181 L 8.23 3.93 0.00 1.60 1.50 0.88 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.