NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 L 4.2789 8.1693 120.6240 54.8392 43.3543 176.6623 13 T 4.1620 7.9083 111.7857 60.4275 71.5421 174.4163 14 R 3.6976 9.1120 122.1574 59.6570 30.3318 180.6808 15 T 3.8788 7.7878 114.9405 66.8701 68.5628 176.3642 16 Q 3.9927 7.9811 119.7685 59.1891 28.5142 179.4125 17 R 4.3806 7.9632 120.1877 58.7462 30.1083 179.2567 18 R 4.1344 8.4587 118.0649 59.4629 30.0477 179.0337 19 I 3.8015 8.1175 119.4559 64.5009 37.0722 178.2591 20 A 4.2367 8.2255 121.5520 55.2203 18.1366 179.9737 21 V 3.6676 7.8461 116.7615 66.0694 31.5933 178.2646 22 V 3.5828 8.0085 118.1014 66.2414 31.4370 177.6124 23 E 4.1465 8.7131 119.0617 59.1598 29.2660 178.4551 24 F 3.8489 8.0341 119.4032 61.2908 39.8029 176.7034 25 I 3.2356 7.9740 119.6797 64.2386 36.5018 177.8458 26 F 4.2362 8.4638 121.9530 61.7397 38.9081 177.4738 27 S 4.1882 7.8837 111.7452 60.9965 63.1253 175.8214 28 L 4.3091 7.7240 122.5378 56.9219 41.3635 178.6956 29 L 4.0484 7.2811 117.2994 56.8189 41.5280 178.7458 30 F 4.0089 7.7854 116.4560 58.7332 39.0349 175.3096 31 F 5.0129 7.9448 117.2341 57.0271 40.1396 175.0057 32 L 4.4240 8.0128 119.6244 53.6008 42.6257 174.7092 33 P 4.8696 0.0000 0.0000 61.4061 33.2113 174.9642 34 K 4.7269 8.0234 117.4761 53.8580 35.9034 176.8901 35 E 4.1249 8.5076 120.3615 55.9268 31.4208 177.9443 36 A 3.9684 8.5979 124.4352 55.8760 18.3711 180.3087 37 E 4.0226 8.1436 116.1309 59.1648 29.5317 179.5618 38 V 3.6359 7.7784 118.1637 66.0391 31.5770 177.9938 39 I 3.8975 7.7890 119.3257 64.5403 36.4668 178.2620 40 Q 4.0949 8.1962 118.6860 59.2651 28.4840 179.1655 41 A 4.1604 8.5418 121.8956 55.1081 18.2504 179.3972 42 D 4.4624 8.7971 118.1660 57.5445 40.6800 178.6335 43 F 3.8544 8.5170 120.5572 61.1874 39.5194 176.8158 44 L 4.0395 7.7492 117.6086 57.8888 41.2663 179.2200 45 E 4.1657 7.8603 116.7356 58.6056 29.5128 177.9873 46 Y 4.3343 7.5447 118.5418 58.4788 39.3300 175.0645 47 D 4.2865 7.0822 119.0545 54.6891 42.1163 174.8530 48 T 4.6178 7.8745 113.2800 59.8552 72.0190 174.6694 49 K 3.8755 8.8033 121.3247 59.9210 31.9883 178.4810 50 E 4.1298 8.0126 115.8569 58.9835 29.7628 178.4640 51 R 3.9966 7.5317 116.0768 57.2466 30.8253 176.6774 52 Q 3.2572 7.9294 115.4647 56.3254 26.7907 174.7443 53 L 3.9702 8.3532 116.9483 55.1819 42.6756 177.9093 54 N 5.0619 8.4938 120.5247 50.9467 41.3669 175.4278 55 E 4.0994 8.6594 118.9194 59.0244 28.9399 179.2325 56 W 4.2346 8.4400 128.2032 60.8230 30.6630 177.9293 57 Q 4.0534 8.7561 117.8901 58.9599 28.3462 178.8734 58 K 4.1628 8.3220 119.3353 59.1927 32.0183 179.1234 59 L 4.0100 7.9778 120.9444 57.7406 41.8881 178.9867 60 I 3.5070 7.1377 118.7850 64.3614 36.9998 178.6364 61 V 3.5091 7.5028 118.9425 65.4216 31.0155 178.1042 62 K 3.9225 7.9388 119.1892 59.3464 31.8713 178.6772 63 A 3.9753 7.7092 119.8486 55.0245 18.4564 178.9461 64 F 4.3918 8.5396 119.5904 61.6689 39.2857 177.5813 65 S 3.8189 8.2142 112.3854 60.8729 62.8201 175.3787 66 E 4.3351 7.6029 119.8397 56.4867 29.9087 176.3169 67 N 4.6304 7.1177 115.2406 52.0063 40.1853 175.9724 68 I 3.3976 7.3550 120.9094 63.9346 37.9965 177.4706 69 F 3.8129 8.0276 121.0123 61.4039 39.1847 177.2326 70 S 4.2092 7.9376 114.1341 61.5509 62.7434 176.2996 71 F 4.5003 8.1092 120.5865 61.0214 38.6782 177.7604 72 Q 3.9717 8.4241 117.7925 58.6817 28.4468 178.9022 73 K 3.8025 7.8532 120.2903 59.5146 32.1154 178.7514 74 K 3.8901 8.2102 117.7485 60.0553 32.3156 178.8155 75 I 3.6972 8.2690 119.8696 64.2411 37.0975 178.3833 76 E 3.7648 8.2897 119.8433 59.3214 29.9266 179.1238 77 E 4.2709 8.2611 117.6665 57.9516 29.5205 178.7751 78 Q 3.8723 7.7990 119.5559 59.0466 29.4653 177.2202 79 Q 4.1289 8.0476 118.8863 59.0791 28.5400 178.9967 80 L 3.9354 7.2012 117.6338 59.0323 40.4697 179.1165 81 K 4.2222 7.8309 118.7338 57.4281 32.9426 177.5509 82 N 4.7330 7.6596 116.8543 52.3486 37.9019 174.9072 83 Q 4.5633 7.8670 128.8501 54.6041 30.0964 174.8552 84 L 4.3818 7.7142 117.2813 54.6866 43.2264 176.6354 85 E 4.5146 8.6756 116.4733 57.7304 31.4529 176.1717 86 I 4.6898 7.1660 116.0870 60.7256 41.1988 174.8903 87 Q 4.6095 8.3026 116.9314 56.5829 29.0140 175.1015 88 T 4.3713 7.6202 110.4187 63.7082 69.4503 175.9536 *97 K 4.0318 7.6897 123.3630 55.7488 32.0497 174.1958 98 I 3.6700 7.9426 121.1856 60.5900 38.8853 175.8836 99 D 4.7118 8.1589 126.5145 53.2403 43.7892 177.3157 100 L 4.0228 8.2046 120.6815 57.2284 41.5625 179.4604 101 L 3.5851 8.0900 120.3919 58.1692 42.0970 178.9328 102 T 3.8218 9.3848 110.9359 65.0060 68.6002 176.6412 103 T 3.8294 8.0890 118.3915 66.4208 68.5717 176.4812 104 A 4.0679 8.0686 122.7414 55.0136 18.2205 179.8735 105 V 3.5281 7.9200 116.9221 66.1393 31.6306 178.5369 106 V 3.5656 7.7415 117.9860 66.0273 31.4324 178.0642 107 L 4.0299 8.4386 119.0708 57.6741 41.2985 179.1371 108 C 4.0756 7.9958 118.3550 62.2253 31.4924 175.3851 109 A 3.9484 7.7262 122.5091 55.1320 18.0853 179.5975 110 L 3.6255 7.6251 117.4005 57.9957 41.5665 180.0328 111 S 4.4134 8.0314 115.0615 61.4863 62.6584 176.3600 112 E 3.8638 8.3880 122.3434 59.0694 29.4370 178.5104 113 Q 3.9649 8.2099 119.7566 58.8254 28.8284 178.2092 114 K 3.9376 7.7922 119.5692 59.4415 32.4024 178.4468 115 A 4.0852 7.8685 119.6937 54.5857 17.6814 178.3350 116 H 4.8386 8.3684 112.1377 54.3354 30.2144 174.4457 117 N 4.3227 8.1197 116.8219 54.2072 36.4442 174.6726 118 T 4.0295 7.1882 111.2001 63.8011 69.4618 174.6846 119 D 4.5738 8.4787 123.6317 53.5235 43.4545 177.0182 120 K 3.8442 8.6373 125.2622 59.4593 32.1680 177.2138 121 P 4.2501 0.0000 0.0000 65.4881 31.3111 178.3309 122 L 3.9809 7.8788 118.6049 58.0553 42.0171 178.8148 123 L 4.0277 7.8280 118.4842 57.8554 41.6127 179.5961 124 I 3.6928 7.8639 119.8220 64.3147 37.0360 178.5314 125 S 4.1101 8.0318 115.0390 61.6599 62.7293 175.9933 126 E 3.8918 8.3286 123.1259 58.8280 29.3210 178.7012 127 A 4.0423 8.1844 120.8553 55.1903 18.4433 179.6547 128 L 4.0252 8.1263 117.5208 57.5906 41.7945 179.4184 129 L 4.0112 8.1160 120.7509 58.1314 42.0560 179.1085 130 I 3.8419 7.8343 119.9623 64.4019 36.9913 178.2344 131 M 4.1963 8.2574 119.7129 58.5387 31.7442 178.5035 132 D 4.3507 8.2074 119.0879 57.6241 40.7597 178.2091 133 H 4.0320 7.8848 117.4154 58.9212 29.7747 175.8613 134 Y 4.4753 7.5397 116.0759 57.0116 39.1357 176.5281 135 S 3.7295 7.8386 113.5813 59.6985 61.6190 172.4073 136 Q 4.0415 8.7104 125.4581 59.3076 29.3170 179.3245 137 G 3.8169 8.1698 102.8492 46.8771 0.0000 173.4082 138 A 4.7367 7.2040 117.0259 51.4287 19.5369 179.3035 139 E 3.9039 8.4420 121.4271 61.2119 29.5702 179.1885 140 K 3.9362 8.1018 116.6219 58.7756 32.4513 177.5932 141 K 4.2666 7.6936 120.2244 53.8265 30.5679 175.2848 142 Q 3.8519 7.6076 121.3712 55.6009 30.0697 178.4524 143 T 4.2328 8.2111 113.8334 66.8191 68.0207 177.2978 144 H 4.5767 7.8564 111.6132 56.1451 26.0366 176.0957 145 A 4.1437 8.4575 129.8428 54.4415 18.5383 178.3350 146 L 4.2420 7.8681 115.1499 57.2183 42.1272 178.2265 147 L 4.1877 7.6256 117.1835 56.4428 41.9969 176.8774 148 D 4.8188 7.8091 117.1685 52.5044 42.5191 175.5239 149 K 4.3958 7.8233 120.8124 55.4431 33.9451 176.0593 150 L 4.3667 8.2599 124.8773 53.7445 43.1162 176.1984 151 L 4.1951 8.3622 124.7875 55.1819 41.4471 176.8391 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 12 L 8.17 4.28 0.00 1.64 1.67 0.99 0.56 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 13 T 7.91 4.16 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 1.18 0.00 0.00 14 R 9.11 3.70 0.00 1.67 1.81 0.00 2.38 0.00 0.00 2.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.30 0.00 15 T 7.79 3.88 4.23 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 1.20 0.00 0.00 16 Q 7.98 3.99 0.00 2.28 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 17 R 7.96 4.38 0.00 2.27 2.37 0.00 3.09 0.00 0.00 3.29 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.60 0.00 18 R 8.46 4.13 0.00 2.18 2.10 0.00 3.26 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.20 0.00 19 I 8.12 3.80 2.02 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.73 0.84 0.00 0.00 20 A 8.23 4.24 1.60 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 21 V 7.85 3.67 2.26 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 0.89 0.00 0.00 1.09 0.00 0.00 22 V 8.01 3.58 2.40 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 1.03 0.00 0.00 0.99 0.00 0.00 23 E 8.71 4.15 0.00 2.53 2.33 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 2.69 2.77 0.00 24 F 8.03 3.85 0.00 2.68 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 25 I 7.97 3.24 1.81 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.07 0.43 0.65 0.00 0.00 26 F 8.46 4.24 0.00 3.06 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 27 S 7.88 4.19 0.00 4.15 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 28 L 7.72 4.31 0.00 1.80 1.73 0.62 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 29 L 7.28 4.05 0.00 1.22 1.46 0.89 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 30 F 7.79 4.01 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 0.00 0.00 0.00 31 F 7.94 5.01 0.00 3.02 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 32 L 8.01 4.42 0.00 1.61 1.59 0.92 1.15 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 33 P 0.00 4.87 0.00 2.18 2.07 0.00 3.73 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.00 0.00 34 K 8.02 4.73 0.00 1.74 1.74 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.35 1.46 7.81 35 E 8.51 4.12 0.00 1.98 1.86 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 2.40 2.32 0.00 36 A 8.60 3.97 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 37 E 8.14 4.02 0.00 2.04 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 2.41 2.36 0.00 38 V 7.78 3.64 2.30 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 1.15 0.00 0.00 0.95 0.00 0.00 39 I 7.79 3.90 2.14 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 1.64 0.55 1.30 0.00 0.00 40 Q 8.20 4.09 0.00 2.35 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.44 2.62 0.00 41 A 8.54 4.16 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 42 D 8.80 4.46 0.00 3.27 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 43 F 8.52 3.85 0.00 2.66 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 44 L 7.75 4.04 0.00 1.93 1.70 0.95 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 45 E 7.86 4.17 0.00 2.15 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 2.38 2.52 0.00 46 Y 7.54 4.33 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 47 D 7.08 4.29 0.00 2.52 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.87 4.62 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 1.08 0.00 0.00 49 K 8.80 3.88 0.00 1.71 1.94 0.00 1.59 0.00 0.00 1.68 0.00 0.00 2.84 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.54 7.81 50 E 8.01 4.13 0.00 1.91 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 2.29 2.30 0.00 51 R 7.53 4.00 0.00 1.70 1.89 0.00 2.94 0.00 0.00 2.79 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.50 0.00 52 Q 7.93 3.26 0.00 2.14 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 53 L 8.35 3.97 0.00 1.54 1.46 0.86 0.57 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 54 N 8.49 5.06 0.00 3.04 2.99 0.00 0.00 6.28 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 55 E 8.66 4.10 0.00 2.10 2.13 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 0.00 2.46 2.37 0.00 56 W 8.44 4.23 0.00 3.39 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 57 Q 8.76 4.05 0.00 2.62 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.57 0.00 0.00 0.00 0.00 0.00 2.72 2.96 0.00 58 K 8.32 4.16 0.00 2.11 1.97 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.73 1.78 7.81 59 L 7.98 4.01 0.00 1.97 1.43 0.80 1.04 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 60 I 7.14 3.51 1.78 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.04 0.77 0.00 0.00 61 V 7.50 3.51 1.49 0.00 0.00 0.00 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 -0.43 0.00 0.00 62 K 7.94 3.92 0.00 1.98 1.99 0.00 1.70 0.00 0.00 1.65 0.00 0.00 3.06 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.45 7.81 63 A 7.71 3.98 1.44 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 0.00 0.00 0.00 0.00 0.00 0.00 64 F 8.54 4.39 0.00 3.19 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 65 S 8.21 3.82 0.00 4.17 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 66 E 7.60 4.34 0.00 1.80 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 2.23 2.38 0.00 67 N 7.12 4.63 0.00 1.54 1.42 0.00 0.00 6.48 7.23 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 68 I 7.35 3.40 1.17 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.50 0.69 0.00 0.00 69 F 8.03 3.81 0.00 3.11 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 70 S 7.94 4.21 0.00 3.78 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 71 F 8.11 4.50 0.00 2.98 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 72 Q 8.42 3.97 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.45 0.00 73 K 7.85 3.80 0.00 2.11 1.80 0.00 1.48 0.00 0.00 1.21 0.00 0.00 3.12 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.50 7.81 74 K 8.21 3.89 0.00 1.94 1.90 0.00 1.93 0.00 0.00 1.77 0.00 0.00 3.10 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.52 1.68 7.81 75 I 8.27 3.70 2.02 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 1.39 0.91 0.89 0.00 0.00 76 E 8.29 3.76 0.00 2.21 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 2.27 2.35 0.00 77 E 8.26 4.27 0.00 2.05 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 2.28 2.44 0.00 78 Q 7.80 3.87 0.00 2.14 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.86 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 79 Q 8.05 4.13 0.00 2.25 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.64 0.00 0.00 0.00 0.00 0.00 2.45 2.40 0.00 80 L 7.20 3.94 0.00 1.82 1.79 0.91 0.72 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 81 K 7.83 4.22 0.00 1.92 2.03 0.00 1.78 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.44 1.47 7.81 82 N 7.66 4.73 0.00 2.94 2.78 0.00 0.00 6.73 7.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 Q 7.87 4.56 0.00 1.97 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.84 7.06 0.00 0.00 0.00 0.00 0.00 2.25 2.46 0.00 84 L 7.71 4.38 0.00 1.64 1.61 0.92 0.94 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 85 E 8.68 4.51 0.00 1.90 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 2.20 2.34 0.00 86 I 7.17 4.69 1.87 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 1.30 0.48 0.91 0.00 0.00 87 Q 8.30 4.61 0.00 1.96 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.92 7.34 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 88 T 7.62 4.37 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 *97 K 7.69 4.03 0.00 1.73 1.78 0.00 1.77 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.42 7.81 98 I 7.94 3.67 2.11 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 1.17 0.92 0.91 0.00 0.00 99 D 8.16 4.71 0.00 2.73 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 0.00 100 L 8.20 4.02 0.00 1.74 1.63 0.25 0.27 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 0.00 101 L 8.09 3.59 0.00 1.07 1.54 -0.19 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 102 T 9.38 3.82 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 1.26 0.00 0.00 103 T 8.09 3.83 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 0.00 104 A 8.07 4.07 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 0.00 105 V 7.92 3.53 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 0.99 0.00 0.00 0.96 0.00 0.00 106 V 7.74 3.57 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 0.97 0.00 0.00 0.99 0.00 0.00 107 L 8.44 4.03 0.00 1.76 1.98 1.08 1.00 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 0.00 108 C 8.00 4.08 0.00 3.07 3.08 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 0.00 109 A 7.73 3.95 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 0.00 110 L 7.63 3.63 0.00 1.06 0.13 0.60 0.51 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 0.00 111 S 8.03 4.41 0.00 4.07 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 0.00 112 E 8.39 3.86 0.00 1.97 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 2.34 2.21 0.00 113 Q 8.21 3.96 0.00 2.21 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.59 0.00 0.00 0.00 0.00 0.00 2.36 2.49 0.00 114 K 7.79 3.94 0.00 2.08 2.19 0.00 1.79 0.00 0.00 1.82 0.00 0.00 3.14 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.59 1.55 7.81 115 A 7.87 4.09 1.10 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 0.00 116 H 8.37 4.84 0.00 3.28 3.42 0.00 5.76 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 N 8.12 4.32 0.00 2.94 2.96 0.00 0.00 6.97 7.56 0.00 0.00 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 T 7.19 4.03 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 1.34 0.00 0.00 119 D 8.48 4.57 0.00 2.73 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.64 3.84 0.00 2.07 1.81 0.00 1.88 0.00 0.00 1.90 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.55 7.81 121 P 0.00 4.25 0.00 2.20 2.09 0.00 3.62 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 2.12 2.15 0.00 122 L 7.88 3.98 0.00 1.77 1.84 0.97 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 0.00 123 L 7.83 4.03 0.00 1.95 1.71 0.97 0.63 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 0.00 124 I 7.86 3.69 1.87 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 1.56 0.91 0.90 0.00 0.00 125 S 8.03 4.11 0.00 4.07 4.13 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 0.00 0.00 0.00 0.00 126 E 8.33 3.89 0.00 2.41 2.04 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 2.37 2.42 0.00 127 A 8.18 4.04 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 0.00 128 L 8.13 4.03 0.00 1.87 1.73 0.92 0.35 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 0.00 129 L 8.12 4.01 0.00 1.96 1.80 0.92 0.94 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 0.00 130 I 7.83 3.84 2.10 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.16 1.12 0.00 0.00 131 M 8.26 4.20 0.00 2.07 2.29 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.93 0.00 132 D 8.21 4.35 0.00 2.91 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 0.00 133 H 7.88 4.03 0.00 3.08 3.36 0.00 5.74 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 Y 7.54 4.48 0.00 3.00 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 S 7.84 3.73 0.00 4.06 4.10 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 0.00 136 Q 8.71 4.04 0.00 2.25 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.29 0.00 0.00 0.00 0.00 0.00 2.56 2.42 0.00 137 G 8.17 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 0.00 138 A 7.20 4.74 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 0.00 139 E 8.44 3.90 0.00 1.96 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 0.00 2.33 2.39 0.00 140 K 8.10 3.94 0.00 1.73 1.89 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.43 7.81 141 K 7.69 4.27 0.00 1.70 1.72 0.00 1.63 0.00 0.00 1.92 0.00 0.00 3.13 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.41 7.81 142 Q 7.61 3.85 0.00 2.15 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.31 0.00 0.00 0.00 0.00 0.00 2.50 2.35 0.00 143 T 8.21 4.23 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 1.20 0.00 0.00 144 H 7.86 4.58 0.00 3.28 3.41 0.00 5.90 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 A 8.46 4.14 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 0.00 146 L 7.87 4.24 0.00 1.67 1.73 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 147 L 7.63 4.19 0.00 1.65 1.68 0.87 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 148 D 7.81 4.82 0.00 2.65 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 K 7.82 4.40 0.00 1.75 1.81 0.00 1.61 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.49 1.40 7.81 150 L 8.26 4.37 0.00 1.61 1.61 0.98 1.02 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 0.00 151 L 8.36 4.20 0.00 1.64 1.58 0.94 1.18 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 * Residues marked with a * may have inaccurate shift predictions.