NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 5.0773 8.2516 120.4265 56.0310 33.8399 174.2554 2 R 4.2385 7.9811 120.0396 54.5944 33.5496 171.1944 3 L 5.2508 9.3452 129.0285 53.4384 44.7640 174.5886 4 F 4.9943 9.3517 124.1278 55.6988 43.4104 173.9917 5 G 4.6194 9.4981 105.7024 45.1312 0.0000 171.2846 6 Y 5.5892 9.0597 123.5700 55.5215 41.6989 174.3836 7 A 5.0878 8.3529 127.4651 48.9446 22.3863 174.6761 8 R 4.8595 8.4138 121.5453 54.7019 33.0824 174.5688 9 V 4.4153 8.4828 119.4070 59.6450 34.2867 177.1972 10 S 4.0651 8.9498 120.6376 62.1289 62.6576 175.4906 11 T 4.5104 7.6811 106.8258 61.1758 73.4147 175.7693 12 S 4.1742 8.0289 117.1899 58.2768 63.3663 173.8522 13 Q 4.0629 8.6237 131.3030 59.0299 28.7979 177.2808 14 Q 4.6741 8.0618 121.5639 59.0553 28.9392 179.0208 15 S 4.1915 8.1227 115.4481 61.0841 62.7938 176.4055 16 L 3.9705 7.7273 123.1011 58.0226 41.9366 178.3593 17 D 4.5125 7.9664 118.1756 56.2228 40.8525 178.7502 18 I 3.8130 7.4444 120.5514 64.1372 37.5032 177.9457 19 Q 3.9646 8.3528 119.2632 59.0671 28.5361 179.0207 20 V 3.6469 7.8822 121.6379 66.5999 31.4948 178.9207 21 R 3.8727 7.9464 119.7378 61.4248 29.3269 180.3898 22 A 4.2222 8.0101 121.9983 55.3198 18.2820 179.8320 23 L 3.9945 8.2538 117.3401 57.7114 41.6185 179.6533 24 K 4.5220 8.1613 119.9651 59.1260 31.7175 179.1004 25 D 4.3571 8.4369 118.4710 57.0727 40.8777 178.0402 26 A 4.2323 7.6480 119.0031 52.4708 18.5017 177.7902 27 G 3.9392 7.3681 104.4539 44.9955 0.0000 174.3358 28 V 3.8064 8.0869 121.5216 61.5427 32.2266 175.6930 29 K 4.1618 8.4416 126.4066 56.3522 32.6381 177.9497 30 A 3.9991 8.4839 124.9828 55.0143 18.5235 179.1394 31 N 4.4204 8.0281 111.2729 54.5735 37.6812 175.4921 32 R 4.5219 8.1152 118.0154 56.0377 31.8565 175.1619 33 I 4.7768 7.1859 121.4871 60.1149 38.2795 175.2570 34 F 5.0938 9.5258 126.2688 55.9675 42.4054 174.7042 35 T 5.2442 8.5316 110.2980 60.4369 72.5447 172.2170 36 D 5.2958 9.0422 121.9923 52.7455 45.1571 176.0525 37 K 5.3369 8.6755 119.2292 55.6927 34.0293 176.2510 *45 R 4.3950 7.6458 117.5751 56.7352 31.4130 177.4492 46 K 4.1710 8.3502 118.3451 58.8073 32.1848 178.6031 47 G 4.4942 8.4757 107.0528 47.4227 0.0000 175.2080 48 L 3.5995 8.5308 123.5213 57.7400 41.9066 178.8416 49 D 4.2982 8.0389 118.3498 56.9199 40.6803 178.8138 50 L 3.8567 8.0433 119.7964 57.7155 41.7284 179.0484 51 L 2.7823 7.0414 119.8083 57.9611 41.6071 179.1619 52 R 4.0040 7.6154 116.8079 59.5934 30.0438 178.5551 53 M 4.1622 7.4099 117.1318 57.3982 32.0932 178.3807 54 K 4.0809 7.5186 119.4768 58.3732 32.7124 177.8638 55 V 3.5637 6.6300 110.6710 61.3503 32.1507 174.6866 56 E 4.7235 9.1855 120.6679 53.9596 33.6424 174.7393 57 E 4.4622 8.1353 119.3700 57.7248 29.8779 177.3319 58 G 3.9960 9.3414 114.8273 45.2820 0.0000 173.0039 59 D 5.1285 8.0196 119.7773 54.2458 42.5972 175.5024 60 V 4.7667 9.0529 120.0765 61.3864 34.9488 174.0342 61 I 4.8347 8.8369 128.9232 59.7119 39.4732 174.4230 62 L 4.9354 8.9558 127.5149 53.2483 43.6358 175.7987 63 V 4.6363 8.5317 123.5462 60.9280 34.9149 176.0469 64 K 4.0531 8.9883 128.4655 59.1297 33.0105 176.6085 65 K 5.1711 7.9507 117.1414 54.1788 36.5906 177.0331 66 L 3.3799 9.2385 123.2456 58.1643 41.9253 178.4647 67 D 4.6636 7.9226 114.4665 54.2931 39.5879 177.1455 68 R 4.1739 8.0906 120.1366 59.0697 30.4306 177.7994 69 L 4.4148 8.2731 119.6352 57.7796 42.2832 176.6329 70 G 4.2111 7.7480 106.5491 45.0430 0.0000 173.7733 71 R 4.1062 9.3166 119.1073 58.4014 29.7033 177.6760 72 D 5.0055 7.5579 117.2203 50.6308 43.9725 175.9828 73 T 3.8764 8.6430 116.7715 67.1939 68.4607 176.4884 74 A 3.9674 7.9090 121.9640 55.0024 18.4966 179.0090 75 D 4.2305 7.9436 116.6084 57.7052 41.3233 178.1115 76 M 4.0701 8.3907 119.6348 58.7373 32.0153 178.8566 77 I 3.7295 7.9535 119.6738 64.5637 37.3970 178.5425 78 Q 3.9702 7.9783 118.5219 58.7714 28.4929 178.9186 79 L 3.6522 7.9924 119.9713 57.9020 41.6538 179.6474 80 I 3.9413 7.9303 119.6549 64.3699 36.9085 178.6082 81 K 4.0629 8.0712 119.2974 58.9118 31.6957 179.0583 82 E 3.8096 7.6568 118.7533 59.1155 29.7890 178.6421 83 F 4.5882 7.9114 117.8194 60.5878 39.0331 177.1112 84 D 4.4272 8.5379 118.8198 57.8097 40.5214 178.9279 85 A 4.0335 8.0620 119.6174 55.0571 18.6886 178.7220 86 Q 4.3880 8.3410 114.5073 55.3469 29.3435 176.3801 87 G 4.0920 8.2044 108.7758 46.4339 0.0000 172.8950 88 V 4.9666 7.8088 118.0900 60.6217 34.1616 174.5580 89 S 4.8450 8.6443 120.4098 56.6124 66.8941 172.5086 90 I 4.6908 9.0370 122.1253 59.6073 39.8445 174.7734 91 R 4.7257 8.5730 125.5025 54.5781 32.0584 175.3338 92 F 4.8847 9.0469 124.3989 56.1574 39.1713 176.9966 93 I 3.7419 9.2931 125.7743 64.6922 37.1895 178.9791 94 D 4.2893 8.7089 119.0633 56.6990 39.6978 177.3233 95 D 4.4961 8.0735 117.4578 54.1337 41.3084 178.0461 96 G 3.8977 7.7647 106.6828 45.6687 0.0000 173.1341 97 I 4.6632 7.1977 117.9154 59.5143 39.6925 174.7538 98 S 5.1622 8.5780 119.0683 56.7154 65.7473 173.2456 99 T 4.5604 8.7719 114.9124 61.5596 69.7337 173.5827 100 D 4.5221 8.5237 123.9614 55.2601 42.8084 175.8035 101 G 3.9140 8.5003 115.7143 46.7057 0.0000 175.1512 102 E 3.9148 8.9647 122.1167 59.5451 29.2553 178.1433 103 M 4.1448 8.2193 117.5935 58.4547 32.2418 178.3346 104 G 3.8389 7.6484 106.4486 46.9394 0.0000 176.0284 105 K 4.0074 8.0393 120.8870 59.4673 32.0944 178.9207 106 M 3.9572 8.1158 119.0772 58.8523 31.9254 178.9080 107 V 3.6354 7.9491 117.8261 66.1522 31.5181 178.3423 108 V 3.5838 7.7305 117.2839 66.2134 31.3123 177.9859 109 T 3.8627 8.2700 115.9323 66.9694 68.3435 176.6323 110 I 3.8042 8.2232 121.8559 64.2765 37.1877 178.5419 111 L 4.0459 8.1804 120.0049 57.6681 41.3970 179.6563 112 S 4.1191 8.4583 115.4312 61.6026 62.4927 176.6141 113 A 4.0117 7.7762 123.5725 55.1280 17.9936 179.9122 114 V 3.6197 7.8683 116.6699 65.9432 31.5792 178.1735 115 A 4.0760 8.6531 123.5953 55.6229 18.1871 180.2334 116 Q 3.9004 8.1916 119.0432 60.3088 28.1874 180.7028 117 A 4.2030 7.5315 121.9439 55.4891 18.2979 179.7620 118 E 3.9950 7.9190 116.3930 59.4500 29.2651 179.5984 119 R 3.9710 7.8473 118.1328 59.3590 30.1542 178.3210 120 Q 4.1976 8.1698 119.9281 59.4404 28.7476 179.0240 121 R 4.0971 8.1644 121.4195 61.2945 29.5070 179.5412 122 I 4.2041 7.9063 124.1772 61.6038 37.2460 175.8202 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 M 8.25 5.08 0.00 2.05 2.04 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.53 0.00 2 R 7.98 4.24 0.00 1.98 2.16 0.00 3.21 0.00 0.00 3.34 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.59 0.00 3 L 9.35 5.25 0.00 1.59 1.42 0.96 0.65 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 4 F 9.35 4.99 0.00 3.02 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 5 G 9.50 4.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 Y 9.06 5.59 0.00 2.99 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 7 A 8.35 5.09 1.14 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 0.00 0.00 8 R 8.41 4.86 0.00 1.46 1.70 0.00 3.31 0.00 0.00 3.41 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.75 0.00 9 V 8.48 4.42 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 0.72 0.00 0.00 1.00 0.00 0.00 10 S 8.95 4.07 0.00 3.84 3.89 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 11 T 7.68 4.51 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 12 S 8.03 4.17 0.00 3.85 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 13 Q 8.62 4.06 0.00 2.12 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.66 0.00 0.00 0.00 0.00 0.00 2.42 2.36 0.00 14 Q 8.06 4.67 0.00 2.15 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.68 0.00 0.00 0.00 0.00 0.00 2.43 2.33 0.00 15 S 8.12 4.19 0.00 3.91 3.88 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 16 L 7.73 3.97 0.00 1.89 1.69 0.95 0.96 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 17 D 7.97 4.51 0.00 2.66 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 18 I 7.44 3.81 1.91 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 1.63 0.86 0.90 0.00 0.00 19 Q 8.35 3.96 0.00 2.03 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.89 0.00 0.00 0.00 0.00 0.00 2.36 2.47 0.00 20 V 7.88 3.65 2.10 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 1.03 0.00 0.00 0.92 0.00 0.00 21 R 7.95 3.87 0.00 1.90 1.92 0.00 3.35 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.00 22 A 8.01 4.22 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 23 L 8.25 3.99 0.00 1.69 1.72 0.96 1.17 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 24 K 8.16 4.52 0.00 1.94 1.84 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.47 7.81 25 D 8.44 4.36 0.00 2.73 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 26 A 7.65 4.23 1.33 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 27 G 7.37 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 V 8.09 3.81 2.14 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 0.91 0.00 0.00 0.96 0.00 0.00 29 K 8.44 4.16 0.00 1.77 1.85 0.00 1.55 0.00 0.00 1.73 0.00 0.00 2.92 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.45 1.44 7.81 30 A 8.48 4.00 1.24 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 0.00 0.00 0.00 31 N 8.03 4.42 0.00 2.78 2.89 0.00 0.00 5.86 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 32 R 8.12 4.52 0.00 1.68 1.57 0.00 2.76 0.00 0.00 2.38 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.35 0.00 33 I 7.19 4.78 1.78 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.63 0.90 0.00 0.00 34 F 9.53 5.09 0.00 3.29 3.28 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 35 T 8.53 5.24 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 1.17 0.00 0.00 36 D 9.04 5.30 0.00 2.70 2.64 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 0.00 0.00 0.00 0.00 37 K 8.68 5.34 0.00 1.67 1.76 0.00 1.63 0.00 0.00 2.47 0.00 0.00 2.79 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.31 1.34 7.81 *45 R 7.65 4.39 0.00 1.94 1.93 0.00 3.25 0.00 0.00 3.33 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 46 K 8.35 4.17 0.00 1.86 1.91 0.00 1.78 0.00 0.00 1.86 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.56 1.48 7.81 47 G 8.48 4.49 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 0.00 0.00 0.00 48 L 8.53 3.60 0.00 1.62 1.74 0.33 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 49 D 8.04 4.30 0.00 2.87 2.66 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 0.00 0.00 0.00 0.00 50 L 8.04 3.86 0.00 1.82 1.72 1.14 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 51 L 7.04 2.78 0.00 0.90 1.41 0.43 0.78 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 52 R 7.62 4.00 0.00 1.90 1.86 0.00 3.04 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.73 0.00 53 M 7.41 4.16 0.00 1.90 2.16 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.76 0.00 54 K 7.52 4.08 0.00 1.73 1.54 0.00 1.76 0.00 0.00 1.82 0.00 0.00 3.40 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.77 1.83 7.81 55 V 6.63 3.56 1.83 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 -0.09 0.00 0.00 0.94 0.00 0.00 56 E 9.19 4.72 0.00 2.11 1.81 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 2.23 2.23 0.00 57 E 8.14 4.46 0.00 1.93 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 2.31 2.50 0.00 58 G 9.34 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 59 D 8.02 5.13 0.00 2.70 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 60 V 9.05 4.77 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 1.03 0.00 0.00 0.92 0.00 0.00 61 I 8.84 4.83 1.55 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.27 0.83 0.00 0.00 62 L 8.96 4.94 0.00 1.57 1.57 0.91 0.44 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 63 V 8.53 4.64 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 1.07 0.00 0.00 0.95 0.00 0.00 64 K 8.99 4.05 0.00 1.91 1.83 0.00 1.72 0.00 0.00 1.83 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.66 1.50 7.81 65 K 7.95 5.17 0.00 1.84 1.65 0.00 1.74 0.00 0.00 1.75 0.00 0.00 2.85 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.45 1.44 7.81 66 L 9.24 3.38 0.00 1.30 1.44 -0.07 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 67 D 7.92 4.66 0.00 2.82 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 68 R 8.09 4.17 0.00 2.00 2.07 0.00 3.35 0.00 0.00 3.15 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.81 0.00 69 L 8.27 4.41 0.00 1.99 1.97 1.05 1.12 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 70 G 7.75 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 0.00 0.00 0.00 71 R 9.32 4.11 0.00 1.79 1.86 0.00 3.21 0.00 0.00 3.27 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.44 0.00 72 D 7.56 5.01 0.00 2.79 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 73 T 8.64 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 1.25 0.00 0.00 74 A 7.91 3.97 1.37 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 0.00 0.00 75 D 7.94 4.23 0.00 2.77 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 76 M 8.39 4.07 0.00 2.09 2.29 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.65 0.00 77 I 7.95 3.73 1.98 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 1.07 0.91 0.00 0.00 78 Q 7.98 3.97 0.00 2.22 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.79 0.00 0.00 0.00 0.00 0.00 2.56 2.51 0.00 79 L 7.99 3.65 0.00 1.84 1.70 0.91 0.47 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 80 I 7.93 3.94 2.06 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.04 1.01 0.00 0.00 81 K 8.07 4.06 0.00 1.78 1.83 0.00 1.65 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.77 7.81 82 E 7.66 3.81 0.00 1.76 1.69 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 1.92 2.15 0.00 83 F 7.91 4.59 0.00 3.26 3.03 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 84 D 8.54 4.43 0.00 3.09 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 85 A 8.06 4.03 1.37 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 0.00 0.00 86 Q 8.34 4.39 0.00 2.27 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 5.75 0.00 0.00 0.00 0.00 0.00 2.32 2.56 0.00 87 G 8.20 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 0.00 0.00 0.00 88 V 7.81 4.97 2.27 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 0.52 0.00 0.00 0.94 0.00 0.00 89 S 8.64 4.84 0.00 3.89 3.88 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 90 I 9.04 4.69 1.53 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.66 0.05 0.00 0.00 91 R 8.57 4.73 0.00 1.60 1.78 0.00 3.26 0.00 0.00 3.11 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.69 0.00 92 F 9.05 4.88 0.00 3.16 3.19 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 93 I 9.29 3.74 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 1.31 0.86 0.94 0.00 0.00 94 D 8.71 4.29 0.00 2.80 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 95 D 8.07 4.50 0.00 2.80 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 96 G 7.76 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 0.00 0.00 0.00 97 I 7.20 4.66 2.06 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.00 1.04 0.00 0.00 98 S 8.58 5.16 0.00 3.84 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 99 T 8.77 4.56 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 1.37 0.00 0.00 100 D 8.52 4.52 0.00 2.78 2.60 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 0.00 101 G 8.50 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 0.00 0.00 0.00 102 E 8.96 3.91 0.00 2.00 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 2.41 2.32 0.00 103 M 8.22 4.14 0.00 2.19 2.10 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 2.70 2.80 0.00 104 G 7.65 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 0.00 105 K 8.04 4.01 0.00 1.81 1.88 0.00 1.73 0.00 0.00 1.66 0.00 0.00 3.16 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.80 1.99 7.81 106 M 8.12 3.96 0.00 2.03 2.33 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 2.64 2.73 0.00 107 V 7.95 3.64 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 1.12 0.00 0.00 1.01 0.00 0.00 108 V 7.73 3.58 2.24 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 1.08 0.00 0.00 0.99 0.00 0.00 109 T 8.27 3.86 4.40 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 1.21 0.00 0.00 110 I 8.22 3.80 1.95 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 0.79 0.90 0.00 0.00 111 L 8.18 4.05 0.00 1.72 1.71 0.94 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 112 S 8.46 4.12 0.00 4.02 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 0.00 113 A 7.78 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 0.00 114 V 7.87 3.62 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 0.99 0.00 0.00 0.97 0.00 0.00 115 A 8.65 4.08 1.37 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 0.00 0.00 116 Q 8.19 3.90 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.63 0.00 0.00 0.00 0.00 0.00 2.29 2.25 0.00 117 A 7.53 4.20 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 0.00 118 E 7.92 4.00 0.00 2.14 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 2.32 2.52 0.00 119 R 7.85 3.97 0.00 1.82 2.06 0.00 3.26 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 120 Q 8.17 4.20 0.00 2.29 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.74 6.74 0.00 0.00 0.00 0.00 0.00 2.39 2.52 0.00 121 R 8.16 4.10 0.00 1.87 1.85 0.00 3.27 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 122 I 7.91 4.20 1.99 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 1.38 0.81 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.