NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3014 8.2649 123.5745 51.9072 20.5224 177.8612 3 L 4.1008 8.3946 113.3168 53.7623 42.4233 175.0494 4 G 4.0995 7.6834 105.2778 44.2626 0.0000 170.9277 5 F 3.9637 8.3067 122.4822 58.7553 39.6750 171.4983 6 G 3.1708 7.4662 122.7980 45.1665 0.0000 172.5432 *10 E 4.0294 8.2099 125.3569 55.0753 31.3745 175.4862 11 L 4.0822 8.3672 127.7629 58.3796 42.3198 178.6582 12 Q 4.0034 8.0987 118.9820 59.3804 28.9661 177.9111 13 Q 3.9568 8.5905 120.6134 59.0243 29.0073 177.8979 14 F 4.1142 8.0756 121.7972 61.4651 39.4888 177.1521 15 L 4.0023 8.2366 118.4961 57.8594 41.5226 179.2972 16 D 4.3217 8.4790 118.9643 57.2021 40.6658 178.7007 17 A 3.9128 8.2200 121.6450 55.0652 18.1817 179.3353 18 L 3.6612 7.6500 117.8081 58.2784 42.1067 178.8368 19 A 4.1089 7.7796 119.8413 54.6637 18.3249 179.3138 20 S 4.3382 7.5836 110.5297 60.1886 63.9239 175.0269 21 S 4.7872 8.1273 117.4532 55.5951 63.0877 172.8028 22 P 4.1005 0.0000 0.0000 65.5074 31.6060 178.9349 23 E 4.2302 7.3550 117.8680 55.8125 28.8200 176.9225 *25 I 3.9226 7.6882 119.1977 62.4898 38.7417 175.1225 26 E 4.6460 8.3645 123.8919 54.3699 31.5428 176.6994 27 F 4.2531 8.8612 123.7007 61.5783 39.5264 176.6393 28 E 3.9396 8.1431 118.4256 59.4696 29.9250 178.5456 29 T 3.9140 7.8593 115.3826 67.1222 68.7719 177.1549 30 T 2.8922 7.6085 114.7975 64.3863 68.6425 175.7253 *32 A 4.0599 8.1241 126.0478 52.2433 20.6266 180.0031 33 V 3.3597 7.3603 114.8834 66.0931 31.4851 178.3390 34 I 3.7873 7.4037 119.6690 64.3940 36.6752 178.2652 35 E 3.9465 7.8255 117.6384 59.6614 29.4403 178.8332 36 D 4.4389 8.1098 117.6672 56.3290 40.8288 177.4539 37 N 4.6310 7.9731 114.4287 52.3403 39.6860 173.6151 38 Y 4.9853 7.2125 116.5364 56.2784 42.6274 174.2844 39 D 4.9164 9.3094 122.2434 53.1872 42.7929 175.2541 40 F 5.5286 8.9281 125.9651 56.8686 41.3435 174.7898 41 T 4.3338 8.2309 115.6712 58.5862 71.7993 171.7078 42 P 4.5275 0.0000 0.0000 63.2732 32.2393 175.3671 43 A 4.8421 8.3884 121.4121 50.5768 22.3241 175.9564 44 A 4.6185 8.8766 124.1799 52.1346 19.9890 176.3937 45 F 5.3199 8.9965 115.4878 55.7398 41.7377 173.5475 46 T 4.5507 8.8778 111.8412 60.8604 71.5245 173.5282 47 N 5.3672 9.0371 122.2349 52.6298 40.5310 176.7441 48 G 3.8714 9.0357 117.4813 45.7538 0.0000 171.8919 49 N 4.6999 7.8056 119.9610 52.8396 38.8349 174.2580 50 T 4.5873 7.8016 113.5682 60.0006 70.0695 172.2923 51 Q 4.6490 8.2466 126.5463 54.2192 32.3944 173.8351 52 N 5.0436 8.4921 123.0439 51.2673 41.6918 174.2043 53 D 4.9282 9.0545 123.5656 53.4740 42.5487 175.8991 54 A 4.3529 8.4950 122.9965 54.1733 18.6875 177.8387 55 N 4.7287 9.0374 116.9073 53.6771 36.3270 173.4779 56 E 4.4880 8.1694 119.7558 55.4610 31.5112 175.5604 57 N 4.2883 8.8681 123.5779 54.3784 36.0306 175.5115 58 N 4.5208 8.2200 116.9444 56.4719 39.5394 178.4750 59 G 3.6804 8.2451 106.1503 48.7953 0.0000 174.8842 60 S 4.3652 8.3718 116.6228 61.5484 63.2599 176.4363 61 C 3.9276 8.5419 117.2892 60.5445 31.3936 175.0486 *63 I 3.8388 7.8783 120.1571 60.9200 38.6278 178.0487 64 F 4.5329 7.9665 118.7986 60.5284 38.5962 177.6134 65 A 3.7074 8.4733 120.6281 54.9660 18.1178 179.4719 66 F 3.8923 8.1885 118.8725 61.3037 39.4481 177.4626 67 G 3.9205 8.8016 105.8565 47.7304 0.0000 175.7997 68 L 3.4950 8.1456 121.2055 57.5613 41.4624 179.5429 69 L 3.8919 7.6363 117.5218 57.0600 41.5366 178.3837 70 N 4.5697 7.5187 113.1122 51.5214 39.1196 174.5418 71 A 3.5571 7.3882 122.0963 52.9407 16.7408 178.2057 72 L 4.4926 7.9839 120.2623 55.4943 44.2934 175.4645 73 D 5.0495 8.6776 126.1165 53.8948 38.5272 177.6801 *75 E 4.2503 9.3716 117.0401 56.2373 31.4423 177.5464 76 A 4.1133 8.8008 119.6306 55.3856 18.5015 179.5881 77 T 4.1001 8.4317 114.4353 66.8255 68.5856 176.8772 78 L 3.9427 8.0817 120.2062 57.8312 41.4923 179.3237 79 A 4.2547 8.1863 120.4861 55.3590 18.0417 179.4158 80 C 4.2095 7.8293 114.3854 62.6664 28.3816 175.4697 81 F 4.6985 8.5189 118.1905 57.4966 38.9146 176.6360 82 G 3.9716 9.0829 109.3941 46.6497 0.0000 177.6068 83 R 3.9455 8.5062 121.3606 58.7926 29.8278 178.1797 84 F 4.3778 7.6609 117.7548 60.5769 38.7793 176.9279 85 Y 4.2314 8.1241 118.4728 60.9191 38.7547 177.6808 86 R 3.6135 8.3717 117.8891 58.4786 30.4681 177.2162 87 E 4.4085 8.4052 116.9110 58.0279 30.7839 177.8414 88 D 4.4862 7.9920 118.5622 57.3577 41.3095 178.6557 89 V 3.9512 7.5836 117.5920 65.4446 31.7384 178.1355 90 L 3.9120 7.6409 117.2532 57.4809 41.5524 178.5693 91 L 4.1600 7.4588 116.4467 56.4044 42.5416 176.8980 92 H 4.9538 7.7068 115.7183 52.9281 28.9709 172.1732 93 P 4.3168 0.0000 0.0000 65.0086 31.6666 178.0166 94 E 4.3872 7.9492 116.0414 56.2794 30.0736 175.7487 95 N 4.6297 7.8084 116.4646 53.4841 39.1126 174.4717 96 N 4.9216 8.3927 114.7402 52.9572 39.5630 174.7044 97 D 4.3965 7.9287 118.2955 53.3015 41.1160 175.3027 98 H 3.9335 8.3118 113.9939 56.5680 26.2215 176.3602 99 Q 4.0309 7.7423 119.1712 59.2315 28.9758 178.7381 100 N 4.3998 8.1005 117.0523 56.2495 38.4596 177.2990 101 I 3.4815 7.4436 119.6936 64.4858 37.3377 178.2555 102 R 4.1147 7.7842 117.4721 59.2988 30.1564 178.6490 103 N 4.5246 8.5111 116.6742 55.8060 38.8295 177.6255 104 F 4.4340 8.2732 123.8093 57.7494 38.7724 177.2508 *106 V 3.9186 7.6819 117.9679 62.6004 32.6874 175.7953 107 T 4.2580 7.7790 107.6463 60.2085 70.6784 175.6747 108 G 3.1983 7.5087 112.0035 45.6109 0.0000 174.7577 109 W 4.6747 8.3282 116.9572 59.7236 29.5697 178.1320 110 E 4.0492 8.5258 117.4295 59.2797 29.0432 178.0195 111 G 3.8538 8.0915 105.1992 45.9266 0.0000 172.9770 112 I 4.6816 7.5221 121.6548 60.2805 38.4326 175.3055 113 Q 4.5624 8.8297 126.0009 55.0045 32.0416 173.4796 114 F 4.9200 9.1420 125.8012 57.0684 39.6291 175.8538 115 E 4.2475 9.4317 124.6249 59.4383 30.1432 176.1130 116 T 4.5858 7.7746 111.1983 60.7791 70.4471 172.2873 117 S 4.2093 8.3983 118.2154 57.8837 64.1059 173.7399 118 A 5.2082 8.0652 122.5146 51.4270 21.2093 176.2227 119 L 5.4464 7.7464 114.2621 53.0935 45.6283 176.2163 120 T 4.7835 8.7780 112.3639 59.3386 72.0776 174.0476 121 A 4.3624 8.8358 125.9595 52.0119 18.3746 177.0723 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 2 A 8.26 4.30 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 3 L 8.39 4.10 0.00 1.68 1.72 0.88 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 4 G 7.68 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 0.00 0.00 0.00 5 F 8.31 3.96 0.00 2.99 3.02 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 0.00 0.00 0.00 6 G 7.47 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 0.00 0.00 0.00 *10 E 8.21 4.03 0.00 2.07 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 0.00 2.29 2.37 0.00 11 L 8.37 4.08 0.00 1.82 1.67 1.28 0.72 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 12 Q 8.10 4.00 0.00 2.22 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.68 0.00 0.00 0.00 0.00 0.00 2.44 2.65 0.00 13 Q 8.59 3.96 0.00 2.35 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.57 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 14 F 8.08 4.11 0.00 3.19 3.34 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 15 L 8.24 4.00 0.00 1.96 1.74 1.02 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 16 D 8.48 4.32 0.00 2.82 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 17 A 8.22 3.91 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 18 L 7.65 3.66 0.00 1.02 1.68 0.89 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 19 A 7.78 4.11 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 20 S 7.58 4.34 0.00 3.90 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 21 S 8.13 4.79 0.00 3.83 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 22 P 0.00 4.10 0.00 2.24 2.32 0.00 3.78 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.00 0.00 23 E 7.35 4.23 0.00 1.96 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 0.00 2.32 2.44 0.00 *25 I 7.69 3.92 2.02 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.77 1.05 0.00 0.00 26 E 8.36 4.65 0.00 2.00 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 2.34 2.23 0.00 27 F 8.86 4.25 0.00 3.05 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 28 E 8.14 3.94 0.00 1.96 1.96 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 2.35 2.49 0.00 29 T 7.86 3.91 4.50 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 1.41 0.00 0.00 30 T 7.61 2.89 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 0.65 0.00 0.00 *32 A 8.12 4.06 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 33 V 7.36 3.36 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 0.73 0.00 0.00 0.58 0.00 0.00 34 I 7.40 3.79 1.51 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.11 0.77 0.00 0.00 35 E 7.83 3.95 0.00 1.97 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 2.23 2.25 0.00 36 D 8.11 4.44 0.00 2.61 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 N 7.97 4.63 0.00 2.60 2.13 0.00 0.00 6.63 8.17 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 38 Y 7.21 4.99 0.00 3.01 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 D 9.31 4.92 0.00 2.61 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.93 5.53 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 41 T 8.23 4.33 4.04 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 1.11 0.00 0.00 42 P 0.00 4.53 0.00 2.13 2.34 0.00 3.54 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.96 0.00 43 A 8.39 4.84 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 0.00 0.00 0.00 0.00 0.00 0.00 44 A 8.88 4.62 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 45 F 9.00 5.32 0.00 2.51 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 0.00 0.00 0.00 46 T 8.88 4.55 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 1.14 0.00 0.00 47 N 9.04 5.37 0.00 2.63 2.48 0.00 0.00 7.25 7.84 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 48 G 9.04 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 N 7.81 4.70 0.00 2.78 2.81 0.00 0.00 6.71 7.79 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 50 T 7.80 4.59 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 1.17 0.00 0.00 51 Q 8.25 4.65 0.00 1.94 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.46 0.00 0.00 0.00 0.00 0.00 2.11 2.23 0.00 52 N 8.49 5.04 0.00 1.99 2.66 0.00 0.00 6.82 8.48 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 53 D 9.05 4.93 0.00 2.63 2.61 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 0.00 0.00 0.00 0.00 54 A 8.50 4.35 1.30 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 0.00 0.00 55 N 9.04 4.73 0.00 2.97 3.07 0.00 0.00 7.10 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 56 E 8.17 4.49 0.00 1.95 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 0.00 2.23 2.25 0.00 57 N 8.87 4.29 0.00 3.15 2.99 0.00 0.00 7.14 6.92 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 58 N 8.22 4.52 0.00 2.78 2.72 0.00 0.00 6.86 7.81 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 59 G 8.25 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 60 S 8.37 4.37 0.00 4.45 4.51 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 61 C 8.54 3.93 0.00 3.46 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 *63 I 7.88 3.84 0.98 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.21 0.06 0.00 0.00 64 F 7.97 4.53 0.00 3.09 3.31 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 65 A 8.47 3.71 1.19 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 0.00 0.00 66 F 8.19 3.89 0.00 2.86 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 67 G 8.80 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 0.00 0.00 0.00 68 L 8.15 3.50 0.00 1.69 1.49 0.98 -0.10 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 69 L 7.64 3.89 0.00 1.36 1.63 0.82 0.80 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 70 N 7.52 4.57 0.00 2.29 2.58 0.00 0.00 7.03 7.48 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 71 A 7.39 3.56 1.22 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 0.00 0.00 0.00 72 L 7.98 4.49 0.00 1.91 1.81 1.09 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 73 D 8.68 5.05 0.00 3.06 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 0.00 0.00 0.00 0.00 *75 E 9.37 4.25 0.00 2.34 2.16 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 2.36 2.45 0.00 76 A 8.80 4.11 1.45 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 77 T 8.43 4.10 4.39 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 0.95 0.00 0.00 78 L 8.08 3.94 0.00 1.41 0.13 0.83 0.76 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 79 A 8.19 4.25 1.47 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 0.00 0.00 0.00 0.00 0.00 0.00 80 C 7.83 4.21 0.00 3.00 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 81 F 8.52 4.70 0.00 3.35 3.32 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 82 G 9.08 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 83 R 8.51 3.95 0.00 1.65 1.91 0.00 3.05 0.00 0.00 3.57 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.86 0.00 84 F 7.66 4.38 0.00 3.22 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 85 Y 8.12 4.23 0.00 3.09 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 86 R 8.37 3.61 0.00 1.81 1.92 0.00 3.20 0.00 0.00 3.30 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.81 0.00 87 E 8.41 4.41 0.00 2.13 1.92 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 2.21 2.29 0.00 88 D 7.99 4.49 0.00 2.92 3.07 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 0.00 0.00 0.00 89 V 7.58 3.95 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 1.10 0.00 0.00 1.04 0.00 0.00 90 L 7.64 3.91 0.00 1.61 1.53 0.37 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 91 L 7.46 4.16 0.00 1.44 1.45 0.86 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 92 H 7.71 4.95 0.00 3.33 3.17 0.00 5.82 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 93 P 0.00 4.32 0.00 2.17 2.18 0.00 3.82 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 94 E 7.95 4.39 0.00 1.98 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 2.25 2.26 0.00 95 N 7.81 4.63 0.00 2.93 2.88 0.00 0.00 6.73 7.37 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 96 N 8.39 4.92 0.00 2.64 2.75 0.00 0.00 6.96 8.06 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 97 D 7.93 4.40 0.00 2.45 2.56 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 0.00 0.00 0.00 0.00 98 H 8.31 3.93 0.00 3.24 3.15 0.00 5.63 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 Q 7.74 4.03 0.00 2.02 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.91 0.00 0.00 0.00 0.00 0.00 2.53 2.37 0.00 100 N 8.10 4.40 0.00 2.89 3.30 0.00 0.00 7.17 7.48 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 0.00 101 I 7.44 3.48 1.85 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.07 -0.30 0.91 0.00 0.00 102 R 7.78 4.11 0.00 1.80 2.00 0.00 3.21 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.83 0.00 103 N 8.51 4.52 0.00 2.85 2.96 0.00 0.00 6.63 8.97 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 0.00 104 F 8.27 4.43 0.00 3.18 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 *106 V 7.68 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 0.85 0.00 0.00 0.98 0.00 0.00 107 T 7.78 4.26 4.18 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 1.17 0.00 0.00 108 G 7.51 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 0.00 0.00 0.00 109 W 8.33 4.67 0.00 3.51 3.26 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 0.00 110 E 8.53 4.05 0.00 2.14 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 2.35 2.45 0.00 111 G 8.09 3.85 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 0.00 0.00 0.00 112 I 7.52 4.68 2.47 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.84 1.23 0.00 0.00 113 Q 8.83 4.56 0.00 2.21 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.95 0.00 0.00 0.00 0.00 0.00 2.31 2.48 0.00 114 F 9.14 4.92 0.00 3.02 3.22 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 0.00 115 E 9.43 4.25 0.00 2.04 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 0.00 2.38 2.31 0.00 116 T 7.77 4.59 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 1.27 0.00 0.00 117 S 8.40 4.21 0.00 3.90 3.74 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 0.00 118 A 8.07 5.21 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 0.00 119 L 7.75 5.45 0.00 1.31 1.40 0.59 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 120 T 8.78 4.78 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 1.22 0.00 0.00 121 A 8.84 4.36 1.19 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.