NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.5925 8.0333 111.0840 60.9358 71.9135 173.1241 3 K 5.1314 7.9536 120.8566 54.0946 36.2548 173.6690 4 A 5.4587 8.9984 124.7822 50.6571 23.9680 174.7018 5 V 5.0694 8.8784 117.1399 60.3973 35.3576 173.8171 6 A 5.1047 9.3282 124.3249 50.2592 22.3150 174.9739 7 V 4.5171 8.3862 122.2869 61.3670 33.6808 174.3594 8 L 4.8433 8.9916 129.3766 53.7689 43.1309 176.1712 9 K 4.8541 9.2439 122.5200 55.4879 37.1042 176.3650 10 G 4.0376 7.9556 108.3395 45.7220 0.0000 172.1671 11 D 4.5776 8.8006 118.0208 55.3928 41.9319 177.0166 12 G 4.3488 7.6367 109.1874 44.3362 0.0000 171.7271 13 P 4.4529 0.0000 0.0000 63.3193 32.1351 176.2049 14 V 4.2075 7.5620 120.7556 62.9413 32.0013 174.9412 15 Q 4.8159 8.6190 125.1354 55.3036 32.6388 173.6803 16 G 4.2284 8.0791 106.3735 46.3231 0.0000 171.8829 17 I 5.1842 8.0955 119.7745 59.4243 40.9415 175.1511 18 I 4.7155 8.8440 127.3326 59.4885 40.5414 174.2879 19 N 5.0155 8.5505 124.4060 51.3395 41.2648 173.8632 20 F 5.3417 8.8953 120.1304 55.7812 43.0933 173.8169 21 E 5.2305 9.6759 123.0677 54.7605 33.4174 173.7396 22 Q 4.8889 9.4985 127.7509 54.2720 30.6481 174.9496 23 K 4.2035 9.0310 127.5396 58.7911 32.6124 177.3676 24 E 4.7412 7.7310 114.3549 54.0879 32.6776 175.4952 25 S 4.0504 8.7365 114.7161 61.6948 62.2581 175.8252 26 N 4.8577 8.0493 114.4380 52.9340 38.6963 175.3232 27 G 4.0150 7.8359 108.7131 43.4412 0.0000 172.3843 28 P 4.6125 0.0000 0.0000 62.6734 32.2735 176.3657 29 V 4.6445 8.9232 122.9376 61.2382 33.8457 174.7078 30 K 4.8530 9.3050 128.3363 55.8521 33.8306 175.9558 31 V 4.8147 9.4469 125.0473 60.8257 34.1191 174.2368 32 W 5.5772 8.4889 124.1339 54.9081 32.0103 175.5532 33 G 3.8010 7.3789 106.6404 46.3274 0.0000 171.0054 34 S 5.1765 7.8023 114.9157 56.9456 67.6597 173.4915 35 I 5.1054 8.7652 124.0027 59.3383 40.8691 174.7118 36 K 4.8411 9.2922 125.0439 55.6629 36.2133 176.9982 37 G 3.8235 8.9389 106.5709 45.5208 0.0000 173.4544 38 L 4.4363 7.5968 120.0757 53.1911 42.9114 176.5755 39 T 4.2329 8.1831 111.8038 61.1097 69.4809 173.9591 40 E 4.0246 8.5998 124.7335 57.5210 30.5237 175.1513 41 G 3.8006 8.2556 110.3425 44.0066 0.0000 172.2409 42 L 4.8026 8.2182 119.2886 54.6251 43.0304 176.4649 43 H 4.9961 9.2330 119.5956 53.6593 32.8367 173.2911 44 G 4.1685 9.0819 111.0024 47.0034 0.0000 172.3509 45 F 5.6621 9.1337 124.6660 56.8635 42.3326 172.9920 46 H 5.3574 9.0626 122.9557 53.9384 33.5903 172.9310 47 V 4.4004 8.8439 122.5880 62.8273 32.8311 174.8710 48 H 5.2265 9.4788 125.0825 54.0195 31.2900 175.4086 49 E 3.7485 8.8734 121.9605 58.5154 30.2322 177.2060 50 F 5.0148 8.3147 118.3323 55.7065 41.4193 176.1808 51 G 4.7311 8.4824 113.9202 44.5219 0.0000 174.1525 52 D 4.7635 7.9591 117.9257 52.6335 42.6208 174.3222 53 N 5.2204 8.7932 124.7836 52.7423 39.2893 175.7857 54 T 3.9672 8.5940 110.0135 63.1877 69.3587 174.5429 55 A 4.7238 8.0689 125.2428 51.2485 19.8111 175.7703 56 G 3.9281 7.8082 113.1411 47.4140 0.0000 176.4193 57 C 4.5231 8.5898 116.7299 59.1130 35.7364 175.8313 58 T 3.8264 7.6486 116.3258 66.3723 67.7508 175.8690 59 S 4.4498 7.9586 112.8006 59.4676 63.7252 175.4851 60 A 4.7417 7.2724 126.5486 54.7405 18.2364 178.4731 61 G 3.9647 8.1446 105.3794 44.4877 0.0000 170.9334 62 P 4.6265 0.0000 0.0000 61.9982 33.4842 175.3130 63 H 4.2215 8.4522 116.3541 56.3587 29.0281 175.3244 64 F 4.3746 8.9815 125.2805 58.4449 40.0003 174.3150 65 N 4.7383 8.2492 124.3134 51.4955 39.3160 172.3091 66 P 4.0918 0.0000 0.0000 64.6335 32.3670 178.3759 *78 E 4.3897 8.1732 117.2585 55.7531 31.1340 175.8883 79 R 4.7342 7.4996 114.6384 53.8588 33.5301 175.3737 80 H 4.5550 8.3512 114.6128 54.7784 29.3631 176.6638 81 V 3.3811 8.2342 120.7026 66.3224 31.5281 177.2177 82 G 3.9325 7.8318 103.0496 46.8363 0.0000 172.8563 83 D 4.8107 7.5761 121.0954 53.4330 40.9717 175.4476 84 L 4.5486 8.2703 126.0399 53.6141 42.5284 178.9493 85 G 3.8761 8.5975 108.5809 46.8522 0.0000 173.8727 86 N 5.5886 8.6603 121.2444 51.4964 42.1041 173.8113 87 V 4.3487 8.6138 113.6215 59.9972 35.1080 175.0323 88 T 5.0156 8.1733 118.3516 61.8172 71.5271 172.9856 89 A 4.7057 8.9351 129.3818 50.9490 20.7877 177.3864 90 D 4.7900 8.7689 122.5246 51.9557 41.4175 176.9935 91 K 3.8706 8.6129 117.2564 60.0750 32.2724 177.1569 92 D 4.5442 8.2757 116.5587 54.0437 41.3201 176.8443 93 G 4.1654 8.5817 108.4339 44.4337 0.0000 172.5381 94 V 4.7857 8.5368 120.0669 60.7279 33.8944 174.2950 95 A 5.1519 9.1098 129.9216 49.5515 21.0823 175.0638 96 D 4.8132 8.6919 123.6110 53.4374 41.7455 175.4654 97 V 4.0811 8.8144 127.7530 61.7967 33.1974 174.8975 98 S 4.8453 8.5066 122.2580 57.2312 64.8421 172.8225 99 I 4.8433 9.5897 127.9757 59.4883 41.6936 174.0146 100 E 5.1145 8.8612 125.3184 54.5058 32.2420 174.3609 101 D 4.9952 9.2776 126.1857 52.4242 44.6347 175.7243 102 S 4.7015 8.8959 118.4254 58.1862 63.7278 174.4038 103 V 4.1191 7.9750 121.0860 64.7095 32.3902 176.4570 104 I 4.0324 7.9243 111.6076 61.0380 38.1832 174.6511 105 S 4.6845 8.3884 115.0440 57.2519 65.5345 174.2546 106 L 4.4982 8.9634 122.5127 54.5197 41.8092 176.4470 107 S 4.5854 7.6142 112.5358 57.4486 66.7862 175.3028 108 G 3.8886 8.4997 108.1060 45.2567 0.0000 173.8492 109 D 4.4276 8.7685 117.5547 57.6593 41.0802 176.8199 110 H 4.8618 8.2749 114.2347 55.5114 28.8592 174.5520 111 A 4.3071 7.9263 124.1533 52.5213 18.6449 178.2322 112 I 3.8638 8.0737 115.0395 60.2086 38.5250 175.8694 113 I 3.8189 7.2815 123.0886 63.0523 37.4184 176.3487 114 G 3.8143 9.3938 113.5981 45.4078 0.0000 172.9786 115 R 4.9248 7.4537 119.2315 54.8912 33.5317 174.6640 116 T 4.9727 8.0403 115.1278 62.0382 71.5667 173.5113 117 L 4.8686 8.6749 128.3056 53.8822 44.0432 175.2982 118 V 5.0440 8.9413 126.1260 61.0085 35.1402 174.1486 119 V 5.1303 8.6440 127.0438 60.6302 33.4665 174.9181 120 H 5.2106 9.1962 122.2546 54.2198 30.5661 175.0058 121 E 4.1896 9.2525 121.8725 59.1968 29.8973 177.0606 122 K 4.7438 7.9700 116.9609 53.9147 35.6253 175.6921 123 A 4.4079 8.3966 124.1721 52.4632 18.7837 178.1169 124 D 4.4839 9.6440 123.0068 53.3387 39.6599 175.6941 *142 S 4.3182 7.8872 118.9139 57.7721 65.4244 173.0478 143 R 4.4944 8.3262 119.2918 55.0652 30.0825 176.6101 144 L 4.2848 8.8821 125.6334 57.5762 42.9973 177.1053 145 A 4.8175 7.7682 117.3430 51.6204 22.5503 174.0093 146 C 5.6679 8.5627 113.4582 55.6653 46.9017 172.9904 147 G 4.7649 8.1502 104.3840 45.6172 0.0000 172.6796 148 V 4.2126 8.3479 123.5057 62.6338 32.7873 175.5034 149 I 4.2103 9.0687 129.4233 60.7401 37.8903 175.2350 150 G 4.3897 8.9104 114.9986 43.8527 0.0000 171.9636 151 I 4.2244 8.3061 121.6916 61.2362 37.4600 175.6345 152 A 4.7742 8.4189 128.8013 49.7487 21.7796 176.4225 153 Q 4.0683 8.4800 118.8852 56.4367 29.2130 176.0173 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 T 8.03 4.59 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 1.24 0.00 0.00 3 K 7.95 5.13 0.00 1.96 1.75 0.00 1.89 0.00 0.00 1.95 0.00 0.00 3.14 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.55 1.60 7.81 4 A 9.00 5.46 1.13 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 0.00 0.00 5 V 8.88 5.07 2.05 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 0.84 0.00 0.00 0.95 0.00 0.00 6 A 9.33 5.10 1.32 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 0.00 0.00 7 V 8.39 4.52 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 1.04 0.00 0.00 0.92 0.00 0.00 8 L 8.99 4.84 0.00 1.70 1.60 1.07 0.46 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 9 K 9.24 4.85 0.00 1.63 1.62 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.39 7.81 10 G 7.96 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 0.00 0.00 0.00 0.00 11 D 8.80 4.58 0.00 2.68 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 12 G 7.64 4.35 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 0.00 13 P 0.00 4.45 0.00 2.18 2.17 0.00 3.76 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.94 0.00 14 V 7.56 4.21 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 0.79 0.00 0.00 0.93 0.00 0.00 15 Q 8.62 4.82 0.00 2.21 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.45 0.00 0.00 0.00 0.00 0.00 2.23 2.31 0.00 16 G 8.08 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 0.00 0.00 0.00 0.00 17 I 8.10 5.18 1.82 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 1.21 0.82 0.83 0.00 0.00 18 I 8.84 4.72 1.84 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 1.27 1.27 0.52 0.00 0.00 19 N 8.55 5.02 0.00 1.44 1.45 0.00 0.00 6.41 7.57 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 20 F 8.90 5.34 0.00 2.89 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 21 E 9.68 5.23 0.00 2.50 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 2.33 2.52 0.00 22 Q 9.50 4.89 0.00 2.08 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.74 0.00 0.00 0.00 0.00 0.00 2.45 2.62 0.00 23 K 9.03 4.20 0.00 1.81 1.88 0.00 1.76 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.46 1.46 7.81 24 E 7.73 4.74 0.00 2.09 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 2.27 2.29 0.00 25 S 8.74 4.05 0.00 3.85 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 26 N 8.05 4.86 0.00 2.74 2.79 0.00 0.00 6.81 7.65 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 27 G 7.84 4.01 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 0.00 0.00 0.00 28 P 0.00 4.61 0.00 1.98 2.03 0.00 3.67 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 29 V 8.92 4.64 2.23 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 1.33 0.00 0.00 1.05 0.00 0.00 30 K 9.31 4.85 0.00 1.94 1.84 0.00 1.54 0.00 0.00 1.43 0.00 0.00 2.76 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.46 1.43 7.81 31 V 9.45 4.81 2.15 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 0.71 0.00 0.00 1.04 0.00 0.00 32 W 8.49 5.58 0.00 3.50 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 33 G 7.38 3.80 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 0.00 0.00 0.00 34 S 7.80 5.18 0.00 3.74 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 35 I 8.77 5.11 1.80 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 1.27 0.71 0.96 0.00 0.00 36 K 9.29 4.84 0.00 1.72 1.88 0.00 1.33 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.34 7.81 37 G 8.94 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 38 L 7.60 4.44 0.00 1.84 1.49 0.84 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.18 4.23 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 1.24 0.00 0.00 40 E 8.60 4.02 0.00 1.95 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 2.29 2.48 0.00 41 G 8.26 3.80 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 0.00 0.00 0.00 42 L 8.22 4.80 0.00 1.51 1.58 0.91 0.92 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 43 H 9.23 5.00 0.00 3.01 3.32 0.00 5.63 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 44 G 9.08 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 0.00 0.00 0.00 0.00 45 F 9.13 5.66 0.00 3.01 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 46 H 9.06 5.36 0.00 3.25 3.10 0.00 5.66 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 V 8.84 4.40 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 0.79 0.00 0.00 0.89 0.00 0.00 48 H 9.48 5.23 0.00 3.05 3.40 0.00 5.67 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.87 3.75 0.00 1.71 1.12 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 1.51 2.21 0.00 50 F 8.31 5.01 0.00 3.35 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 G 8.48 4.73 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 52 D 7.96 4.76 0.00 2.61 2.81 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 53 N 8.79 5.22 0.00 2.68 2.74 0.00 0.00 7.37 7.70 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 54 T 8.59 3.97 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 55 A 8.07 4.72 1.26 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 0.00 0.00 56 G 7.81 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 0.00 0.00 0.00 57 C 8.59 4.52 0.00 2.97 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 58 T 7.65 3.83 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 1.22 0.00 0.00 59 S 7.96 4.45 0.00 4.10 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 60 A 7.27 4.74 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 61 G 8.14 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 0.00 0.00 0.00 62 P 0.00 4.63 0.00 2.06 2.20 0.00 3.70 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 63 H 8.45 4.22 0.00 2.74 2.47 0.00 5.72 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 64 F 8.98 4.37 0.00 2.97 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 65 N 8.25 4.74 0.00 2.65 2.48 0.00 0.00 6.97 7.71 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 66 P 0.00 4.09 0.00 2.12 1.93 0.00 3.19 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.40 0.00 *78 E 8.17 4.39 0.00 2.00 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 2.21 2.34 0.00 79 R 7.50 4.73 0.00 1.72 1.76 0.00 3.21 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 80 H 8.35 4.56 0.00 3.56 3.40 0.00 5.83 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 8.23 3.38 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 0.74 0.00 0.00 0.48 0.00 0.00 82 G 7.83 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 0.00 0.00 0.00 83 D 7.58 4.81 0.00 2.55 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 84 L 8.27 4.55 0.00 1.79 1.82 0.82 1.03 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 85 G 8.60 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 0.00 0.00 0.00 86 N 8.66 5.59 0.00 2.58 2.77 0.00 0.00 6.61 7.68 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 87 V 8.61 4.35 1.78 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 -0.34 0.00 0.00 0.73 0.00 0.00 88 T 8.17 5.02 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 89 A 8.94 4.71 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 90 D 8.77 4.79 0.00 2.89 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 91 K 8.61 3.87 0.00 1.88 2.00 0.00 1.56 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.41 1.47 7.81 92 D 8.28 4.54 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 93 G 8.58 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 0.00 0.00 0.00 0.00 94 V 8.54 4.79 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 1.01 0.00 0.00 0.92 0.00 0.00 95 A 9.11 5.15 1.15 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 0.00 0.00 96 D 8.69 4.81 0.00 2.69 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 97 V 8.81 4.08 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 0.73 0.00 0.00 0.65 0.00 0.00 98 S 8.51 4.85 0.00 3.89 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 I 9.59 4.84 1.98 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 1.17 0.82 1.01 0.00 0.00 100 E 8.86 5.11 0.00 1.96 1.82 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 2.21 2.30 0.00 101 D 9.28 5.00 0.00 2.86 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.90 4.70 0.00 4.02 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 0.00 103 V 7.97 4.12 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 0.84 0.00 0.00 0.94 0.00 0.00 104 I 7.92 4.03 1.92 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.80 1.01 0.00 0.00 105 S 8.39 4.68 0.00 3.83 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 0.00 106 L 8.96 4.50 0.00 1.77 1.65 0.98 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 107 S 7.61 4.59 0.00 3.95 3.79 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 0.00 0.00 0.00 108 G 8.50 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 0.00 0.00 0.00 109 D 8.77 4.43 0.00 2.71 2.81 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 0.00 110 H 8.27 4.86 0.00 3.23 3.36 0.00 5.64 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 0.00 111 A 7.93 4.31 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 0.00 112 I 8.07 3.86 1.57 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.32 0.92 0.00 0.00 113 I 7.28 3.82 1.78 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.74 0.84 0.00 0.00 114 G 9.39 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 0.00 115 R 7.45 4.92 0.00 1.55 1.80 0.00 2.21 0.00 0.00 2.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.21 0.00 116 T 8.04 4.97 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 1.24 0.00 0.00 117 L 8.67 4.87 0.00 1.79 1.55 0.39 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 118 V 8.94 5.04 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 0.78 0.00 0.00 0.78 0.00 0.00 119 V 8.64 5.13 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 0.81 0.00 0.00 1.04 0.00 0.00 120 H 9.20 5.21 0.00 3.14 3.36 0.00 5.66 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 E 9.25 4.19 0.00 2.15 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 2.38 2.34 0.00 122 K 7.97 4.74 0.00 1.73 1.70 0.00 1.75 0.00 0.00 1.84 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.47 1.38 7.81 123 A 8.40 4.41 1.23 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 0.00 0.00 0.00 124 D 9.64 4.48 0.00 2.68 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 *142 S 7.89 4.32 0.00 3.98 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 0.00 143 R 8.33 4.49 0.00 1.67 1.82 0.00 3.24 0.00 0.00 3.09 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.63 0.00 144 L 8.88 4.28 0.00 1.72 1.69 0.92 0.44 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 0.00 145 A 7.77 4.82 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 0.00 146 C 8.56 5.67 0.00 3.00 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 0.00 147 G 8.15 4.76 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 0.00 0.00 0.00 148 V 8.35 4.21 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 0.80 0.00 0.00 0.94 0.00 0.00 149 I 9.07 4.21 1.81 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.34 0.40 0.00 0.00 150 G 8.91 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 0.00 0.00 0.00 0.00 151 I 8.31 4.22 1.86 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 1.25 0.54 0.91 0.00 0.00 152 A 8.42 4.77 1.18 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 0.00 0.00 153 Q 8.48 4.07 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.79 6.60 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.