NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 3.9287 8.3193 116.6354 57.4044 64.2025 173.1668 2 P 4.2231 0.0000 0.0000 62.2458 32.2430 174.2875 3 Y 4.3827 9.3634 122.9324 57.9283 39.7991 175.7720 4 N 5.0415 9.4995 122.3731 53.1103 39.7809 174.3650 5 V 5.0106 9.2623 124.3411 61.2418 35.0765 173.8061 6 M 5.2495 8.8008 125.3605 53.8742 35.4143 173.9607 7 I 4.6732 8.5526 126.6752 59.7489 39.7126 174.8032 8 V 4.6592 8.5780 126.6936 61.6356 34.0963 173.6099 9 D 4.6952 8.4957 125.8042 53.2628 44.3137 176.2885 10 D 4.5698 9.1782 123.7595 54.8580 40.0483 175.5920 11 A 4.6786 8.4658 123.1809 50.4310 20.3089 177.4607 12 A 3.9353 8.6246 127.1702 55.5620 18.4826 179.0214 13 M 3.9615 8.0122 116.1298 59.0688 32.3553 177.9927 14 M 4.0392 7.9682 117.6672 58.7515 32.5070 178.1166 15 R 3.9417 7.7339 118.3164 59.2984 30.1704 178.8735 16 L 4.0025 8.0757 120.1147 58.1652 42.0704 178.3329 17 Y 4.0635 8.1514 119.6361 60.7001 38.6492 178.1804 18 I 3.7206 7.9340 120.4559 64.4369 37.4157 178.2202 19 A 4.0098 8.1853 121.6066 55.4161 17.9032 179.9219 20 S 4.0945 8.1265 113.1337 61.5210 63.0206 176.3607 21 F 4.2317 7.8912 123.0770 61.3200 39.1549 177.4875 22 I 3.6482 8.1591 119.7224 63.9781 36.6065 178.2514 23 K 3.9537 7.7445 119.9107 59.4095 32.0327 178.3561 24 T 4.1016 7.2374 108.7103 62.1973 69.2777 174.8279 25 L 4.2241 6.9750 122.9338 53.5076 42.2485 175.1035 26 P 4.4893 0.0000 0.0000 63.9664 32.1691 176.1124 27 D 4.6601 8.0505 117.7701 53.5808 40.8934 175.9345 28 F 5.4930 8.1500 117.1504 55.7354 42.9221 174.2981 29 K 4.6544 9.2248 122.5622 54.8341 35.8922 175.1177 30 V 4.4084 8.5729 127.4149 62.9253 31.5534 175.6525 31 V 4.4579 8.9075 120.8311 61.9036 34.0014 175.9941 32 A 4.7664 7.7630 120.4460 50.5477 22.7431 175.0488 33 Q 5.0882 8.7090 118.9100 54.0430 32.2714 174.8505 34 A 5.0846 9.1907 124.6475 49.1894 22.1456 176.7443 35 A 4.4608 9.3456 124.1187 53.2248 19.5696 176.7106 36 N 5.2405 7.5945 111.8578 50.1240 41.6796 175.5620 37 G 3.4261 8.3268 105.9693 48.0339 0.0000 175.5531 38 Q 3.9850 8.0317 122.0184 58.7333 29.0185 177.6756 39 E 3.9020 8.8111 120.5341 59.2366 29.7439 178.6998 40 A 3.9306 7.9209 120.7501 54.7479 18.1889 179.7532 41 L 4.1551 7.6820 117.8156 58.1112 41.6604 179.2052 42 D 4.3838 8.0110 118.6720 57.4795 40.8007 179.1698 43 K 4.0236 8.0663 118.9292 59.3445 31.8219 179.2853 44 L 4.0601 7.7707 119.1383 57.9670 42.0758 178.5745 45 A 4.1501 8.1626 120.0837 54.7139 18.3403 179.1980 46 A 4.3508 7.6162 119.0520 53.5428 18.7042 177.4211 47 Q 4.4835 7.7387 117.4937 53.6732 29.6116 173.8450 48 P 4.5025 0.0000 0.0000 64.2247 32.0973 177.4089 49 N 4.7127 8.0706 114.5166 53.1678 37.3042 175.0517 50 V 3.8185 7.2925 118.8899 63.8520 32.2330 175.1234 51 D 4.7845 9.5288 127.6748 55.9243 42.5993 176.4376 52 L 5.2528 7.8825 118.6267 53.2470 46.2158 175.1683 53 I 4.8589 8.7179 125.7459 59.7395 40.1492 174.7983 54 L 4.8037 9.1479 129.1007 53.4863 42.1426 174.8777 55 L 4.7917 8.8013 126.7040 53.4343 44.0660 174.7884 56 N 4.8531 8.2482 124.6844 52.5959 39.8474 174.7164 57 I 3.8438 7.8387 126.3115 64.1190 37.5286 176.0681 58 E 4.8431 7.8355 117.6355 54.9791 32.9376 174.6369 59 M 4.9121 8.3397 118.6047 55.9605 34.9387 176.6478 *66 E 4.4433 8.0646 116.4419 56.4661 31.7234 178.1893 67 F 4.3866 8.2144 119.6854 61.2092 39.3412 176.5316 68 L 3.6473 8.0894 119.5377 58.1578 41.4469 179.2098 69 R 3.8521 7.2388 116.2245 59.6030 29.9118 178.4582 70 H 4.2990 7.9523 115.2222 58.5352 28.7880 177.4419 71 A 3.8018 7.7516 122.9190 55.2038 17.8957 179.9205 72 K 4.0551 7.3594 115.4811 59.4189 32.1288 179.1769 73 L 4.1620 7.4166 116.8606 56.4790 41.6430 178.6944 74 K 4.3091 7.6932 117.2120 57.1211 33.1610 176.3960 75 T 4.6872 7.5297 110.9086 60.4930 70.4859 173.3316 76 R 4.3599 8.4809 123.0998 55.9593 30.4523 176.7060 77 A 4.3269 7.3135 119.6042 51.9956 19.3124 178.0414 78 K 4.1614 8.6651 121.0987 56.4334 33.4316 176.2541 79 I 4.7792 8.4929 126.1372 60.2906 39.1696 174.4263 80 C 5.3020 9.0427 126.5154 57.8914 34.7554 172.9835 81 M 4.9057 8.8332 125.4160 54.8452 33.5246 175.1252 82 L 5.6851 8.8395 120.4353 51.9648 45.4882 175.4941 83 A 4.8922 8.3815 124.4119 50.0851 22.1620 176.7328 84 S 4.1004 8.8623 117.0632 60.4298 63.3436 174.9132 *98 E 4.3576 8.1444 121.0498 55.7259 30.9098 175.6829 99 L 4.2533 7.5485 117.3314 56.0969 41.3094 175.2776 100 G 4.1512 8.5941 113.7479 46.3585 0.0000 174.2994 101 A 4.2952 7.5114 123.4065 50.9784 19.5844 177.3955 102 D 4.5170 8.7112 120.3962 57.0159 41.4382 176.9058 103 G 4.4464 7.9751 103.4511 44.3015 0.0000 171.4550 104 V 5.0327 8.2084 118.3360 59.8723 34.1613 175.0502 105 V 4.5354 8.7752 124.7646 60.5931 34.6731 174.5085 106 A 4.6167 7.8762 125.9234 51.4147 19.1921 177.6094 107 K 4.1736 8.7608 121.7971 55.5861 32.5586 175.8451 108 P 4.4332 0.0000 0.0000 62.7149 32.0147 175.7788 109 S 4.3786 8.2291 113.3876 56.4536 65.3821 174.6790 110 G 3.7371 8.4913 114.4320 44.8876 0.0000 173.0877 *122 G 4.0920 8.4175 114.7555 45.3645 0.0000 172.9570 123 E 3.9291 7.9403 121.3690 58.4150 30.3253 178.4293 124 L 3.9759 7.9205 119.7062 58.0932 42.0284 178.4720 125 A 4.0938 7.6873 120.5432 55.3354 18.2344 179.8845 126 R 3.8553 7.6658 114.9825 59.8969 30.1612 179.3283 127 T 4.2488 7.7372 113.3711 64.5905 67.0192 176.0963 128 M 4.0018 8.1081 121.1033 58.2942 31.9239 178.8746 129 R 4.2657 7.9880 118.2961 59.4487 29.7641 179.1832 130 T 3.9473 7.9885 109.7209 64.7905 68.4878 176.6804 131 L 4.0331 7.5226 121.2029 57.8398 41.7286 179.0512 132 M 4.0224 7.5791 116.2174 57.8815 31.8513 178.3475 133 A 4.1148 7.7366 119.9376 54.4922 18.6361 177.7163 134 A 4.3068 7.5365 122.0008 52.4326 19.0562 177.0016 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 S 8.32 3.93 0.00 3.51 3.59 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 2 P 0.00 4.22 0.00 2.10 1.97 0.00 3.65 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 1.91 2.00 0.00 3 Y 9.36 4.38 0.00 2.59 2.88 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 4 N 9.50 5.04 0.00 2.89 2.81 0.00 0.00 6.13 7.30 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 5 V 9.26 5.01 2.18 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 1.16 0.00 0.00 1.31 0.00 0.00 6 M 8.80 5.25 0.00 2.18 1.91 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.50 0.00 7 I 8.55 4.67 1.88 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 1.14 0.51 0.92 0.00 0.00 8 V 8.58 4.66 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 0.64 0.00 0.00 0.84 0.00 0.00 9 D 8.50 4.70 0.00 2.75 2.42 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 10 D 9.18 4.57 0.00 2.92 2.89 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 A 8.47 4.68 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 12 A 8.62 3.94 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 13 M 8.01 3.96 0.00 2.04 2.07 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.56 0.00 14 M 7.97 4.04 0.00 2.47 2.03 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.83 0.00 15 R 7.73 3.94 0.00 2.06 2.17 0.00 3.17 0.00 0.00 3.40 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 16 L 8.08 4.00 0.00 1.96 1.84 0.94 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 17 Y 8.15 4.06 0.00 3.22 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 18 I 7.93 3.72 1.92 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 1.49 0.68 0.95 0.00 0.00 19 A 8.19 4.01 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 20 S 8.13 4.09 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 21 F 7.89 4.23 0.00 2.84 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 22 I 8.16 3.65 1.90 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 1.64 0.69 1.06 0.00 0.00 23 K 7.74 3.95 0.00 2.01 1.97 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.44 7.81 24 T 7.24 4.10 4.12 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 1.18 0.00 0.00 25 L 6.97 4.22 0.00 1.84 1.89 0.74 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 26 P 0.00 4.49 0.00 2.15 2.14 0.00 3.76 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 1.95 1.93 0.00 27 D 8.05 4.66 0.00 2.59 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 F 8.15 5.49 0.00 2.90 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 29 K 9.22 4.65 0.00 1.79 1.62 0.00 1.62 0.00 0.00 1.58 0.00 0.00 2.82 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.39 7.81 30 V 8.57 4.41 2.11 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 0.86 0.00 0.00 0.97 0.00 0.00 31 V 8.91 4.46 2.11 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 0.78 0.00 0.00 1.05 0.00 0.00 32 A 7.76 4.77 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 33 Q 8.71 5.09 0.00 1.90 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.64 0.00 0.00 0.00 0.00 0.00 2.26 2.34 0.00 34 A 9.19 5.08 1.07 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 0.00 0.00 35 A 9.35 4.46 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 36 N 7.59 5.24 0.00 2.91 2.88 0.00 0.00 6.13 6.93 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 37 G 8.33 3.43 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 0.00 38 Q 8.03 3.99 0.00 2.17 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.85 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 39 E 8.81 3.90 0.00 2.16 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 2.28 2.31 0.00 40 A 7.92 3.93 0.70 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 0.00 0.00 41 L 7.68 4.16 0.00 1.88 1.80 0.96 1.48 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 42 D 8.01 4.38 0.00 2.87 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 43 K 8.07 4.02 0.00 1.80 1.87 0.00 1.69 0.00 0.00 1.58 0.00 0.00 3.13 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.66 1.58 7.81 44 L 7.77 4.06 0.00 2.04 1.95 1.03 1.17 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 45 A 8.16 4.15 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 46 A 7.62 4.35 1.38 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 0.00 0.00 47 Q 7.74 4.48 0.00 2.06 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.90 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 48 P 0.00 4.50 0.00 2.23 2.31 0.00 3.71 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.96 0.00 49 N 8.07 4.71 0.00 2.85 2.98 0.00 0.00 6.00 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 50 V 7.29 3.82 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 1.06 0.00 0.00 51 D 9.53 4.78 0.00 2.91 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 52 L 7.88 5.25 0.00 1.80 1.54 0.98 0.99 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 53 I 8.72 4.86 1.97 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.77 1.13 0.00 0.00 54 L 9.15 4.80 0.00 1.58 1.63 0.90 0.16 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 55 L 8.80 4.79 0.00 1.89 1.59 1.01 0.69 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 56 N 8.25 4.85 0.00 2.82 2.71 0.00 0.00 7.19 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 57 I 7.84 3.84 1.87 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 1.47 0.92 0.92 0.00 0.00 58 E 7.84 4.84 0.00 1.90 1.80 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 2.20 2.29 0.00 59 M 8.34 4.91 0.00 1.91 2.01 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.44 0.00 *66 E 8.06 4.44 0.00 2.10 2.12 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 2.34 2.29 0.00 67 F 8.21 4.39 0.00 3.11 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 68 L 8.09 3.65 0.00 1.76 1.64 0.94 0.96 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 69 R 7.24 3.85 0.00 1.94 1.84 0.00 3.20 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 70 H 7.95 4.30 0.00 3.21 3.31 0.00 5.63 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 71 A 7.75 3.80 0.52 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 0.00 0.00 72 K 7.36 4.06 0.00 1.63 1.84 0.00 1.68 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.56 7.81 73 L 7.42 4.16 0.00 1.76 1.71 0.92 0.83 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 74 K 7.69 4.31 0.00 1.85 1.86 0.00 1.75 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.55 7.81 75 T 7.53 4.69 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 1.25 0.00 0.00 76 R 8.48 4.36 0.00 1.85 1.94 0.00 3.27 0.00 0.00 3.23 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 77 A 7.31 4.33 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 78 K 8.67 4.16 0.00 1.74 1.76 0.00 1.66 0.00 0.00 1.73 0.00 0.00 2.83 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.46 1.55 7.81 79 I 8.49 4.78 1.88 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 1.14 0.82 0.97 0.00 0.00 80 C 9.04 5.30 0.00 2.93 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 81 M 8.83 4.91 0.00 2.00 1.96 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.67 0.00 82 L 8.84 5.69 0.00 1.58 1.51 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 83 A 8.38 4.89 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 84 S 8.86 4.10 0.00 3.85 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 *98 E 8.14 4.36 0.00 1.95 2.01 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 2.19 2.31 0.00 99 L 7.55 4.25 0.00 1.77 1.64 0.92 0.44 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 0.00 100 G 8.59 4.15 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 0.00 101 A 7.51 4.30 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 0.00 102 D 8.71 4.52 0.00 2.60 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 0.00 103 G 7.98 4.45 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 0.00 104 V 8.21 5.03 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 0.73 0.00 0.00 0.93 0.00 0.00 105 V 8.78 4.54 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 0.98 0.00 0.00 0.90 0.00 0.00 106 A 7.88 4.62 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 0.00 107 K 8.76 4.17 0.00 1.57 1.73 0.00 1.69 0.00 0.00 1.73 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.37 7.81 108 P 0.00 4.43 0.00 2.38 1.94 0.00 3.71 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 1.93 0.00 109 S 8.23 4.38 0.00 3.87 3.77 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 0.00 0.00 0.00 110 G 8.49 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 0.00 0.00 0.00 *122 G 8.42 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 0.00 123 E 7.94 3.93 0.00 1.95 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 2.36 2.22 0.00 124 L 7.92 3.98 0.00 1.62 1.36 0.86 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 125 A 7.69 4.09 1.57 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 0.00 0.00 126 R 7.67 3.86 0.00 2.11 2.01 0.00 3.15 0.00 0.00 3.12 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 127 T 7.74 4.25 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 1.27 0.00 0.00 128 M 8.11 4.00 0.00 1.20 1.97 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.32 0.00 129 R 7.99 4.27 0.00 2.16 2.07 0.00 3.34 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 130 T 7.99 3.95 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 1.29 0.00 0.00 131 L 7.52 4.03 0.00 1.60 1.76 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 132 M 7.58 4.02 0.00 1.07 1.78 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.91 0.00 133 A 7.74 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 0.00 134 A 7.54 4.31 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 * Residues marked with a * may have inaccurate shift predictions.