NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2219 8.3144 121.7893 55.6504 32.2512 174.8061 2 E 3.7994 8.5885 127.4203 55.2444 30.2273 175.7875 3 S 4.3476 8.9124 121.7691 57.8275 65.3708 174.1952 4 A 4.0136 8.5864 128.3964 55.2494 18.3824 179.8791 5 A 4.0771 7.9605 118.3908 55.4381 18.6758 179.5539 6 A 3.9942 7.8421 119.0484 55.2473 18.4781 179.7679 7 K 4.1262 8.4716 118.4929 59.4058 32.1069 178.9054 8 F 4.1724 8.4292 121.4598 61.0139 39.3010 177.1607 9 E 4.0419 8.2080 117.8875 59.5094 29.2355 178.9716 10 R 3.8724 7.8177 117.3192 59.4332 30.1634 177.9272 11 Q 4.1382 7.6527 115.6899 57.2333 29.1629 176.1057 12 H 4.7232 8.0244 113.2661 54.9152 30.7906 172.9606 13 M 4.6581 7.5040 119.5052 53.9508 33.9887 176.1660 14 D 4.6904 8.0927 117.0275 53.5383 42.8818 174.8955 15 S 4.1255 8.4321 118.7856 61.0470 63.4503 174.5397 16 G 3.5501 8.0640 108.7172 45.3478 0.0000 171.4413 17 N 4.1361 8.8090 125.3239 52.5485 36.5554 175.3580 18 S 4.5042 8.8248 114.3576 58.6084 62.1794 174.9768 19 A 4.3392 7.8365 120.5495 52.6435 18.0718 179.5139 20 S 4.0841 8.0108 114.4291 61.8156 62.6346 176.9730 21 S 4.2762 8.1917 116.7383 59.6928 62.6564 174.6931 22 S 4.7811 8.0373 115.6059 57.3907 63.5281 175.8769 23 S 4.2490 8.7804 118.0806 61.1704 62.8477 175.0941 24 N 4.7826 8.0115 117.7895 53.0255 39.1518 175.6200 25 Y 4.0452 7.7292 122.4512 61.1836 38.7445 177.3776 26 C 3.9699 8.1664 116.2461 60.2216 40.2047 175.6735 27 N 4.0634 8.1742 115.9288 56.8227 38.2009 176.9914 28 Q 4.0054 7.7041 117.5816 59.0552 28.8882 178.3776 29 M 3.8760 7.2401 118.4271 58.0677 32.9517 177.5732 30 M 4.0859 8.0193 120.0383 55.4029 29.0909 177.7013 *33 R 4.2511 7.4537 114.5902 55.1529 32.6057 176.3515 34 K 3.9436 8.1688 115.6099 58.2842 28.8717 176.3598 35 M 4.6597 7.8732 115.1013 55.3604 32.3369 177.1973 36 T 4.7009 7.8746 106.3931 61.3339 69.5642 173.3232 37 Q 4.4221 8.1307 121.7921 56.4029 29.8171 174.5782 38 G 4.2606 10.7779 117.2323 44.8726 0.0000 173.0654 39 K 3.7662 7.0561 115.5812 54.9267 35.4574 175.7071 40 C 4.8635 8.4835 117.0725 55.0606 40.4676 173.9513 41 K 4.0397 8.5670 127.4879 56.0232 32.3072 174.3357 42 P 4.5554 0.0000 0.0000 65.5656 31.9171 176.3096 43 V 5.0098 7.5819 117.9349 60.7246 34.5872 174.0393 44 N 4.8276 9.3444 124.5083 52.7699 42.7973 172.9034 45 T 4.9060 7.9545 121.4021 61.6507 71.4806 173.3086 46 F 4.7435 8.9104 124.2382 55.6627 41.8028 174.6471 47 V 4.3876 8.5180 123.1827 61.2120 32.9368 175.4888 48 H 5.2079 9.1560 124.1426 55.7383 27.6887 172.1671 49 E 4.7881 7.9066 116.6043 53.7786 33.2858 176.8977 50 S 4.4532 8.2460 114.4158 57.8511 65.3307 174.6103 51 L 3.9630 8.6480 124.0552 58.5982 41.4484 179.3298 52 A 3.8969 8.1102 119.1673 55.9555 18.0077 178.9594 53 D 4.5389 7.6797 115.0504 57.5654 41.2510 179.4118 54 V 3.8770 8.2005 118.7554 65.5878 31.8394 178.2801 55 K 4.0063 7.9577 117.4801 59.2069 32.0340 178.8632 56 A 4.0815 8.5694 121.2128 54.4882 18.1258 179.7500 57 V 3.7842 7.8047 117.4549 66.2320 31.3573 177.2338 58 C 3.8873 7.7049 115.2305 59.0313 39.9327 174.8144 59 S 4.5883 7.3655 114.5722 58.1957 63.5155 174.5924 60 Q 4.6441 7.7444 122.3329 54.8926 29.7530 175.2589 61 K 4.2428 8.5766 122.2180 57.7360 33.8164 176.5028 62 K 4.7564 8.4890 124.0259 54.8141 34.5731 175.2606 63 V 4.4683 7.6899 118.5404 60.6085 36.0835 174.1405 64 T 4.3816 8.3190 114.9759 61.2005 69.0236 175.0806 65 C 4.8314 8.1508 122.6432 55.9457 42.6586 172.9556 66 K 4.1399 7.4645 117.5732 58.5418 32.5785 178.0448 67 D 4.3683 7.9844 117.6397 54.8033 39.5944 177.0269 68 G 4.0483 8.4351 106.7728 45.3922 0.0000 173.9955 69 Q 4.0694 9.6792 118.1060 57.0184 29.1342 176.4661 70 T 4.3656 8.3424 116.4304 63.7490 68.7422 175.0694 71 N 4.8579 7.7961 118.0587 52.9811 38.8561 175.2529 72 C 5.0550 7.7451 118.0645 57.4342 36.0356 172.1123 73 Y 5.0921 8.6144 118.2501 56.5044 42.2960 173.9068 74 Q 5.1805 8.5435 123.2980 54.1153 31.7111 175.3291 75 S 4.6703 8.2578 119.9592 57.7960 64.0256 174.0312 76 K 3.9806 10.2172 127.8460 59.1485 31.9514 176.5062 77 S 4.8097 7.6772 111.3854 56.3348 65.7822 173.3900 78 T 4.2444 7.9511 111.4469 61.9537 69.8124 173.7253 79 M 4.9330 9.1782 121.7663 53.4042 36.9331 174.8993 80 R 4.6340 9.1001 120.6189 56.0020 31.3356 176.0113 81 I 4.9022 8.6794 116.9040 59.4335 42.0294 174.1149 82 T 5.1088 9.0399 119.2418 61.8735 72.0003 172.5326 83 D 5.0087 9.6539 127.3742 53.2715 43.1217 174.1727 84 C 5.6362 9.3220 123.7954 55.4023 44.1113 173.1962 85 R 5.1725 8.6427 122.0914 53.9170 33.9597 174.4835 86 E 3.7179 8.7912 126.0433 56.1434 30.0304 176.9655 87 T 4.1401 8.9348 118.5405 60.8840 69.7119 174.7559 88 G 3.7728 8.5203 110.5202 48.9231 0.0000 175.4230 89 S 4.1507 7.9389 114.8113 59.8494 63.4109 174.6983 90 S 3.9918 7.2344 113.8713 58.7196 62.5233 173.4966 91 K 4.5714 8.6049 127.6414 54.4286 35.1002 174.7001 92 Y 4.4317 8.8051 127.2382 57.6419 39.0491 174.1485 93 P 3.0785 0.0000 0.0000 63.0671 31.7896 176.6651 94 N 4.5973 7.9299 118.9179 52.3514 37.1923 171.8588 95 C 4.6976 8.3911 118.9498 55.8083 39.8825 173.0718 96 A 5.1654 8.5182 125.8881 50.3909 21.3600 174.3681 97 Y 5.1168 10.3101 121.0360 56.0361 41.2348 175.0119 98 K 4.6767 8.9396 122.6342 55.1645 34.7452 174.8695 99 T 4.9582 8.5869 123.5338 62.5427 70.4579 174.3098 100 T 4.5641 8.7163 121.9752 61.9712 72.3228 172.9894 101 Q 4.8189 8.7818 126.4259 55.2133 29.7655 176.0034 102 V 4.5992 8.7434 116.5813 59.8436 36.7204 173.7748 103 E 5.2256 8.4115 122.8915 54.8772 31.2889 175.3262 104 K 4.2933 8.3277 122.0188 56.7552 36.5860 173.6076 105 H 4.9394 8.4091 117.2955 55.4233 30.2249 174.7810 106 I 4.7717 8.8566 114.5294 59.2134 40.9968 174.0801 107 I 4.7309 8.1690 124.8656 59.8211 39.9336 175.1087 108 V 4.5018 8.2603 117.5823 59.5938 36.7166 174.0194 109 A 4.7445 9.1305 126.7895 51.8845 19.4514 175.8162 110 C 5.1018 9.1769 121.0338 54.7203 39.7797 172.5847 111 G 3.8570 8.9778 111.3836 43.8570 0.0000 175.6074 112 G 3.7478 9.2308 115.7194 46.8309 0.0000 173.6676 113 K 5.2360 8.5987 133.4101 55.4815 33.2805 172.1208 114 P 4.0415 0.0000 0.0000 62.1923 31.8264 176.5723 115 S 5.1555 8.4400 116.4458 58.7112 61.8554 173.1300 116 V 4.5387 8.0186 119.7969 58.2914 34.7047 173.5829 117 P 4.7964 0.0000 0.0000 63.6490 31.5017 176.5279 118 V 4.5430 8.6240 114.2295 60.9491 34.0831 175.0636 119 H 4.6985 7.9813 118.3418 55.1742 33.2697 171.9419 120 F 4.7197 8.6723 127.8986 57.1112 39.6704 174.5727 121 D 4.3711 7.9279 126.9374 55.8979 41.7042 175.8728 122 A 4.2598 6.5594 118.3102 53.5466 23.2913 174.2798 123 S 4.8329 7.6152 108.6461 57.6315 65.5937 175.2413 124 V 3.9335 7.8696 119.5290 62.7451 31.8085 171.2775 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 K 8.31 4.22 0.00 1.74 1.85 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.38 7.81 2 E 8.59 3.80 0.00 2.05 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 2.31 2.37 0.00 3 S 8.91 4.35 0.00 3.94 3.72 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 4 A 8.59 4.01 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 5 A 7.96 4.08 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 6 A 7.84 3.99 1.34 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 0.00 0.00 7 K 8.47 4.13 0.00 1.97 2.07 0.00 1.67 0.00 0.00 1.62 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.59 7.81 8 F 8.43 4.17 0.00 3.17 3.29 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 9 E 8.21 4.04 0.00 2.24 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 2.59 2.70 0.00 10 R 7.82 3.87 0.00 1.81 1.95 0.00 3.23 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 11 Q 7.65 4.14 0.00 1.87 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.48 0.00 0.00 0.00 0.00 0.00 2.24 2.37 0.00 12 H 8.02 4.72 0.00 2.04 2.80 0.00 5.62 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 13 M 7.50 4.66 0.00 2.05 2.13 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.74 0.00 14 D 8.09 4.69 0.00 2.54 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 15 S 8.43 4.13 0.00 3.91 3.95 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 0.00 0.00 0.00 16 G 8.06 3.55 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 0.00 0.00 0.00 17 N 8.81 4.14 0.00 2.92 3.08 0.00 0.00 5.81 7.64 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 18 S 8.82 4.50 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 19 A 7.84 4.34 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 20 S 8.01 4.08 0.00 4.06 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 0.00 21 S 8.19 4.28 0.00 4.03 4.07 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 22 S 8.04 4.78 0.00 3.91 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 23 S 8.78 4.25 0.00 4.04 4.11 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 24 N 8.01 4.78 0.00 2.84 2.87 0.00 0.00 6.76 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 25 Y 7.73 4.05 0.00 3.07 3.15 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 26 C 8.17 3.97 0.00 3.13 3.15 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 27 N 8.17 4.06 0.00 2.86 2.91 0.00 0.00 6.93 7.69 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 28 Q 7.70 4.01 0.00 1.91 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.96 0.00 0.00 0.00 0.00 0.00 2.31 2.52 0.00 29 M 7.24 3.88 0.00 1.03 1.26 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.61 0.00 30 M 8.02 4.09 0.00 1.23 1.51 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.21 0.00 *33 R 7.45 4.25 0.00 2.00 2.08 0.00 3.49 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.82 0.00 34 K 8.17 3.94 0.00 1.94 2.00 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.32 1.45 7.81 35 M 7.87 4.66 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.43 0.00 36 T 7.87 4.70 4.33 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 1.30 0.00 0.00 37 Q 8.13 4.42 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.70 0.00 0.00 0.00 0.00 0.00 2.35 2.32 0.00 38 G 10.78 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 0.00 0.00 0.00 39 K 7.06 3.77 0.00 1.66 1.43 0.00 1.44 0.00 0.00 1.57 0.00 0.00 2.75 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.23 1.33 7.81 40 C 8.48 4.86 0.00 3.25 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 41 K 8.57 4.04 0.00 1.80 1.86 0.00 1.83 0.00 0.00 1.75 0.00 0.00 3.28 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.67 1.42 7.81 42 P 0.00 4.56 0.00 2.14 2.28 0.00 3.71 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.98 0.00 43 V 7.58 5.01 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 0.83 0.00 0.00 0.95 0.00 0.00 44 N 9.34 4.83 0.00 2.77 2.49 0.00 0.00 6.81 7.08 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 45 T 7.95 4.91 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 0.98 0.00 0.00 46 F 8.91 4.74 0.00 3.11 3.06 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 0.00 0.00 0.00 47 V 8.52 4.39 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 0.84 0.00 0.00 0.97 0.00 0.00 48 H 9.16 5.21 0.00 3.04 3.18 0.00 5.65 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 7.91 4.79 0.00 1.94 1.87 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 2.22 2.21 0.00 50 S 8.25 4.45 0.00 4.06 3.99 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 0.00 0.00 0.00 51 L 8.65 3.96 0.00 1.76 1.80 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 52 A 8.11 3.90 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 53 D 7.68 4.54 0.00 2.91 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 54 V 8.20 3.88 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 1.09 0.00 0.00 0.98 0.00 0.00 55 K 7.96 4.01 0.00 1.79 1.83 0.00 1.74 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.76 1.42 7.81 56 A 8.57 4.08 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 57 V 7.80 3.78 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 1.18 0.00 0.00 1.01 0.00 0.00 58 C 7.70 3.89 0.00 3.22 2.94 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 59 S 7.37 4.59 0.00 3.79 3.75 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.74 4.64 0.00 2.26 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.92 0.00 0.00 0.00 0.00 0.00 2.34 2.28 0.00 61 K 8.58 4.24 0.00 1.87 1.72 0.00 1.65 0.00 0.00 1.74 0.00 0.00 2.76 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.51 1.47 7.81 62 K 8.49 4.76 0.00 1.79 1.57 0.00 1.60 0.00 0.00 1.54 0.00 0.00 2.68 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.59 1.17 7.81 63 V 7.69 4.47 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 0.65 0.00 0.00 0.86 0.00 0.00 64 T 8.32 4.38 4.19 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 1.17 0.00 0.00 65 C 8.15 4.83 0.00 3.14 3.36 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 66 K 7.46 4.14 0.00 1.74 1.84 0.00 1.59 0.00 0.00 1.75 0.00 0.00 3.16 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.38 7.81 67 D 7.98 4.37 0.00 2.77 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 68 G 8.44 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 0.00 0.00 0.00 69 Q 9.68 4.07 0.00 2.19 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 7.24 0.00 0.00 0.00 0.00 0.00 2.38 2.60 0.00 70 T 8.34 4.37 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 1.15 0.00 0.00 71 N 7.80 4.86 0.00 3.07 3.08 0.00 0.00 6.18 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 72 C 7.75 5.06 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 73 Y 8.61 5.09 0.00 2.91 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 74 Q 8.54 5.18 0.00 2.06 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.83 0.00 0.00 0.00 0.00 0.00 2.30 2.28 0.00 75 S 8.26 4.67 0.00 4.12 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 76 K 10.22 3.98 0.00 1.63 1.92 0.00 1.76 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.49 1.46 7.81 77 S 7.68 4.81 0.00 3.84 3.75 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.95 4.24 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 1.11 0.00 0.00 79 M 9.18 4.93 0.00 1.92 1.96 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 2.50 2.49 0.00 80 R 9.10 4.63 0.00 1.80 1.90 0.00 3.09 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 81 I 8.68 4.90 1.94 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.09 0.93 0.00 0.00 82 T 9.04 5.11 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 1.43 0.00 0.00 83 D 9.65 5.01 0.00 2.80 2.59 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 84 C 9.32 5.64 0.00 3.21 3.24 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 85 R 8.64 5.17 0.00 1.75 1.76 0.00 3.16 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 86 E 8.79 3.72 0.00 1.40 1.63 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 2.16 1.96 0.00 87 T 8.93 4.14 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 1.29 0.00 0.00 88 G 8.52 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 0.00 0.00 0.00 89 S 7.94 4.15 0.00 3.99 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 90 S 7.23 3.99 0.00 3.92 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 91 K 8.60 4.57 0.00 1.73 1.58 0.00 1.72 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 1.40 7.81 92 Y 8.81 4.43 0.00 2.96 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 93 P 0.00 3.08 0.00 1.79 1.25 0.00 3.66 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.74 0.00 94 N 7.93 4.60 0.00 2.90 2.80 0.00 0.00 6.95 7.26 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 95 C 8.39 4.70 0.00 3.18 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 96 A 8.52 5.17 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 97 Y 10.31 5.12 0.00 2.84 2.94 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 98 K 8.94 4.68 0.00 1.85 1.69 0.00 1.64 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.43 7.81 99 T 8.59 4.96 4.34 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 1.37 0.00 0.00 100 T 8.72 4.56 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 1.24 0.00 0.00 101 Q 8.78 4.82 0.00 1.93 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 6.75 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 102 V 8.74 4.60 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 0.76 0.00 0.00 0.96 0.00 0.00 103 E 8.41 5.23 0.00 1.84 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 2.23 2.23 0.00 104 K 8.33 4.29 0.00 1.82 1.90 0.00 1.39 0.00 0.00 1.73 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.26 1.35 7.81 105 H 8.41 4.94 0.00 3.42 3.26 0.00 5.56 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 8.86 4.77 1.92 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.28 1.10 0.00 0.00 107 I 8.17 4.73 1.67 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 1.15 0.85 0.89 0.00 0.00 108 V 8.26 4.50 2.20 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 0.76 0.00 0.00 0.98 0.00 0.00 109 A 9.13 4.74 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 0.00 110 C 9.18 5.10 0.00 3.02 2.99 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 0.00 0.00 0.00 111 G 8.98 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 0.00 0.00 0.00 112 G 9.23 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.60 5.24 0.00 1.84 1.82 0.00 1.84 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.18 1.13 7.81 114 P 0.00 4.04 0.00 2.08 2.00 0.00 3.99 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 2.04 1.99 0.00 115 S 8.44 5.16 0.00 3.82 3.72 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 0.00 116 V 8.02 4.54 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 0.71 0.00 0.00 0.94 0.00 0.00 117 P 0.00 4.80 0.00 1.98 2.06 0.00 3.64 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.16 0.00 118 V 8.62 4.54 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 0.67 0.00 0.00 1.09 0.00 0.00 119 H 7.98 4.70 0.00 3.24 3.13 0.00 5.84 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 F 8.67 4.72 0.00 3.03 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 0.00 121 D 7.93 4.37 0.00 2.52 2.47 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 0.00 122 A 6.56 4.26 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 0.00 123 S 7.62 4.83 0.00 4.15 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 0.00 124 V 7.87 3.93 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 0.57 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.