NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -4 A 4.3213 8.2493 123.5816 52.2114 19.8962 175.9746 -3 M 4.4965 8.3562 119.4996 52.4673 33.9938 173.4729 -2 A 4.3432 9.1751 124.5395 51.4419 20.1380 178.4331 -1 I 4.5617 7.9987 123.3169 59.2261 40.8685 175.2776 0 S 4.1147 8.8594 118.7592 58.9121 62.9648 174.9893 1 N 4.2752 8.7854 124.0042 56.1403 38.2910 177.5487 2 W 4.3607 7.7643 119.8875 59.3480 28.9506 178.5896 3 V 3.6690 7.8761 118.6137 66.1474 31.0762 177.8131 4 N 4.4105 8.0746 115.7803 55.8568 38.2166 177.6422 5 V 3.5252 7.6344 119.6467 66.0282 31.6035 177.9674 6 I 3.6053 7.7410 119.3974 64.3040 36.8820 178.3549 7 S 4.0457 7.8105 113.7953 61.3986 62.1049 176.0415 8 D 4.3043 7.9937 121.4646 57.1263 40.4709 178.5707 9 L 3.8306 7.9689 119.7711 57.6910 41.6114 179.3440 10 K 3.8069 8.1872 119.6861 59.4751 32.0027 178.6880 11 K 3.9186 7.9350 119.7269 59.5744 32.1614 178.9363 12 I 3.7021 8.0911 120.5569 64.2811 36.7790 177.9539 13 E 3.9487 8.2020 119.4461 59.3137 29.6029 178.1460 14 D 4.4487 8.0939 118.0106 57.4072 41.0531 178.2278 15 L 4.0237 8.1343 119.8736 57.6506 40.0539 179.3374 16 I 3.8572 8.0303 112.5236 63.1700 37.3978 177.8335 17 Q 4.2184 7.5837 121.5386 59.4508 28.8223 177.6595 18 S 4.1077 7.3846 115.5057 61.6023 63.1087 175.0095 19 M 4.0926 7.0983 117.5979 56.2623 32.6280 176.5592 20 H 4.9044 8.2394 113.4594 54.5364 28.8687 173.7796 21 I 4.1785 7.5258 120.1134 60.6559 38.0276 176.0793 22 D 4.8820 8.4807 124.7900 52.7300 39.9306 175.8312 23 A 4.1241 8.0253 121.9092 53.0353 19.0720 177.5983 24 T 4.7305 8.0098 110.6413 60.1626 70.9856 173.9861 25 L 4.6415 8.5047 123.0077 52.6513 46.1845 175.4925 26 Y 4.7552 9.0907 120.7442 58.7958 38.3223 175.8626 27 T 4.3090 8.9284 121.4512 61.7137 71.5583 173.7832 28 E 4.3219 8.3846 128.6337 55.0691 29.1341 175.6932 29 S 4.6293 8.5002 121.4301 58.6125 63.9817 174.5120 30 D 4.6999 8.5423 119.5699 52.1610 40.8472 174.7050 31 V 3.6907 7.6281 119.9053 63.0577 32.7262 174.9387 32 H 4.4449 8.7539 124.6166 54.6556 29.4126 174.3952 33 P 4.1206 0.0000 0.0000 65.7896 31.2143 177.5548 34 S 4.3430 7.9919 109.9927 60.0106 63.4123 175.0565 35 C 5.2221 8.8749 118.5348 55.9767 41.7226 175.9827 36 K 3.9288 8.0473 122.5810 59.6136 32.0385 179.2656 37 V 3.8086 8.1331 119.5121 66.3092 31.6642 177.6061 38 T 3.8748 8.7173 115.7558 66.8778 68.3612 176.3215 39 A 3.9885 8.1995 122.3503 55.2841 18.3259 179.3236 40 M 4.0201 8.5158 117.0130 58.7922 32.3366 178.4059 41 K 3.9422 8.3710 118.8445 59.7714 32.2418 178.5888 42 C 4.2376 8.1415 116.4284 60.1061 41.2992 175.8543 43 F 3.9346 7.7440 119.2547 60.7503 38.1463 177.9093 44 L 4.2556 8.0275 117.1527 57.7806 41.6445 179.1039 45 L 4.2075 8.0114 118.8872 58.2418 41.6789 179.6486 46 E 4.0565 8.4829 118.0007 58.8659 29.2344 178.8703 47 L 4.2251 8.5234 120.8908 58.5325 42.0634 179.0794 48 Q 4.0988 8.1237 117.5309 58.5811 28.4453 179.0397 49 V 3.5547 7.6651 119.7238 65.9796 31.5778 177.9162 50 I 3.6386 7.7384 119.1182 64.5010 36.3938 178.2094 51 S 4.0903 7.9117 113.7808 61.4243 62.0801 176.2253 52 L 4.0355 7.8631 120.4611 57.9455 41.4574 179.1226 53 E 4.1616 8.3162 117.8162 58.9051 29.4660 179.0949 54 S 4.3098 8.0685 114.2720 59.5516 63.1633 174.9830 55 G 3.9873 7.8188 108.3778 46.1919 0.0000 172.7613 56 D 4.8891 7.7576 117.1902 51.3591 44.0983 175.1447 57 A 3.9863 8.5965 128.8376 55.5381 18.5507 179.5610 58 S 4.0703 8.0574 111.0207 61.4429 62.5117 176.0950 59 I 3.6816 8.1684 122.5668 64.6492 36.9035 177.7452 60 H 4.1700 8.3649 120.4590 58.9001 29.6170 176.8539 61 D 4.3681 8.6047 120.9072 57.8672 40.6371 179.1003 62 T 3.8973 7.9859 116.1504 66.3288 68.4527 177.2454 63 V 3.5940 8.1697 120.8018 65.8066 31.5889 177.7236 64 E 3.8602 8.6172 119.4407 59.2808 29.4933 178.2332 65 N 4.2309 8.3337 117.3307 56.4887 38.9573 176.5528 66 L 3.8969 7.8839 121.6013 58.3809 42.1982 179.0796 67 I 3.7771 7.8660 119.7226 64.3304 36.9718 178.5850 68 I 3.6696 7.7111 120.6623 64.2181 36.7076 178.2884 69 L 3.7829 7.5128 118.3908 57.7264 41.7120 179.3315 70 A 3.2514 7.8556 120.3422 55.1205 18.2712 179.4424 71 N 4.3570 8.4111 115.3361 56.5346 38.3445 177.2864 72 N 4.3807 8.0969 116.8270 55.3291 38.6390 176.3537 73 S 4.6090 7.8384 114.5912 59.9016 64.0987 173.9432 74 L 4.9547 7.5847 122.9971 54.1625 43.4438 174.6624 75 S 3.4977 8.7700 118.3360 60.0850 62.1006 173.0928 *81 T 4.4886 7.9714 124.3544 63.3223 69.3015 177.3562 82 E 4.7985 9.0642 126.2044 55.3911 32.2734 174.7310 83 S 4.5582 8.0141 114.8773 57.8090 65.6578 173.8341 84 G 3.8774 8.8707 112.5071 46.3173 0.0000 174.0897 85 C 4.7300 7.7896 115.6381 54.9759 41.7314 173.8949 86 K 4.2605 8.2171 121.5974 56.2734 32.5766 177.2106 87 E 4.2275 8.7361 121.6940 55.9397 30.4222 177.5097 88 C 4.0372 8.6277 118.3012 60.2648 40.2839 175.6859 89 E 2.5831 7.5158 115.6792 56.7968 29.3056 176.8820 90 E 4.2039 7.5772 117.8866 57.0319 30.0269 176.5799 91 L 4.4871 7.1247 119.1340 53.4815 43.0733 176.4934 92 E 4.1657 8.7470 122.0616 56.7196 30.9957 175.2320 93 E 4.8766 8.7035 125.2043 55.4564 30.8095 175.5967 94 K 4.8881 9.0105 123.3091 54.1662 37.2411 175.6267 95 N 5.0156 8.7861 118.9802 52.1696 38.5189 176.4601 96 I 3.7975 8.3143 118.8427 64.2139 37.0155 178.3602 97 K 3.9132 8.2088 120.0612 59.9381 32.0065 178.5360 98 E 4.1073 8.9721 118.9360 59.0279 29.2779 179.1124 99 F 4.3065 8.5399 120.8966 61.5227 39.5056 177.2915 100 L 4.0390 8.4928 118.8007 57.6566 41.4043 179.1996 101 Q 3.8610 8.1652 119.6023 59.4934 28.5838 178.7837 102 S 4.1826 8.1150 116.0290 61.1360 62.7060 176.4246 103 F 2.7981 7.9168 123.7816 60.8939 39.0267 177.1121 104 V 3.4520 7.7539 117.9078 66.5162 30.9958 177.4376 105 H 4.1657 7.7303 114.4984 59.0030 28.7013 177.0367 106 I 3.9473 7.4449 119.4299 63.4742 38.0732 177.6896 107 V 3.2989 7.9065 119.4365 66.3294 31.3213 178.0838 108 Q 4.0475 8.3035 117.5486 59.1546 28.2622 178.5879 109 M 4.0376 7.5288 119.2126 58.3713 32.0051 178.4074 110 F 4.0047 7.7217 116.6027 58.4412 39.0390 175.9645 111 I 4.0890 6.8799 119.2905 61.6800 36.9653 173.9982 112 N 4.5592 8.5061 124.2014 53.8618 45.0030 175.2693 113 T 4.3700 7.7236 113.8045 59.4145 66.0502 174.2623 114 S 4.2178 8.2467 120.6695 58.6190 62.7898 174.7134 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 -4 A 8.25 4.32 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 -3 M 8.36 4.50 0.00 2.18 2.03 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.60 0.00 -2 A 9.18 4.34 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 -1 I 8.00 4.56 1.87 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 1.31 0.72 0.93 0.00 0.00 0 S 8.86 4.11 0.00 3.98 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 1 N 8.79 4.28 0.00 2.36 2.37 0.00 0.00 7.15 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 2 W 7.76 4.36 0.00 3.47 3.23 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 3 V 7.88 3.67 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 1.05 0.00 0.00 0.99 0.00 0.00 4 N 8.07 4.41 0.00 2.89 2.79 0.00 0.00 6.67 7.20 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 5 V 7.63 3.53 2.39 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 1.10 0.00 0.00 0.81 0.00 0.00 6 I 7.74 3.61 2.00 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 1.37 0.52 0.88 0.00 0.00 7 S 7.81 4.05 0.00 3.84 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 8 D 7.99 4.30 0.00 2.83 2.62 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 9 L 7.97 3.83 0.00 1.67 1.55 0.39 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 10 K 8.19 3.81 0.00 1.89 1.94 0.00 1.61 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 1.42 1.44 7.81 11 K 7.94 3.92 0.00 1.86 1.92 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.46 7.81 12 I 8.09 3.70 1.98 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 1.42 0.62 0.96 0.00 0.00 13 E 8.20 3.95 0.00 2.08 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 0.00 2.34 2.49 0.00 14 D 8.09 4.45 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 15 L 8.13 4.02 0.00 1.87 1.70 0.92 0.59 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 16 I 8.03 3.86 1.88 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.99 0.98 0.00 0.00 17 Q 7.58 4.22 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 7.01 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 18 S 7.38 4.11 0.00 3.95 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 19 M 7.10 4.09 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.53 0.00 20 H 8.24 4.90 0.00 3.06 3.22 0.00 5.89 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 I 7.53 4.18 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 0.49 0.89 0.00 0.00 22 D 8.48 4.88 0.00 2.70 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 23 A 8.03 4.12 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 24 T 8.01 4.73 4.14 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 1.16 0.00 0.00 25 L 8.50 4.64 0.00 1.07 0.84 -0.17 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 26 Y 9.09 4.76 0.00 2.74 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 27 T 8.93 4.31 4.36 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 1.39 0.00 0.00 28 E 8.38 4.32 0.00 1.83 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 2.27 2.52 0.00 29 S 8.50 4.63 0.00 3.95 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 30 D 8.54 4.70 0.00 2.52 2.50 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 0.00 31 V 7.63 3.69 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 0.90 0.00 0.00 1.06 0.00 0.00 32 H 8.75 4.44 0.00 3.23 3.20 0.00 5.70 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 P 0.00 4.12 0.00 1.99 2.05 0.00 3.68 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.04 0.00 34 S 7.99 4.34 0.00 3.96 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 35 C 8.87 5.22 0.00 3.08 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 36 K 8.05 3.93 0.00 2.07 2.03 0.00 0.61 0.00 0.00 1.41 0.00 0.00 2.47 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.46 0.94 7.81 37 V 8.13 3.81 2.40 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 1.26 0.00 0.00 1.15 0.00 0.00 38 T 8.72 3.87 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 1.23 0.00 0.00 39 A 8.20 3.99 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 40 M 8.52 4.02 0.00 2.26 1.91 0.00 0.00 0.00 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.24 0.00 41 K 8.37 3.94 0.00 2.05 1.89 0.00 1.76 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.53 1.79 7.81 42 C 8.14 4.24 0.00 2.90 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 43 F 7.74 3.93 0.00 2.59 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 44 L 8.03 4.26 0.00 1.86 1.86 1.05 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 45 L 8.01 4.21 0.00 1.91 1.78 0.94 0.84 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 46 E 8.48 4.06 0.00 2.15 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.56 0.00 47 L 8.52 4.23 0.00 2.53 2.13 1.26 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 48 Q 8.12 4.10 0.00 2.24 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.59 0.00 0.00 0.00 0.00 0.00 2.44 2.74 0.00 49 V 7.67 3.55 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 1.03 0.00 0.00 0.89 0.00 0.00 50 I 7.74 3.64 2.11 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 1.47 0.32 0.95 0.00 0.00 51 S 7.91 4.09 0.00 3.88 4.03 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 52 L 7.86 4.04 0.00 1.81 1.72 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 53 E 8.32 4.16 0.00 1.99 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 2.32 2.42 0.00 54 S 8.07 4.31 0.00 4.05 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 55 G 7.82 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 0.00 0.00 0.00 56 D 7.76 4.89 0.00 2.77 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 57 A 8.60 3.99 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 58 S 8.06 4.07 0.00 3.91 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 59 I 8.17 3.68 1.89 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 1.42 0.59 0.94 0.00 0.00 60 H 8.36 4.17 0.00 3.26 3.59 0.00 5.84 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 61 D 8.60 4.37 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 62 T 7.99 3.90 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 1.21 0.00 0.00 63 V 8.17 3.59 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 1.09 0.00 0.00 0.99 0.00 0.00 64 E 8.62 3.86 0.00 1.88 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 2.27 2.28 0.00 65 N 8.33 4.23 0.00 2.93 2.91 0.00 0.00 6.90 7.52 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 66 L 7.88 3.90 0.00 1.82 1.79 0.60 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 67 I 7.87 3.78 1.89 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.70 0.94 0.00 0.00 68 I 7.71 3.67 1.82 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 1.50 0.78 0.86 0.00 0.00 69 L 7.51 3.78 0.00 1.76 1.45 0.85 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 A 7.86 3.25 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 71 N 8.41 4.36 0.00 2.75 2.88 0.00 0.00 7.10 6.54 0.00 0.00 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 N 8.10 4.38 0.00 2.71 2.78 0.00 0.00 6.92 7.19 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 73 S 7.84 4.61 0.00 3.14 3.66 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 74 L 7.58 4.95 0.00 1.64 1.69 1.06 1.35 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 75 S 8.77 3.50 0.00 3.99 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 *81 T 7.97 4.49 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 82 E 9.06 4.80 0.00 1.93 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 2.21 2.27 0.00 83 S 8.01 4.56 0.00 3.75 3.66 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 84 G 8.87 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 85 C 7.79 4.73 0.00 2.96 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 86 K 8.22 4.26 0.00 1.71 1.69 0.00 1.72 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.44 7.81 87 E 8.74 4.23 0.00 1.96 1.77 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 2.28 2.23 0.00 88 C 8.63 4.04 0.00 2.74 2.93 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 89 E 7.52 2.58 0.00 1.71 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 0.00 2.20 1.93 0.00 90 E 7.58 4.20 0.00 2.07 1.94 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 2.27 2.19 0.00 91 L 7.12 4.49 0.00 1.69 1.63 0.80 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 92 E 8.75 4.17 0.00 2.09 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 2.41 2.38 0.00 93 E 8.70 4.88 0.00 1.83 1.72 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 1.76 2.30 0.00 94 K 9.01 4.89 0.00 1.74 1.93 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.92 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.39 1.43 7.81 95 N 8.79 5.02 0.00 2.99 2.98 0.00 0.00 7.40 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 96 I 8.31 3.80 1.91 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.94 1.00 0.00 0.00 97 K 8.21 3.91 0.00 1.86 2.05 0.00 1.74 0.00 0.00 1.84 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.55 1.59 7.81 98 E 8.97 4.11 0.00 2.27 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 0.00 2.38 2.46 0.00 99 F 8.54 4.31 0.00 3.27 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 0.00 100 L 8.49 4.04 0.00 1.83 1.75 1.02 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 101 Q 8.17 3.86 0.00 2.17 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.32 0.00 102 S 8.12 4.18 0.00 4.27 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 0.00 103 F 7.92 2.80 0.00 2.66 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 0.00 104 V 7.75 3.45 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 0.92 0.00 0.00 0.82 0.00 0.00 105 H 7.73 4.17 0.00 3.29 3.31 0.00 5.72 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 0.00 106 I 7.44 3.95 1.68 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.44 0.54 0.00 0.00 107 V 7.91 3.30 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 1.14 0.00 0.00 0.99 0.00 0.00 108 Q 8.30 4.05 0.00 2.27 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.56 0.00 0.00 0.00 0.00 0.00 2.38 2.71 0.00 109 M 7.53 4.04 0.00 1.77 2.24 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.52 0.00 110 F 7.72 4.00 0.00 2.10 1.56 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 0.00 111 I 6.88 4.09 1.91 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 1.49 0.75 0.98 0.00 0.00 112 N 8.51 4.56 0.00 2.63 2.75 0.00 0.00 7.02 7.54 0.00 0.00 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 T 7.72 4.37 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 1.29 0.00 0.00 114 S 8.25 4.22 0.00 3.85 3.51 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 * Residues marked with a * may have inaccurate shift predictions.